Models, Molecular

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  Subject Areas on Research

  • "Active" conformation of an inactive semi-synthetic ribonuclease-S. 
  • "Parallel Iterative Reaction Path Optimization in ab initio Quantum Mechanical/Molecular Mechanical Modeling of Enzyme Reaction" 
  • (Aryloxy)aryl semicarbazones and related compounds: a novel class of anticonvulsant agents possessing high activity in the maximal electroshock screen. 
  • 2-, 5-, and 6-Halo-3-(2(S)-azetidinylmethoxy)pyridines: synthesis, affinity for nicotinic acetylcholine receptors, and molecular modeling. 
  • 2.3 Å resolution cryo-EM structure of human p97 and mechanism of allosteric inhibition. 
  • 3-Aminopyrrolidinone farnesyltransferase inhibitors: design of macrocyclic compounds with improved pharmacokinetics and excellent cell potency. 
  • 31P NMR probes of chemical dynamics: paramagnetic relaxation enhancement of the (1)H and (31)P NMR resonances of methyl phosphite and methylethyl phosphate anions by selected metal complexes. 
  • 4,4'-Unsymmetrically substituted 3,3'-biphenyl alpha helical proteomimetics as potential coactivator binding inhibitors. 
  • 5-substituted derivatives of 6-halogeno-3-((2-(S)-azetidinyl)methoxy)pyridine and 6-halogeno-3-((2-(S)-pyrrolidinyl)methoxy)pyridine with low picomolar affinity for alpha4beta2 nicotinic acetylcholine receptor and wide range of lipophilicity: potential probes for imaging with positron emission tomography. 
  • A 3.8 Å resolution cryo-EM structure of a small protein bound to an imaging scaffold. 
  • A Bayesian approach for determining protein side-chain rotamer conformations using unassigned NOE data. 
  • A Chlamydia effector combining deubiquitination and acetylation activities induces Golgi fragmentation. 
  • A DNA mimic: the structure and mechanism of action for the anti-repressor protein AbbA. 
  • A Farnesyltransferase Acts to Inhibit Ectopic Neurite Formation in C. elegans. 
  • A Flux Balance of Glucose Metabolism Clarifies the Requirements of the Warburg Effect. 
  • A High-Throughput Mutational Scan of an Intrinsically Disordered Acidic Transcriptional Activation Domain. 
  • A Molecular Model for Predicting Overall Survival in Patients with Metastatic Clear Cell Renal Carcinoma: Results from CALGB 90206 (Alliance). 
  • A Novel Phosphoregulatory Switch Controls the Activity and Function of the Major Catalytic Subunit of Protein Kinase A in Aspergillus fumigatus. 
  • A Scalable Synthesis of the Difluoromethyl-allo-threonyl Hydroxamate-Based LpxC Inhibitor LPC-058. 
  • A Therapeutic Antibody for Cancer, Derived from Single Human B Cells. 
  • A bacterial selection for the directed evolution of pyruvate aldolases. 
  • A bipartite interaction between Hsp70 and CHIP regulates ubiquitination of chaperoned client proteins. 
  • A code for RanGDP binding in ankyrin repeats defines a nuclear import pathway. 
  • A coding and non-coding transcriptomic perspective on the genomics of human metabolic disease. 
  • A common ankyrin-G-based mechanism retains KCNQ and NaV channels at electrically active domains of the axon. 
  • A comprehensive structure-function analysis of Arabidopsis SNI1 defines essential regions and transcriptional repressor activity. 
  • A core-weighted fitting method for docking atomic structures into low-resolution maps: application to cryo-electron microscopy. 
  • A crystal clear view of the beta2-adrenergic receptor. 
  • A designed glycoprotein analogue of Gc-MAF exhibits native-like phagocytic activity. 
  • A general method for constructing atomic-resolution RNA ensembles using NMR residual dipolar couplings: the basis for interhelical motions revealed. 
  • A geometric arrangement algorithm for structure determination of symmetric protein homo-oligomers from NOEs and RDCs. 
  • A graphical method for analyzing distance restraints using residual dipolar couplings for structure determination of symmetric protein homo-oligomers. 
  • A highly selective inhibitor of interleukin-1 receptor-associated kinases 1/4 (IRAK-1/4) delineates the distinct signaling roles of IRAK-1/4 and the TAK1 kinase. 
  • A hot oxidant, 3-NO2Y122 radical, unmasks conformational gating in ribonucleotide reductase. 
  • A kernel for open source drug discovery in tropical diseases. 
  • A kinesin motor in a force-producing conformation. 
  • A minimal TrpRS catalytic domain supports sense/antisense ancestry of class I and II aminoacyl-tRNA synthetases. 
  • A monoclonal antibody that targets a NaV1.7 channel voltage sensor for pain and itch relief. 
  • A multidisciplinary approach to probing enthalpy-entropy compensation and the interfacial mobility model. 
  • A nanoscale force probe for gauging intermolecular interactions. 
  • A new monofluorinated phosphatidylcholine forms interdigitated bilayers. 
  • A new structural state of myosin. 
  • A novel approach for characterizing protein ligand complexes: molecular basis for specificity of small-molecule Bcl-2 inhibitors. 
  • A novel beta-globin mutation, beta Durham-NC [beta 114 Leu-->Pro], produces a dominant thalassemia-like phenotype. 
  • A pH-gated conformational switch regulates the phosphatase activity of bifunctional HisKA-family histidine kinases. 
  • A peptide model of a protein folding intermediate. 
  • A potent superoxide dismutase mimic: manganese beta-octabromo-meso-tetrakis-(N-methylpyridinium-4-yl) porphyrin. 
  • A quantitative model predicts how m6A reshapes the kinetic landscape of nucleic acid hybridization and conformational transitions. 
  • A rationally-designed chimeric KDM1A/KDM1B histone demethylase tower domain deletion mutant retaining enzymatic activity. 
  • A self-assembling peptide acting as an immune adjuvant. 
  • A series of new organic-inorganic molybdenum arsenate complexes based on [(ZnO6)(As3O3)2Mo6O18]4- and [HxAs2Mo6O26](6-x)- clusters as SBUs. 
  • A single amino acid defines cross-species reactivity of tree shrew (Tupaia belangeri) CD1d to human invariant natural killer T (iNKT) cells. 
  • A slow, tight-binding inhibitor of the zinc-dependent deacetylase LpxC of lipid A biosynthesis with antibiotic activity comparable to ciprofloxacin. 
  • A statistical thermodynamic model of the protein ensemble. 
  • A structural basis for a phosphoramide mustard-induced DNA interstrand cross-link at 5'-d(GAC). 
  • A structural pathway for activation of the kinesin motor ATPase. 
  • A structure-based mechanism for drug binding by multidrug transporters. 
  • A surface of Escherichia coli sigma 70 required for promoter function and antitermination by phage lambda Q protein. 
  • A tale of tails: how histone tails mediate chromatin compaction in different salt and linker histone environments. 
  • A three-dimensional model of a unique proteinase inhibitor: alpha 2-macroglobulin. 
  • A trithiol bifunctional chelate for 72,77As: A matched pair theranostic complex with high in vivo stability. 
  • A unified model for de novo design of elastin-like polypeptides with tunable inverse transition temperatures. 
  • Ab initio QM/MM study shows there is no general acid in the reaction catalyzed by 4-oxalocrotonate tautomerase. 
  • Ab initio based calculations of electron-transfer rates in metalloproteins. 
  • Acid potentiation of the capsaicin receptor determined by a key extracellular site. 
  • Activation of Slo1 BK channels by Mg2+ coordinated between the voltage sensor and RCK1 domains. 
  • Activation-dependent conformational changes in {beta}-arrestin 2. 
  • Adapting the nudged elastic band method for determining minimum-energy paths of chemical reactions in enzymes. 
  • Adding a positive charge at residue 46 of Drosophila alcohol dehydrogenase increases cofactor specificity for NADP+. 
  • Additivity and the physical basis of multivalency effects: a thermodynamic investigation of the calcium EDTA interaction. 
  • Adhesin presentation in bacteria requires molecular chaperones and ushers. 
  • Advances in Understanding Stimulus-Responsive Phase Behavior of Intrinsically Disordered Protein Polymers. 
  • Advances, interactions, and future developments in the CNS, Phenix, and Rosetta structural biology software systems. 
  • Agonists of G-Protein-Coupled Odorant Receptors Are Predicted from Chemical Features. 
  • All-atom contacts: a new approach to structure validation. 
  • Allosteric actuation of inverse phase transition of a stimulus-responsive fusion polypeptide by ligand binding. 
  • Allosteric cooperation in a de novo-designed two-domain protein. 
  • Allosteric effects of external K+ ions mediated by the aspartate of the GYGD signature sequence in the Kv2.1 K+ channel. 
  • Allosteric nanobodies reveal the dynamic range and diverse mechanisms of G-protein-coupled receptor activation. 
  • Allosteric regulation of type I hexokinase: A site-directed mutational study indicating location of the functional glucose 6-phosphate binding site in the N-terminal half of the enzyme. 
  • Allosteric transition intermediates modelled by crosslinked haemoglobins. 
  • Alpha-carbon coordinates for bovine Cu,Zn superoxide dismutase. 
  • Altered decamer and nonamer from an HLA-A0201-restricted epitope of Survivin differentially stimulate T-cell responses in different individuals. 
  • Altered nucleotide-microtubule coupling and increased mechanical output by a kinesin mutant. 
  • Amino acid residues in thrombin-sensitive region and first epidermal growth factor domain of vitamin K-dependent protein S determining specificity of the activated protein C cofactor function. 
  • Amino acid substitution at peptide-binding pockets of HLA class I molecules increases risk of severe acute GVHD and mortality. 
  • Amino acids important in enzyme activity and dimer stability for Drosophila alcohol dehydrogenase. 
  • Amphiphilic four-helix bundle peptides designed for light-induced electron transfer across a soft interface. 
  • An Additional Ca2+ Binding Site Allosterically Controls TMEM16A Activation. 
  • An EcoRI-RsrI chimeric restriction endonuclease retains parental sequence specificity. 
  • An RNA tertiary switch by modifying how helices are tethered. 
  • An active site tyrosine influences the ability of the dimethyl sulfoxide reductase family of molybdopterin enzymes to reduce S-oxides. 
  • An algorithm for smoothly tessellating beta-sheet structures in proteins. 
  • An automated decision-tree approach to predicting protein interaction hot spots. 
  • An autoreactive antibody from an SLE/HIV-1 individual broadly neutralizes HIV-1. 
  • An autosomal genomic screen for dementia in an extended Amish family. 
  • An epilepsy/dyskinesia-associated mutation enhances BK channel activation by potentiating Ca2+ sensing. 
  • An estimate to the first approximation of microtubule rupture force. 
  • An experimental and theoretical study of ring closing dynamics in HN3. 
  • An experimental study of GFP-based FRET, with application to intrinsically unstructured proteins. 
  • An individualized predictor of health and disease using paired reference and target samples. 
  • An investigation of hemopexin redox properties by spectroelectrochemistry: biological relevance for heme uptake. 
  • An overview of naturally occurring histone deacetylase inhibitors. 
  • Analysis of V2 antibody responses induced in vaccinees in the ALVAC/AIDSVAX HIV-1 vaccine efficacy trial. 
  • Analysis of allosteric signal transduction mechanisms in an engineered fluorescent maltose biosensor. 
  • Analysis of experimental time-resolved crystallographic data by singular value decomposition. 
  • Analytic gradients, geometry optimization and excited state potential energy surfaces from the particle-particle random phase approximation. 
  • Analytical Debye-Huckel model for electrostatic potentials around dissolved DNA. 
  • Analytical trapping: extraction of time-independent structures from time-dependent crystallographic data. 
  • Angiostatin-like activity of a monoclonal antibody to the catalytic subunit of F1F0 ATP synthase. 
  • Anti-AIDS agents 79. Design, synthesis, molecular modeling and structure-activity relationships of novel dicamphanoyl-2',2'-dimethyldihydropyranochromone (DCP) analogs as potent anti-HIV agents. 
  • Anti-U1A monoclonal antibodies recognize unique epitope targets of U1A which are involved in the binding of U1 RNA. 
  • Anti-sm autoantibodies in systemic lupus target highly basic surface structures of complexed spliceosomal autoantigens. 
  • Antibodies VRC01 and 10E8 neutralize HIV-1 with high breadth and potency even with Ig-framework regions substantially reverted to germline. 
  • Antidote control of aptamer therapeutics: the road to a safer class of drug agents. 
  • Antiidiotypic antibody recognizes an amiloride binding domain within the alpha subunit of the epithelial Na+ channel. 
  • Antitermination by bacteriophage lambda Q protein. 
  • Antitumor Agents, CLI. Bis(helenalinyl)Glutarate and Bis(isoalantodiol-B)-Glutarate, Potent Inhibitors of Human DNA Topoisomerase II 
  • Antitumor Agents. 152. In Vitro Inhibitory Activity of Etoposide Derivative NPF Against Human Tumor Cell Lines and a Study of its Conformation by X-Ray Crystallography, Molecular Modeling, and NMR Spectroscopy 
  • Antitumor agents. 172. Synthesis and biological evaluation of novel deacetamidothiocolchicin-7-ols and ester analogs as antitubulin agents. 
  • Antitumor agents. Part 215: antitubulin effects of cytotoxic B-ring modified allocolchicinoids. 
  • Antiulcer Agents. 4. Conformational Considerations and the Antiulcer Activity of Substituted Imidazol[1,2-α]pyridines and Related Analogs 
  • Application of chemoproteomics to drug discovery: identification of a clinical candidate targeting hsp90. 
  • Aqueous solution speciation of Fe(III) complexes with dihydroxamate siderophores alcaligin and rhodotorulic acid and synthetic analogues using electrospray ionization mass spectrometry. 
  • Argininamide binding arrests global motions in HIV-1 TAR RNA: comparison with Mg2+-induced conformational stabilization. 
  • Asparagine and glutamine rotamers: B-factor cutoff and correction of amide flips yield distinct clustering. 
  • Asparagine and glutamine: using hydrogen atom contacts in the choice of side-chain amide orientation. 
  • Assessing Possible Mechanisms of Micrometer-Scale Electron Transfer in Heme-Free Geobacter sulfurreducens Pili. 
  • Association of TP53 mutational status and gender with survival after adjuvant treatment for stage III colon cancer: results of CALGB 89803. 
  • Asteropsin A: an unusual cystine-crosslinked peptide from porifera enhances neuronal Ca2+ influx. 
  • Atomic Resolution Cryo-EM Structure of β-Galactosidase. 
  • Atomic description of the immune complex involved in heparin-induced thrombocytopenia. 
  • Atomic distance estimates from disulfides and high-affinity metal-binding sites in a K+ channel pore. 
  • Atomic force microscopy captures folded ribosome bound nascent chains. 
  • Atomic levers control pyranose ring conformations. 
  • Atomic resolution cryo-EM structure of a native-like CENP-A nucleosome aided by an antibody fragment. 
  • Atomic structures of tubulin and FtsZ. 
  • Autocatalytic intramolecular isopeptide bond formation in gram-positive bacterial pili: a QM/MM simulation. 
  • Autofix for backward-fit sidechains: using MolProbity and real-space refinement to put misfits in their place. 
  • Automated identification of elemental ions in macromolecular crystal structures. 
  • BBK* (Branch and Bound Over K*): A Provable and Efficient Ensemble-Based Protein Design Algorithm to Optimize Stability and Binding Affinity Over Large Sequence Spaces. 
  • Bacterial actin homolog ParM: arguments for an apolar, antiparallel double helix. 
  • Base-pairing potential identified by in vitro selection predicts the kinked RNA backbone observed in the crystal structure of the alfalfa mosaic virus RNA-coat protein complex. 
  • Batrachotoxin, pyrethroids, and BTG 502 share overlapping binding sites on insect sodium channels. 
  • Bayesian segmentation of protein secondary structure. 
  • Betulinic acid derivatives that target gp120 and inhibit multiple genetic subtypes of human immunodeficiency virus type 1. 
  • Bidirectional power stroke by ncd kinesin. 
  • Binding of warfarin influences the acid-base equilibrium of H242 in sudlow site I of human serum albumin. 
  • Binding site for C4b-binding protein in vitamin K-dependent protein S fully contained in carboxy-terminal laminin-G-type repeats. A study using recombinant factor IX-protein S chimeras and surface plasmon resonance. 
  • Binding site for human immunodeficiency virus coat protein gp120 is located in the NH2-terminal region of T4 (CD4) and requires the intact variable-region-like domain. 
  • Binding site on human immunoglobulin G for the affinity ligand HWRGWV. 
  • Biochemistry and theory of proton-coupled electron transfer. 
  • Bioinformatic design of A-kinase anchoring protein-in silico: a potent and selective peptide antagonist of type II protein kinase A anchoring. 
  • Biomimetic Hydrogels with Immobilized EphrinA1 for Therapeutic Angiogenesis 
  • Blood flow regulation by S-nitrosohemoglobin in the physiological oxygen gradient. 
  • Borate as a synergistic anion for Marinobacter algicola ferric binding protein, FbpA: a role for boron in iron transport in marine life. 
  • Bordetella pertussis FbpA binds both unchelated iron and iron siderophore complexes. 
  • Boronic acid porphyrin receptor for ginsenoside sensing. 
  • Breaking Cryo-EM Resolution Barriers to Facilitate Drug Discovery. 
  • Broad Analysis of Vicinal Disulfides: Occurrences, Conformations with Cis or with Trans Peptides, and Functional Roles Including Sugar Binding. 
  • Broad and potent HIV-1 neutralization by a human antibody that binds the gp41-gp120 interface. 
  • Broad and potent neutralization of HIV-1 by a gp41-specific human antibody. 
  • Broad neutralization of H1 and H3 viruses by adjuvanted influenza HA stem vaccines in nonhuman primates. 
  • Broadly Neutralizing Human Immunodeficiency Virus Type 1 Antibody Gene Transfer Protects Nonhuman Primates from Mucosal Simian-Human Immunodeficiency Virus Infection. 
  • Broadly neutralizing human antibody that recognizes the receptor-binding pocket of influenza virus hemagglutinin. 
  • BtubA-BtubB heterodimer is an essential intermediate in protofilament assembly. 
  • C-terminally truncated derivatives of Escherichia coli Hfq are proficient in riboregulation. 
  • C2-symmetrical tetrahydroxyazepanes as inhibitors of glycosidases and HIV/FIV proteases. 
  • CD277 is a negative co-stimulatory molecule universally expressed by ovarian cancer microenvironmental cells. 
  • CD6-ligand interactions: a paradigm for SRCR domain function? 
  • Ca(v)3.1 splice variant expression during neuronal differentiation of Y-79 retinoblastoma cells. 
  • Calcineurin orchestrates dimorphic transitions, antifungal drug responses and host-pathogen interactions of the pathogenic mucoralean fungus Mucor circinelloides. 
  • Calcineurin. Structure, function, and inhibition. 
  • Calcium binding domains and calcium-induced conformational transition of SPARC/BM-40/osteonectin, an extracellular glycoprotein expressed in mineralized and nonmineralized tissues. 
  • Calcium channel function regulated by the SH3-GK module in beta subunits. 
  • Calculating solution redox free energies with ab initio quantum mechanical/molecular mechanical minimum free energy path method. 
  • Calmodulin and CaMKII as molecular switches for cardiac ion channels. 
  • Calmodulin binds to caldesmon in an antiparallel manner. 
  • Calmodulin structure refined at 1.7 A resolution. 
  • Capturing the mechanical unfolding pathway of a large protein with coiled-coil probes. 
  • Cardiotonic agents. 8. Selective inhibitors of adenosine 3',5'-cyclic phosphate phosphodiesterase III. Elaboration of a five-point model for positive inotropic activity. 
  • Catalytic mechanism of 4-oxalocrotonate tautomerase: significances of protein-protein interactions on proton transfer pathways. 
  • Catalytic strategies of the hepatitis delta virus ribozymes. 
  • Cation-Activated Avidity for Rapid Reconfiguration of DNA Nanodevices. 
  • Cell-autonomous adiposity through increased cell surface GLUT4 due to ankyrin-B deficiency. 
  • Chain stiffness and attachment-dependent attraction between polyelectrolyte-grafted colloids. 
  • Challenges encountered during development of Mn porphyrin-based, potent redox-active drug and superoxide dismutase mimic, MnTnBuOE-2-PyP5+, and its alkoxyalkyl analogues. 
  • Characterization of ATP-independent ERK inhibitors identified through in silico analysis of the active ERK2 structure. 
  • Characterization of a Large Panel of Rabbit Monoclonal Antibodies against HIV-1 gp120 and Isolation of Novel Neutralizing Antibodies against the V3 Loop. 
  • Characterization of key residues in the subdomain encoded by exons 8 and 9 of human inducible nitric oxide synthase: a critical role for Asp-280 in substrate binding and subunit interactions. 
  • Characterization of the Adeno-Associated Virus 1 and 6 Sialic Acid Binding Site. 
  • Characterization of the cysJIH regions of Salmonella typhimurium and Escherichia coli B. DNA sequences of cysI and cysH and a model for the siroheme-Fe4S4 active center of sulfite reductase hemoprotein based on amino acid homology with spinach nitrite reductase. 
  • Characterizing Watson-Crick versus Hoogsteen Base Pairing in a DNA-Protein Complex Using Nuclear Magnetic Resonance and Site-Specifically 13C- and 15N-Labeled DNA. 
  • Characterizing complex dynamics in the transactivation response element apical loop and motional correlations with the bulge by NMR, molecular dynamics, and mutagenesis. 
  • Charge Transport across DNA-Based Three-Way Junctions. 
  • Charged fullerenes as high-capacity hydrogen storage media. 
  • Chasing acyl carrier protein through a catalytic cycle of lipid A production. 
  • Chemical synthesis of highly congested gp120 V1V2 N-glycopeptide antigens for potential HIV-1-directed vaccines. 
  • Chemistry and biology of the ramoplanin family of peptide antibiotics. 
  • Chemistry and radiochemistry of As, Re and Rh isotopes relevant to radiopharmaceutical applications: high specific activity radionuclides for imaging and treatment. 
  • Chiral action at a distance: remote substituent effects on the optical activity of calyculins A and B. 
  • Chiral polyoxometalate-induced enantiomerically 3D architectures: a new route for synthesis of high-dimensional chiral compounds. 
  • Choline Acetyltransferase Mutations Causing Congenital Myasthenic Syndrome: Molecular Findings and Genotype-Phenotype Correlations. 
  • Chromophore conformation and the evolution of tertiary structural changes in photoactive yellow protein. 
  • Chutes and Ladders: the search for protein kinases that act on AMPK. 
  • Classification and 3D averaging with missing wedge correction in biological electron tomography. 
  • Cloning and expression of a human kidney cDNA for an alpha 2-adrenergic receptor subtype. 
  • Cloning and sequencing of V genes from anti-osteosarcoma monoclonal antibodies TP-1 and TP-3: location of lysine residues and implications for radiolabeling. 
  • Clustered charged amino acids of human adenosine deaminase comprise a functional epitope for binding the adenosine deaminase complexing protein CD26/dipeptidyl peptidase IV. 
  • Co-evolution of a broadly neutralizing HIV-1 antibody and founder virus. 
  • Coarse-grained modeling of allosteric regulation in protein receptors. 
  • Cocrystal structure of an editing complex of Klenow fragment with DNA. 
  • Cocrystal structure of protein farnesyltransferase complexed with a farnesyl diphosphate substrate. 
  • Coefficient of restitution for wet particles. 
  • Collision-induced dissociative chemical cross-linking reagents and methodology: Applications to protein structural characterization using tandem mass spectrometry analysis. 
  • Combining model results and monitoring data for water quality assessment. 
  • Comparative analysis of LIN28-RNA binding sites identified at single nucleotide resolution. 
  • Comparison of the functional differences for the homologous residues within the carboxy phosphate and carbamate domains of carbamoyl phosphate synthetase. 
  • Comparison of the interactions of transferrin receptor and transferrin receptor 2 with transferrin and the hereditary hemochromatosis protein HFE. 
  • Completeness of HIV-1 Envelope Glycan Shield at Transmission Determines Neutralization Breadth. 
  • Complex microparticle architectures from stimuli-responsive intrinsically disordered proteins. 
  • Complexation of peptidoglycan intermediates by the lipoglycodepsipeptide antibiotic ramoplanin: minimal structural requirements for intermolecular complexation and fibril formation. 
  • Comprehensive Molecular Portraits of Invasive Lobular Breast Cancer. 
  • Comprehensive genomic characterization defines human glioblastoma genes and core pathways. 
  • Computation-guided backbone grafting of a discontinuous motif onto a protein scaffold. 
  • Computational Methods for RNA Structure Validation and Improvement. 
  • Computational crystallization. 
  • Computational de novo design and characterization of a four-helix bundle protein that selectively binds a nonbiological cofactor. 
  • Computational de novo design and characterization of a protein that selectively binds a highly hyperpolarizable abiological chromophore. 
  • Computational design and elaboration of a de novo heterotetrameric alpha-helical protein that selectively binds an emissive abiological (porphinato)zinc chromophore. 
  • Computational design of a Zn2+ receptor that controls bacterial gene expression. 
  • Computational design of a biologically active enzyme. 
  • Computational design of high-affinity epitope scaffolds by backbone grafting of a linear epitope. 
  • Computational design of protein antigens that interact with the CDR H3 loop of HIV broadly neutralizing antibody 2F5. 
  • Computational design of receptor and sensor proteins with novel functions. 
  • Computational design of receptors for an organophosphate surrogate of the nerve agent soman. 
  • Computational study on the relative acidity of acetic acid by the qm/mm method combined with the theory of energy representation 
  • Computing van der Waals energies in the context of the rotamer approximation. 
  • Concerted motions in HIV-1 TAR RNA may allow access to bound state conformations: RNA dynamics from NMR residual dipolar couplings. 
  • Concerted proton transfer mechanism of Clostridium thermocellum ribose-5-phosphate isomerase. 
  • Conductive junctions with parallel graphene sheets. 
  • Confirmation of the involvement of protein domain movement during the catalytic cycle of the cytochrome bc1 complex by the formation of an intersubunit disulfide bond between cytochrome b and the iron-sulfur protein. 
  • Conformation guides molecular efficacy in docking screens of activated β-2 adrenergic G protein coupled receptor. 
  • Conformation-assisted inhibition of protein-tyrosine phosphatase-1B elicits inhibitor selectivity over T-cell protein-tyrosine phosphatase. 
  • Conformational Analysis and Molecular Modeling of 1-Phenyl-, 4-Phenyl-, and 1-Benzyl-1,2,3,4-tetrahydroiso-quinolines as D1 Dopamine Receptor Ligands 
  • Conformational analysis, pharmacophore identification, and comparative molecular field analysis of ligands for the neuromodulatory sigma 3 receptor. 
  • Conformational changes in the photocycle of Anabaena sensory rhodopsin: absence of the Schiff base counterion protonation signal. 
  • Conformational changes of FtsZ reported by tryptophan mutants. 
  • Conformational changes of beta-lactoglobulin induced by anionic phospholipid. 
  • Conformational changes of purine repressor DNA-binding domain upon complexation with DNA. 
  • Conformational considerations in the design of dual antagonists of platelet-activating factor (PAF) and histamine. 
  • Conformational kinetics reveals affinities of protein conformational states. 
  • Conformational plasticity in the selectivity filter of the TRPV2 ion channel. 
  • Conformational preferences of a chimeric peptide HIV-1 immunogen from the C4-V3 domains of gp120 envelope protein of HIV-1 CAN0A based on solution NMR: comparison to a related immunogenic peptide from HIV-1 RF. 
  • Conformationally selective RNA aptamers allosterically modulate the β2-adrenoceptor. 
  • Conserved immunoglobulin-like features in a family of periplasmic pilus chaperones in bacteria. 
  • Conserved thermodynamic contributions of backbone hydrogen bonds in a protein fold. 
  • Constructing RNA dynamical ensembles by combining MD and motionally decoupled NMR RDCs: new insights into RNA dynamics and adaptive ligand recognition. 
  • Constructing atomic-resolution RNA structural ensembles using MD and motionally decoupled NMR RDCs. 
  • Construction of a family of Cys2His2 zinc binding sites in the hydrophobic core of thioredoxin by structure-based design. 
  • Construction of a fluorescent biosensor family. 
  • Construction of a novel redox protein by rational design: conversion of a disulfide bridge into a mononuclear iron-sulfur center. 
  • Construction of new ligand binding sites in proteins of known structure. I. Computer-aided modeling of sites with pre-defined geometry. 
  • Construction of new ligand binding sites in proteins of known structure. II. Grafting of a buried transition metal binding site into Escherichia coli thioredoxin. 
  • Continuous Interdomain Orientation Distributions Reveal Components of Binding Thermodynamics. 
  • Control of Skeletal Muscle Cell Growth and Size Through Adhesion GPCRs. 
  • Control of a biomolecular motor-powered nanodevice with an engineered chemical switch. 
  • Control of protein-ligand recognition using a stimuli-responsive polymer. 
  • Control of the orientational order and nonlinear optical response of the "push-pull" chromophore RuPZn via specific incorporation into densely packed monolayer ensembles of an amphiphilic four-helix bundle peptide: characterization of the peptide-chromophore complexes. 
  • Controlling the SARS-CoV-2 spike glycoprotein conformation. 
  • Convergent evolution of escape from hepaciviral antagonism in primates. 
  • Conversion of a maltose receptor into a zinc biosensor by computational design. 
  • Conversion of protein farnesyltransferase to a geranylgeranyltransferase. 
  • Conversion of protein phosphatase 1 catalytic subunit to a Mn(2+)-dependent enzyme impairs its regulation by inhibitor 1. 
  • Converting a maltose receptor into a nascent binuclear copper oxygenase by computational design. 
  • Cooperation of B cell lineages in induction of HIV-1-broadly neutralizing antibodies. 
  • Copper shares a piece of the pi. 
  • Core chemotype diversification in the HIV-1 entry inhibitor class using field-based bioisosteric replacement. 
  • Counterions influence reactivity of metal ions with cysteinyldopa model compounds. 
  • Coupling coherence distinguishes structure sensitivity in protein electron transfer. 
  • Coupling spatial segregation with synthetic circuits to control bacterial survival. 
  • Crucial role of copper in detection of metal-coordinating odorants. 
  • Cryo-EM Structures Reveal Mechanism and Inhibition of DNA Targeting by a CRISPR-Cas Surveillance Complex. 
  • Cryo-EM Structures of the Magnesium Channel CorA Reveal Symmetry Break upon Gating. 
  • Cryo-EM model validation recommendations based on outcomes of the 2019 EMDataResource challenge. 
  • Cryo-EM structure of human rhodopsin bound to an inhibitory G protein. 
  • Cryo-EM structures of the SARS-CoV-2 endoribonuclease Nsp15 reveal insight into nuclease specificity and dynamics. 
  • Cryo-electron Microscopy Structures of Chimeric Hemagglutinin Displayed on a Universal Influenza Vaccine Candidate. 
  • Cryo-electron microscopy structure of the TRPV2 ion channel. 
  • Cryo-electron microscopy structure of the lysosomal calcium-permeable channel TRPML3. 
  • Crystal and molecular structures of ionophore-siderophore host-guest supramolecular assemblies relevant to molecular recognition. 
  • Crystal structure and sequence-dependent conformation of the A.G mispaired oligonucleotide d(CGCAAGCTGGCG). 
  • Crystal structure of DMSO reductase: redox-linked changes in molybdopterin coordination. 
  • Crystal structure of HPr kinase/phosphatase from Mycoplasma pneumoniae. 
  • Crystal structure of LacI member, PurR, bound to DNA: minor groove binding by alpha helices. 
  • Crystal structure of MtaN, a global multidrug transporter gene activator. 
  • Crystal structure of a concentrative nucleoside transporter from Vibrio cholerae at 2.4 Å. 
  • Crystal structure of a non-neutralizing antibody to the HIV-1 gp41 membrane-proximal external region. 
  • Crystal structure of a photoactive yellow protein from a sensor histidine kinase: conformational variability and signal transduction. 
  • Crystal structure of a pol alpha family DNA polymerase from the hyperthermophilic archaeon Thermococcus sp. 9 degrees N-7. 
  • Crystal structure of a thermostable Bacillus DNA polymerase I large fragment at 2.1 A resolution. 
  • Crystal structure of activated CheY. Comparison with other activated receiver domains. 
  • Crystal structure of alkaline phosphatase from the Antarctic bacterium TAB5. 
  • Crystal structure of an Escherichia coli Hfq Core (residues 2-69)-DNA complex reveals multifunctional nucleic acid binding sites. 
  • Crystal structure of an RNA aptamer bound to thrombin. 
  • Crystal structure of an activated response regulator bound to its target. 
  • Crystal structure of bovine Cu,Zn superoxide dismutase at 3 A resolution: chain tracing and metal ligands. 
  • Crystal structure of deoxygenated Limulus polyphemus subunit II hemocyanin at 2.18 A resolution: clues for a mechanism for allosteric regulation. 
  • Crystal structure of farnesyl protein transferase complexed with a CaaX peptide and farnesyl diphosphate analogue. 
  • Crystal structure of ferrioxamine B: a comparative analysis and implications for molecular recognition. 
  • Crystal structure of human type III collagen Gly991-Gly1032 cystine knot-containing peptide shows both 7/2 and 10/3 triple helical symmetries. 
  • Crystal structure of inositol polyphosphate 1-phosphatase at 2.3-A resolution. 
  • Crystal structure of molybdopterin synthase and its evolutionary relationship to ubiquitin activation. 
  • Crystal structure of protein farnesyltransferase at 2.25 angstrom resolution. 
  • Crystal structure of the MOP flippase MurJ in an inward-facing conformation. 
  • Crystal structure of the gephyrin-related molybdenum cofactor biosynthesis protein MogA from Escherichia coli. 
  • Crystal structure of the human LRH-1 DBD-DNA complex reveals Ftz-F1 domain positioning is required for receptor activity. 
  • Crystal structure of the lactose operon repressor and its complexes with DNA and inducer. 
  • Crystal structure of the major histocompatibility complex class I H-2Kb molecule containing a single viral peptide: implications for peptide binding and T-cell receptor recognition. 
  • Crystal structure of the phage T4 recombinase UvsX and its functional interaction with the T4 SF2 helicase UvsW. 
  • Crystal structure of the promutagen O4-methylthymidine: importance of the anti conformation of the O(4) methoxy group and possible mispairing of O4-methylthymidine with guanine. 
  • Crystal structure of the ternary complex of a NaV C-terminal domain, a fibroblast growth factor homologous factor, and calmodulin. 
  • Crystal structure of the transcription activator BmrR bound to DNA and a drug. 
  • Crystal structure, conformational fixation and entry-related interactions of mature ligand-free HIV-1 Env. 
  • Crystal structures of SarA, a pleiotropic regulator of virulence genes in S. aureus. 
  • Crystal structures of T. brucei MRP1/MRP2 guide-RNA binding complex reveal RNA matchmaking mechanism. 
  • Crystal structures of Toxoplasma gondii adenosine kinase reveal a novel catalytic mechanism and prodrug binding. 
  • Crystal structures of Toxoplasma gondii adenosine kinase reveal a novel catalytic mechanism and prodrug binding. 
  • Crystal structures of Toxoplasma gondii uracil phosphoribosyltransferase reveal the atomic basis of pyrimidine discrimination and prodrug binding. 
  • Crystal structures of adenine phosphoribosyltransferase from Leishmania donovani. 
  • Crystal structures of the Klenow fragment of DNA polymerase I complexed with deoxynucleoside triphosphate and pyrophosphate. 
  • Crystal structures of the active and alloxanthine-inhibited forms of xanthine dehydrogenase from Rhodobacter capsulatus. 
  • Crystal structures of the membrane-binding C2 domain of human coagulation factor V. 
  • Crystallization of asymmetric patchy models for globular proteins in solution 
  • Crystallization of succinylated concanavalin A bound to a synthetic bivalent ligand and preliminary structural analysis. 
  • Crystallization, preliminary X-ray analysis and biophysical characterization of HPr kinase/phosphatase of Mycoplasma pneumoniae. 
  • Crystallographic analysis of CaaX prenyltransferases complexed with substrates defines rules of protein substrate selectivity. 
  • Crystallographic analysis reveals that anticancer clinical candidate L-778,123 inhibits protein farnesyltransferase and geranylgeranyltransferase-I by different binding modes. 
  • Crystallographic model validation: from diagnosis to healing. 
  • Curved FtsZ protofilaments generate bending forces on liposome membranes. 
  • Cyanogenic glycosides and menisdaurin from Guazuma ulmifolia, Ostrya virgininana, Tiquilia plicata and Tiquilia canescens. 
  • Cyclization/hydrosilylation of functionalized 1,6-diynes catalyzed by cationic platinum complexes containing bidentate nitrogen ligands. 
  • DNA mismatches reveal conformational penalties in protein-DNA recognition. 
  • DNA-XPA interactions: a (31)P NMR and molecular modeling study of dCCAATAACC association with the minimal DNA-binding domain (M98-F219) of the nucleotide excision repair protein XPA. 
  • DNA: wire or insulator? 
  • De novo design and molecular assembly of a transmembrane diporphyrin-binding protein complex. 
  • De novo design of a hyperstable non-natural protein-ligand complex with sub-Å accuracy. 
  • De novo design of a single-chain diphenylporphyrin metalloprotein. 
  • De novo design, expression, and characterization of Felix: a four-helix bundle protein of native-like sequence. 
  • DeSiphering receptor core-induced and ligand-dependent conformational changes in arrestin via genetic encoded trimethylsilyl 1H-NMR probe. 
  • Deciphering the molecular basis of multidrug recognition: crystal structures of the Staphylococcus aureus multidrug binding transcription regulator QacR. 
  • Decoy mRNAs reduce beta-amyloid precursor protein mRNA in neuronal cells. 
  • Defects in RGS9 or its anchor protein R9AP in patients with slow photoreceptor deactivation. 
  • Defining G protein beta gamma specificity for effector recognition. 
  • Defining an antigenic epitope on platelet factor 4 associated with heparin-induced thrombocytopenia. 
  • Defining fibronectin's cell adhesion synergy site by site-directed mutagenesis. 
  • Definition of a metal-dependent/Li(+)-inhibited phosphomonoesterase protein family based upon a conserved three-dimensional core structure. 
  • Definition of cytochrome c binding domains by chemical modification. Interaction of horse cytochrome c with beef sulfite oxidase and analysis of steady state kinetics. 
  • Definition of the molecular basis for estrogen receptor-related receptor-alpha-cofactor interactions. 
  • Describing patterns of protein tertiary structure. 
  • Design and characterization of a peptide mimotope of the HIV-1 gp120 bridging sheet. 
  • Design and synthesis of human immunodeficiency virus entry inhibitors: sulfonamide as an isostere for the alpha-ketoamide group. 
  • Design and synthesis of naphthoquinone derivatives as antiproliferative agents and 20S proteasome inhibitors. 
  • Design of a calcium-binding protein with desired structure in a cell adhesion molecule. 
  • Design, expression, and immunogenicity of a soluble HIV trimeric envelope fragment adopting a prefusion gp41 configuration. 
  • Design, synthesis and discovery of picomolar selective α4β2 nicotinic acetylcholine receptor ligands. 
  • Design, synthesis, and evaluation of diarylpyridines and diarylanilines as potent non-nucleoside HIV-1 reverse transcriptase inhibitors. 
  • Designing an extracellular matrix protein with enhanced mechanical stability. 
  • Detection and characterization of xenon-binding sites in proteins by 129Xe NMR spectroscopy. 
  • Determinants of CD4 independence for a human immunodeficiency virus type 1 variant map outside regions required for coreceptor specificity. 
  • Determinants of Photolyase's DNA Repair Mechanism in Mesophiles and Extremophiles. 
  • Determinants of Tenascin-C and HIV-1 envelope binding and neutralization. 
  • Determinants of backbone dynamics in native BPTI: cooperative influence of the 14-38 disulfide and the Tyr35 side-chain. 
  • Determination and analysis of the 2 A-structure of copper, zinc superoxide dismutase. 
  • Determination of molecular structures of HIV envelope glycoproteins using cryo-electron tomography and automated sub-tomogram averaging. 
  • Determining stoichiometry in homomultimeric nucleic acid complexes using magnetic field induced residual dipolar couplings. 
  • Development of a Grp94 inhibitor. 
  • Development of mammalian serum albumin affinity purification media by peptide phage display. 
  • Development of novel tumor imaging agents with phage-display combinatorial peptide libraries. 
  • Developmental Pathway of the MPER-Directed HIV-1-Neutralizing Antibody 10E8. 
  • Diarylaniline derivatives as a distinct class of HIV-1 non-nucleoside reverse transcriptase inhibitors. 
  • Differences in hydrocarbon chain tilt between hydrated phosphatidylethanolamine and phosphatidylcholine bilayers. A molecular packing model. 
  • Different structural changes occur in blue- and green-proteorhodopsins during the primary photoreaction. 
  • Differential Regulation of 6- and 7-Transmembrane Helix Variants of μ-Opioid Receptor in Response to Morphine Stimulation. 
  • Differential activation of nitric-oxide synthase isozymes by calmodulin-troponin C chimeras. 
  • Diminished class II-associated Ii peptide binding to the juvenile dermatomyositis HLA-DQ alpha 1*0501/DQ beta 1*0301 molecule. 
  • Diphenhydramine increases the therapeutic window for platinum drugs by simultaneously sensitizing tumor cells and protecting normal cells. 
  • Direct analysis of backbone-backbone hydrogen bond formation in protein folding transition states. 
  • Direct interaction between HLA-B and carbamazepine activates T cells in patients with Stevens-Johnson syndrome. 
  • Direct observation of multimer stabilization in the mechanical unfolding pathway of a protein undergoing oligomerization. 
  • Direct visualization of asymmetric adenine-nucleotide-induced conformational changes in MutL alpha. 
  • Directed evolution of a new catalytic site in 2-keto-3-deoxy-6-phosphogluconate aldolase from Escherichia coli. 
  • Directed evolution of a pyruvate aldolase to recognize a long chain acyl substrate. 
  • Directionality and processivity of molecular motors. 
  • Discovery and Optimization of a Porcupine Inhibitor. 
  • Discovery and characterization of small molecules targeting the DNA-binding ETS domain of ERG in prostate cancer. 
  • Discovery and characterization of small molecules that target the GTPase Ral. 
  • Discovery of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidines: potent inhibitors of the IGF-1R receptor tyrosine kinase. 
  • Discovery of 5-[[4-[(2,3-dimethyl-2H-indazol-6-yl)methylamino]-2-pyrimidinyl]amino]-2-methyl-benzenesulfonamide (Pazopanib), a novel and potent vascular endothelial growth factor receptor inhibitor. 
  • Discovery of 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide (BMS-986142): A Reversible Inhibitor of Bruton's Tyrosine Kinase (BTK) Conformationally Constrained by Two Locked Atropisomers. 
  • Discovery of a Novel Series of Tricyclic Oxadiazine 4a-Methyl Esters Based on Indoxacarb as Potential Sodium Channel Blocker/Modulator Insecticides. 
  • Discovery of novel bacterial elongation condensing enzyme inhibitors by virtual screening. 
  • Discovery of novel ligands for mouse olfactory receptor MOR42-3 using an in silico screening approach and in vitro validation. 
  • Discovery of novel non-covalent inhibitors selective to the β5-subunit of the human 20S proteasome. 
  • Discovery of selective bioactive small molecules by targeting an RNA dynamic ensemble. 
  • Discovery of structurally diverse natural product antagonists of chemokine receptor CXCR3. 
  • Discovery of substituted 4-(pyrazol-4-yl)-phenylbenzodioxane-2-carboxamides as potent and highly selective Rho kinase (ROCK-II) inhibitors. 
  • Discrete fracture patterns of virus shells reveal mechanical building blocks. 
  • Disease-causing mutations in exon 11 of the medium-chain acyl-CoA dehydrogenase gene. 
  • Disruption of the HIV-1 Envelope allosteric network blocks CD4-induced rearrangements. 
  • Dissecting the Roles of the Calcineurin Pathway in Unisexual Reproduction, Stress Responses, and Virulence in Cryptococcus deneoformans. 
  • Dissection of the protein G B1 domain binding site for human IgG Fc fragment. 
  • Dissociation of bacteriophage T4 DNA polymerase and its processivity clamp after completion of Okazaki fragment synthesis. 
  • Distance-independent charge recombination kinetics in cytochrome c-cytochrome c peroxidase complexes: compensating changes in the electronic coupling and reorganization energies. 
  • Distinct neurological disorders with ATP1A3 mutations. 
  • Distinct properties and advantages of a novel peroxisome proliferator-activated protein [gamma] selective modulator. 
  • Distinct roles for β-arrestin2 and arrestin-domain-containing proteins in β2 adrenergic receptor trafficking. 
  • Divergence in DNA Specificity among Paralogous Transcription Factors Contributes to Their Differential In Vivo Binding. 
  • Doing molecular biophysics: finding, naming, and picturing signal within complexity. 
  • Domain prediction with probabilistic directional context. 
  • Domain unfolding plays a role in superfibronectin formation. 
  • Domain-elongation NMR spectroscopy yields new insights into RNA dynamics and adaptive recognition. 
  • Downhill kinetics of biomolecular interface binding: globally connected scenario. 
  • Drosophila PIWI associates with chromatin and interacts directly with HP1a. 
  • Drosophila crinkled, mutations of which disrupt morphogenesis and cause lethality, encodes fly myosin VIIA. 
  • Drug design from the cryptic inhibitor envelope. 
  • Dual protein farnesyltransferase-geranylgeranyltransferase-I inhibitors as potential cancer chemotherapeutic agents. 
  • Dynamic docking and electron-transfer between cytochrome b5 and a suite of myoglobin surface-charge mutants. Introduction of a functional-docking algorithm for protein-protein complexes. 
  • Dynamics of Forced Nucleosome Unraveling and Role of Nonuniform Histone-DNA Interactions 
  • Dynamics of backbone conformational heterogeneity in Bacillus subtilis ribonuclease P protein. 
  • Early neutralizing IgG response to Chikungunya virus in infected patients targets a dominant linear epitope on the E2 glycoprotein. 
  • Effect of anti-acetylcholine receptor Fab fragments from goats on functional membrane-bound receptor. 
  • Effect of famoxadone on photoinduced electron transfer between the iron-sulfur center and cytochrome c1 in the cytochrome bc1 complex. 
  • Effect of natural mutations of SARS-CoV-2 on spike structure, conformation, and antigenicity. 
  • Effect of protein fusion on the transition temperature of an environmentally responsive elastin-like polypeptide: a role for surface hydrophobicity? 
  • Effects of ligand binding on the mechanical properties of ankyrin repeat protein gankyrin. 
  • Efficient estimation of contact probabilities from inter-bead distance distributions in simulated polymer chains. 
  • Efficient global biopolymer sampling with end-transfer configurational bias Monte Carlo. 
  • Elastic properties of single amylose chains in water: a quantum mechanical and AFM study. 
  • Elastic response, buckling, and instability of microtubules under radial indentation. 
  • Elastin-like polypeptides as models of intrinsically disordered proteins. 
  • Electron microscopy and hydrodynamic properties of factor XIII subunits. 
  • Electron tomography of viruses. 
  • Electron-tunneling pathways in proteins. 
  • Electronic structure of a paramagnetic {MNO}6 complex: MnNO 5,5-tropocoronand. 
  • Electrostatic and lipid anchor contributions to the interaction of transducin with membranes: mechanistic implications for activation and translocation. 
  • Electrostatic recognition between superoxide and copper, zinc superoxide dismutase. 
  • Elucidating structural and molecular mechanisms of β-arrestin-biased agonism at GPCRs via MS-based proteomics. 
  • Emergence of limit-periodic order in tiling models. 
  • Emerging applications of stimuli-responsive polymer materials. 
  • Enantioselective synthesis of cyclic enol ethers and all-carbon quaternary stereogenic centers through catalytic asymmetric ring-closing metathesis. 
  • Engineered site-directed labeling of nicotinic acetylcholine receptors using reactive epibatidine derivatives: appraisal of epibatidine-docking models in neuronal and muscular receptors. 
  • Engineering a therapeutic lectin by uncoupling mitogenicity from antiviral activity. 
  • Engineering opposite electronic polarization of singlet and triplet states increases the yield of high-energy photoproducts. 
  • Engineering protein stability and specificity using fluorous amino acids: the importance of packing effects. 
  • Engraftment of a galactose receptor footprint onto adeno-associated viral capsids improves transduction efficiency. 
  • Enhanced protein flexibility caused by a destabilizing amino acid replacement in BPTI. 
  • Enthalpic signature of methonium desolvation revealed in a synthetic host-guest system based on cucurbit[7]uril. 
  • Environmental Effects on Guanine-Thymine Mispair Tautomerization Explored with Quantum Mechanical/Molecular Mechanical Free Energy Simulations. 
  • Enzymatic properties of ALDH1L2, a mitochondrial 10-formyltetrahydrofolate dehydrogenase. 
  • Enzyme redesign guided by cancer-derived IDH1 mutations. 
  • Epitope mapping of the U1 small nuclear ribonucleoprotein particle in patients with systemic lupus erythematosus and mixed connective tissue disease. 
  • Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1. 
  • Equilibration of tyrosyl radicals (Y356•, Y731•, Y730•) in the radical propagation pathway of the Escherichia coli class Ia ribonucleotide reductase. 
  • Error-prone replication of oxidatively damaged DNA by a high-fidelity DNA polymerase. 
  • Escherichia coli biotin holoenzyme synthetase/bio repressor crystal structure delineates the biotin- and DNA-binding domains. 
  • Escherichia coli purine repressor: key residues for the allosteric transition between active and inactive conformations and for interdomain signaling. 
  • Essential role of an active-site guanine in glmS ribozyme catalysis. 
  • Essential role of conserved arginine 160 in intramolecular electron transfer in human sulfite oxidase. 
  • Evaluating the quality of NMR structures by local density of protons. 
  • Evidence for Dual Binding Sites for 1,1,1-Trichloro-2,2-bis(p-chlorophenyl)ethane (DDT) in Insect Sodium Channels. 
  • Evidence for a near-resonant charge transfer mechanism for double-stranded peptide nucleic acid. 
  • Evidence for an electrostatic mechanism of force generation by the bacteriophage T4 DNA packaging motor. 
  • Evidence for heteromorphic chromatin fibers from analysis of nucleosome interactions. 
  • Evidence for the intertwined dimer of the cytochrome bc(1) complex in solution. 
  • Evidence of Fe3+ interaction with the plug domain of the outer membrane transferrin receptor protein of Neisseria gonorrhoeae: implications for Fe transport. 
  • Evidence of viral adaptation to HLA class I-restricted immune pressure in chronic hepatitis C virus infection. 
  • Evidence that genomic and antigenomic RNA self-cleaving elements from hepatitis delta virus have similar secondary structures. 
  • Evolution of a σ-(c-di-GMP)-anti-σ switch. 
  • Evolutionary genomics and adaptive evolution of the Hedgehog gene family (Shh, Ihh and Dhh) in vertebrates. 
  • Evolutionary relationships of endemic/epidemic and sylvatic dengue viruses. 
  • Evolving the use of peptides as components of biomaterials 
  • Exemestane's 17-hydroxylated metabolite exerts biological effects as an androgen. 
  • Existence of a flat phase in red cell membrane skeletons. 
  • Exome sequencing identifies recurrent somatic RAC1 mutations in melanoma. 
  • Exon circularization in mammalian nuclear extracts. 
  • Expanding the functional repertoire of CTD kinase I and RNA polymerase II: novel phosphoCTD-associating proteins in the yeast proteome. 
  • Experimental validation of the docking orientation of Cdc25 with its Cdk2-CycA protein substrate. 
  • Experimentally Dissecting the Origins of Peroxiredoxin Catalysis. 
  • Exploring biological electron transfer pathway dynamics with the Pathways plugin for VMD. 
  • Exploring the conformational preferences of 20-residue peptides in isolation: Ac-Ala19-Lys + H(+)vs. Ac-Lys-Ala19 + H(+) and the current reach of DFT. 
  • Expression of the human poliovirus receptor/CD155 gene during development of the central nervous system: implications for the pathogenesis of poliomyelitis. 
  • Extending the NMR spatial resolution limit for RNA by motional couplings. 
  • Extracellular annexin II. 
  • FKBP12-Dependent Inhibition of Calcineurin Mediates Immunosuppressive Antifungal Drug Action in Malassezia. 
  • Fast and faster: a designed variant of the B-domain of protein A folds in 3 microsec. 
  • Fast and forceful refolding of stretched alpha-helical solenoid proteins. 
  • FbpA--a bacterial transferrin with more to offer. 
  • Fe3+ coordination and redox properties of a bacterial transferrin. 
  • First-Principles Molecular Structure Search with a Genetic Algorithm. 
  • Flexible histone tails in a new mesoscopic oligonucleosome model. 
  • Flipping of the ribosomal A-site adenines provides a basis for tRNA selection. 
  • Focused evolution of HIV-1 neutralizing antibodies revealed by structures and deep sequencing. 
  • Folding kinetics of a fluorescent variant of monomeric lambda repressor. 
  • Folding mechanism of a multiple independently-folding domain protein: double B domain of protein A. 
  • Following an environmental carcinogen N2-dG adduct through replication: elucidating blockage and bypass in a high-fidelity DNA polymerase. 
  • Force-induced prolyl cis-trans isomerization in elastin-like polypeptides. 
  • Fragility and mechanosensing in a thermalized cytoskeleton model with forced protein unfolding. 
  • Fretting about FRET: correlation between kappa and R. 
  • From Drosophila to humans: reflections on the roles of the prolyl isomerases and chaperones, cyclophilins, in cell function and disease. 
  • From chain to network: design and analysis of novel organic-inorganic assemblies from organically functionalized zinc-substituted polyoxovanadates and zinc organoamine subunits. 
  • From promiscuity to precision: protein phosphatases get a makeover. 
  • FtsZ Protofilament Curvature Is the Opposite of Tubulin Rings. 
  • Functional analysis of the putative integrin recognition motif on adeno-associated virus 9. 
  • Functional asymmetry of transmembrane segments in nicotinic acetylcholine receptors. 
  • Functional complexity and regulation through RNA dynamics. 
  • Functional consequences of substitution mutations in MepR, a repressor of the Staphylococcus aureus MepA multidrug efflux pump gene. 
  • Functional roles for the cytoplasmic domain of the type III transforming growth factor beta receptor in regulating transforming growth factor beta signaling. 
  • Functional roles of the two domains of phosducin and phosducin-like protein. 
  • Functionalized micellar assemblies prepared via block copolymers synthesized by living free radical polymerization upon peptide-loaded resins. 
  • G alpha t/G alpha i1 chimeras used to define structural basis of specific functions of G alpha t. 
  • Generation of an anticoagulant aptamer that targets factor V/Va and disrupts the FVa-membrane interaction in normal and COVID-19 patient samples. 
  • Genetic and crystallographic studies of the 3',5'-exonucleolytic site of DNA polymerase I. 
  • Genetic heterogeneity of diffuse large B-cell lymphoma. 
  • Genetic signatures in the envelope glycoproteins of HIV-1 that associate with broadly neutralizing antibodies. 
  • Genetic, biochemical, and structural studies of biogenesis of adhesive pili in bacteria. 
  • Genetically engineered calmodulins differentially activate target enzymes. 
  • Genetics of cerebral cavernous malformations. 
  • Genome-wide detection and characterization of positive selection in human populations. 
  • Gibberellin-induced DELLA recognition by the gibberellin receptor GID1. 
  • GlcNAc-1-P-transferase-tunicamycin complex structure reveals basis for inhibition of N-glycosylation. 
  • Global folds of proteins with low densities of NOEs using residual dipolar couplings: application to the 370-residue maltodextrin-binding protein. 
  • Glutamate 350 Plays an Essential Role in Conformational Gating of Long-Range Radical Transport in Escherichia coli Class Ia Ribonucleotide Reductase. 
  • Glutamate receptor desensitization is mediated by changes in quaternary structure of the ligand binding domain. 
  • Glycated AAV vectors: chemical redirection of viral tissue tropism. 
  • Good fungi gone bad: the corruption of calcineurin. 
  • Guinea pig and bovine zeta-crystallins have distinct functional characteristics highlighting replacements in otherwise similar structures. 
  • HDAC6 modulates cell motility by altering the acetylation level of cortactin. 
  • HGT in the human and skin commensal Malassezia: A bacterially derived flavohemoglobin is required for NO resistance and host interaction. 
  • HIV envelope V3 region mimic embodies key features of a broadly neutralizing antibody lineage epitope. 
  • HIV vaccine delayed boosting increases Env variable region 2-specific antibody effector functions. 
  • HIV-1 Envelope Conformation, Allostery, and Dynamics. 
  • HIV-1 Neutralizing Antibody Signatures and Application to Epitope-Targeted Vaccine Design. 
  • HIV-1 envelope glycoprotein trimers display open quaternary conformation when bound to the gp41 membrane-proximal external-region-directed broadly neutralizing antibody Z13e1. 
  • Haploinsufficiency of the Sin3/HDAC corepressor complex member SIN3B causes a syndromic intellectual disability/autism spectrum disorder. 
  • Hapticity-dependent charge transport through carbodithioate-terminated [5,15-bis(phenylethynyl)porphinato]zinc(II) complexes in metal-molecule-metal junctions. 
  • Helix lap-joints as ion-binding sites: DNA-binding motifs and Ca-binding "EF hands" are related by charge and sequence reversal. 
  • Hemoglobin Deer Lodge (beta 2 His replaced by Arg). Consequences of altering the 2,3-diphosphoglycerate binding site. 
  • Hepatitis C virus NS5B polymerase: QM/MM calculations show the important role of the internal energy in ligand binding. 
  • Hereditary pancreatitis is caused by a mutation in the cationic trypsinogen gene. 
  • Heterozygous variants in MYBPC1 are associated with an expanded neuromuscular phenotype beyond arthrogryposis. 
  • Hfq structure, function and ligand binding. 
  • Hierarchy of RNA functional dynamics. 
  • High resolution 4-D spectroscopy with sparse concentric shell sampling and FFT-CLEAN. 
  • High-affinity inhibitors of dihydrofolate reductase: antimicrobial and anticancer activities of 7,8-dialkyl-1,3-diaminopyrrolo[3,2-f]quinazolines with small molecular size. 
  • High-resolution crystal structures of Escherichia coli FtsZ bound to GDP and GTP. 
  • High-resolution protein structure determination starting with a global fold calculated from exact solutions to the RDC equations. 
  • High-resolution solution structure of the beryllofluoride-activated NtrC receiver domain. 
  • High-resolution structures of the SAMHD1 dGTPase homolog from Leeuwenhoekiella blandensis reveal a novel mechanism of allosteric activation by dATP. 
  • High-throughput combinatorial database of electronic band structures for inorganic scintillator materials. 
  • Highly complex neutralization determinants on a monophyletic lineage of newly transmitted subtype C HIV-1 Env clones from India. 
  • HipBA-promoter structures reveal the basis of heritable multidrug tolerance. 
  • Homologs of the vancomycin resistance D-Ala-D-Ala dipeptidase VanX in Streptomyces toyocaensis, Escherichia coli and Synechocystis: attributes of catalytic efficiency, stereoselectivity and regulation with implications for function. 
  • How Gsalpha activates adenylyl cyclase. 
  • How an enzyme binds the C1 carrier tetrahydromethanopterin. Structure of the tetrahydromethanopterin-dependent formaldehyde-activating enzyme (Fae) from Methylobacterium extorquens AM1. 
  • How cations change peptide structure. 
  • How does protein architecture facilitate the transduction of ATP chemical-bond energy into mechanical work? The cases of nitrogenase and ATP binding-cassette proteins. 
  • How the EcoRI endonuclease recognizes and cleaves DNA. 
  • Human La antigen is required for the hepatitis C virus internal ribosome entry site-mediated translation. 
  • Human nucleotide excision repair protein XPA: NMR spectroscopic studies of an XPA fragment containing the ERCC1-binding region and the minimal DNA-binding domain (M59-F219). 
  • Hydrogen bonding of beta-turn structure is stabilized in D(2)O. 
  • IMDA/aldol strategy for transforming carbohydrates into functionalized trans-decalins. 
  • IRES-targeting small molecule inhibits enterovirus 71 replication via allosteric stabilization of a ternary complex. 
  • Identification of 3-hydroxy-2-(3-hydroxyphenyl)-4H-1-benzopyran-4-ones as isoform-selective PKC-zeta inhibitors and potential therapeutics for psychostimulant abuse. 
  • Identification of BfmR, a response regulator involved in biofilm development, as a target for a 2-Aminoimidazole-based antibiofilm agent. 
  • Identification of ENV determinants in V3 that influence the molecular anatomy of CCR5 utilization. 
  • Identification of a cyclic nucleotide as a cryptic intermediate in molybdenum cofactor biosynthesis. 
  • Identification of a glycosaminoglycan-binding site in chemokine macrophage inflammatory protein-1alpha. 
  • Identification of a nonbasic, nitrile-containing cathepsin K inhibitor (MK-1256) that is efficacious in a monkey model of osteoporosis. 
  • Identification of a potent and selective non-basic cathepsin K inhibitor. 
  • Identification of a residue critical for maintaining the functional conformation of BPTI. 
  • Identification of amino acid sequences in fibrinogen gamma -chain and tenascin C C-terminal domains critical for binding to integrin alpha vbeta 3. 
  • Identification of an allosteric small-molecule inhibitor selective for the inducible form of heat shock protein 70. 
  • Identification of key amino acids responsible for the substantially higher affinities of human type 1 3beta-hydroxysteroid dehydrogenase/isomerase (3beta-HSD1) for substrates, coenzymes, and inhibitors relative to human 3beta-HSD2. 
  • Identification of new batrachotoxin-sensing residues in segment IIIS6 of the sodium channel. 
  • Identification of novel quaternary domain interactions in the Hsp90 chaperone, GRP94. 
  • Identification of the GPR55 antagonist binding site using a novel set of high-potency GPR55 selective ligands. 
  • Identification of the segments of the mouse transferrin receptor 1 required for mouse mammary tumor virus infection. 
  • Identification of ubiquitination sites on the X-linked inhibitor of apoptosis protein. 
  • Imidazo[5,1-f][1,2,4]triazin-2-amines as novel inhibitors of polo-like kinase 1. 
  • Immunization expands B cells specific to HIV-1 V3 glycan in mice and macaques. 
  • Immunochemical and molecular analysis of antigen binding to lipid anchored and soluble forms of an MHC independent human alpha/beta T cell receptor. 
  • Immunogenicity of Stabilized HIV-1 Envelope Trimers with Reduced Exposure of Non-neutralizing Epitopes. 
  • Immunoglobulin gene insertions and deletions in the affinity maturation of HIV-1 broadly reactive neutralizing antibodies. 
  • Immunoinformatics approaches to explore Helicobacter Pylori proteome (Virulence Factors) to design B and T cell multi-epitope subunit vaccine. 
  • Impact of amino acid substitutions at secondary structures in the BRCT domains of the tumor suppressor BRCA1: Implications for clinical annotation. 
  • Impact of static and dynamic A-form heterogeneity on the determination of RNA global structural dynamics using NMR residual dipolar couplings. 
  • Impact of vibrational entropy on the stability of unsolvated peptide helices with increasing length 
  • Implications for proteasome nuclear localization revealed by the structure of the nuclear proteasome tether protein Cut8. 
  • Importance of the beta12-beta13 loop in protein phosphatase-1 catalytic subunit for inhibition by toxins and mammalian protein inhibitors. 
  • Improved AlphaFold modeling with implicit experimental information. 
  • Improved antigen binding by a CD20-specific single-chain antibody fragment with a mutation in CDRH1. 
  • Improved induction of antibodies against key neutralizing epitopes by human immunodeficiency virus type 1 gp120 DNA prime-protein boost vaccination compared to gp120 protein-only vaccination. 
  • Improving SARS-CoV-2 structures: Peer review by early coordinate release. 
  • Improving upon nature: active site remodeling produces highly efficient aldolase activity toward hydrophobic electrophilic substrates. 
  • Increasing occurrences and functional roles for high energy purine-pyrimidine base-pairs in nucleic acids. 
  • Infantile spasms and encephalopathy without preceding neonatal seizures caused by KCNQ2 R198Q, a gain-of-function variant. 
  • Influence of pulling handles and device stiffness in single-molecule force spectroscopy. 
  • Informative priors based on transcription factor structural class improve de novo motif discovery. 
  • Inhibition of nitric oxide synthase by cobalamins and cobinamides. 
  • Inhibitor binding increases the mechanical stability of staphylococcal nuclease. 
  • Inhibitor-1 interaction domain that mediates the inhibition of protein phosphatase-1. 
  • Initiation of HIV neutralizing B cell lineages with sequential envelope immunizations. 
  • Inositol 1,4,5-trisphosphate receptor localization and stability in neonatal cardiomyocytes requires interaction with ankyrin-B. 
  • Insect sodium channels and insecticide resistance. 
  • Inside-out Z rings--constriction with and without GTP hydrolysis. 
  • Insight into F plasmid DNA segregation revealed by structures of SopB and SopB-DNA complexes. 
  • Insights into domain-domain motions in proteins and RNA from solution NMR. 
  • Insights into the nature of DNA binding of AbrB-like transcription factors. 
  • Integrating statistical pair potentials into protein complex prediction. 
  • Interaction of dihydrofolate reductase with methotrexate: ensemble and single-molecule kinetics. 
  • Interaction of nephrocystin-4 and RPGRIP1 is disrupted by nephronophthisis or Leber congenital amaurosis-associated mutations. 
  • Interaction of the Shiga-like toxin type 1 B-subunit with its carbohydrate receptor. 
  • Interaction of the antifolate antibiotic trimethoprim with phosphatidylcholine membranes: a 13C and 31P nuclear magnetic resonance study. 
  • Interaction sites of the C-terminal region of the cGMP phosphodiesterase inhibitory subunit with the GDP-bound transducin alpha-subunit. 
  • Interaction with cellular CD4 exposes HIV-1 envelope epitopes targeted by antibody-dependent cell-mediated cytotoxicity. 
  • Interconversion of red opsin isoforms by the cyclophilin-related chaperone protein Ran-binding protein 2. 
  • Interfacial cavity filling to optimize CD4-mimetic miniprotein interactions with HIV-1 surface glycoprotein. 
  • Interpretation of electron density maps. 
  • Intrinsic GTP hydrolysis is observed for a switch 1 variant of Cdc42 in the presence of a specific GTPase inhibitor. 
  • Intrinsic disorder drives N-terminal ubiquitination by Ube2w. 
  • Inverted formin 2 mutations with variable expression in patients with sporadic and hereditary focal and segmental glomerulosclerosis. 
  • Involvement of the distal histidine in the low affinity exhibited by Hb Chico (Lys beta 66----Thr) and its isolated beta chains. 
  • Ion channels: an open and shut case. 
  • Ionophore 4-BrA23187 transports Zn2+ and Mn2+ with high selectivity over Ca2+. 
  • Is it better to combine predictions? 
  • Isoforms of alpha-actinin from cardiac, smooth, and skeletal muscle form polar arrays of actin filaments. 
  • Isolation and characterization of cul1-7, a recessive allele of CULLIN1 that disrupts SCF function at the C terminus of CUL1 in Arabidopsis thaliana. 
  • Isolation of a monoclonal antibody that targets the alpha-2 helix of gp120 and represents the initial autologous neutralizing-antibody response in an HIV-1 subtype C-infected individual. 
  • Jasmonate perception by inositol-phosphate-potentiated COI1-JAZ co-receptor. 
  • KING (Kinemage, Next Generation): a versatile interactive molecular and scientific visualization program. 
  • Keeping G proteins at bay: a complex between G protein-coupled receptor kinase 2 and Gbetagamma. 
  • Keeping up with calcium: conference on calcium-binding proteins and calcium function in health and disease. 
  • Kinesin: switch I & II and the motor mechanism. 
  • Kinetic and nuclear magnetic resonance study of the interaction of NADP+ and NADPH with chicken liver fatty acid synthase. 
  • Kinetic studies of protein farnesyltransferase mutants establish active substrate conformation. 
  • Kinetics and mechanism of iron(III) dissociation from the dihydroxamate siderophores alcaligin and rhodotorulic acid. 
  • Kinetics of thermal unfolding of phenylalanine hydroxylase variants containing different metal cofactors (FeII, CoII, and ZnII) and their isokinetic relationship. 
  • La gets its wings. 
  • Large conformational changes in a kinesin motor catalyzed by interaction with microtubules. 
  • Lateral density of receptor arrays in the membrane plane influences sensitivity of the E. coli chemotaxis response. 
  • Lattice animal model of chromosome organization 
  • Ligand concentration regulates the pathways of coupled protein folding and binding. 
  • Ligand-induced conformational changes in a thermophilic ribose-binding protein. 
  • Linking ligand-induced alterations in androgen receptor structure to differential gene expression: a first step in the rational design of selective androgen receptor modulators. 
  • Lipid molecules induce p38α activation via a novel molecular switch. 
  • Lipid rafts in protein sorting and cell polarity in budding yeast Saccharomyces cerevisiae. 
  • Lipopolysaccharide 3-deoxy-D-manno-octulosonic acid (Kdo) core determines bacterial association of secreted toxins. 
  • Liposome reconstitution and transport assay for recombinant transporters. 
  • Log-rolling micelles in sheared amphiphilic thin films. 
  • Long range dynamic effects of point-mutations trap a response regulator in an active conformation. 
  • Long- and short-range interactions between phospholipid/ganglioside GM1 bilayers. 
  • Long-lived polarization protected by symmetry. 
  • Long-range electron transfer in myoglobin. 
  • Looking at proteins: representations, folding, packing, and design. Biophysical Society National Lecture, 1992. 
  • Lutheran antigens, CD44-related antigens, and Lutheran regulatory genes. 
  • MOLPROBITY: structure validation and all-atom contact analysis for nucleic acids and their complexes. 
  • Macromolecular structure determination using X-rays, neutrons and electrons: recent developments in Phenix. 
  • Magnitude of the solvation pressure depends on dipole potential. 
  • Making the invisible enemy visible. 
  • Mammalian class I odorant receptors exhibit a conserved vestibular-binding pocket. 
  • Manipulating JNK signaling with (--)-zuonin A. 
  • Manipulation of ligand binding affinity by exploitation of conformational coupling. 
  • Mapping Hfq-RNA interaction surfaces using tryptophan fluorescence quenching. 
  • Mapping Simulated Two-Dimensional Spectra to Molecular Models Using Machine Learning. 
  • Mapping the Structural Determinants Required for AAVrh.10 Transport across the Blood-Brain Barrier. 
  • Mapping the interaction surface of scorpion β-toxins with an insect sodium channel. 
  • MarR family proteins are important regulators of clinically relevant antibiotic resistance. 
  • Maturation Pathway from Germline to Broad HIV-1 Neutralizer of a CD4-Mimic Antibody. 
  • Maturation and Diversity of the VRC01-Antibody Lineage over 15 Years of Chronic HIV-1 Infection. 
  • Mechanical unfolding intermediates in titin modules. 
  • Mechanical unfolding of ubiquitin molecules. 
  • Mechanically interlocked calix[4]arene dimers display reversible bond breakage under force. 
  • Mechanism of OMP decarboxylation in orotidine 5'-monophosphate decarboxylase. 
  • Mechanism of corepressor-mediated specific DNA binding by the purine repressor. 
  • Mechanism of intracellular allosteric β2AR antagonist revealed by X-ray crystal structure. 
  • Mechanism of neutralization by the broadly neutralizing HIV-1 monoclonal antibody VRC01. 
  • Mechanism of pyranopterin ring formation in molybdenum cofactor biosynthesis. 
  • Mechanism of the Class I KDPG aldolase. 
  • Mechanism of ubiquitin activation revealed by the structure of a bacterial MoeB-MoaD complex. 
  • Mechanisms of MAVS regulation at the mitochondrial membrane. 
  • Mechanistic Investigation of Site-specific DNA Methylating Agents Targeting Breast Cancer Cells. 
  • Mechanistic analysis of gold(I)-catalyzed intramolecular allene hydroalkoxylation reveals an off-cycle bis(gold) vinyl species and reversible C-O bond formation. 
  • Mechanistic and mutational studies of Escherichia coli molybdopterin synthase clarify the final step of molybdopterin biosynthesis. 
  • Mechanistic characterization of the tetraacyldisaccharide-1-phosphate 4'-kinase LpxK involved in lipid A biosynthesis. 
  • Mechanistic study on the reaction of a radical SAM dehydrogenase BtrN by electron paramagnetic resonance spectroscopy. 
  • Methionine oxidation of monomeric lambda repressor: the denatured state ensemble under nondenaturing conditions. 
  • Mg2+-induced variations in the conformation and dynamics of HIV-1 TAR RNA probed using NMR residual dipolar couplings. 
  • Micro flow bio-molecular computation. 
  • Microbial hydroxylation and reduction of the diterpene psiadin. 
  • Microrheology of hyaluronan solutions: implications for the endothelial glycocalyx. 
  • Microtesla SABRE enables 10% nitrogen-15 nuclear spin polarization. 
  • Microtubules accelerate the kinase activity of Aurora-B by a reduction in dimensionality. 
  • Minimal determinants for binding activated G alpha from the structure of a G alpha(i1)-peptide dimer. 
  • Mining the antibodyome for HIV-1-neutralizing antibodies with next-generation sequencing and phylogenetic pairing of heavy/light chains. 
  • Mismatch-, MutS-, MutL-, and helicase II-dependent unwinding from the single-strand break of an incised heteroduplex. 
  • Mismodeled purines: implicit alternates and hidden Hoogsteens. 
  • Missense variants in the chromatin remodeler CHD1 are associated with neurodevelopmental disability. 
  • Mitochondrial DNA variant in COX1 subunit significantly alters energy metabolism of geographically divergent wild isolates in Caenorhabditis elegans. 
  • Mn porphyrin-based superoxide dismutase (SOD) mimic, MnIIITE-2-PyP5+, targets mouse heart mitochondria. 
  • Mode of Action of a Designed Antimicrobial Peptide: High Potency against Cryptococcus neoformans. 
  • Model Peptide Studies Reveal a Mixed Histidine-Methionine Cu(I) Binding Site at the N-Terminus of Human Copper Transporter 1. 
  • Model validation: local diagnosis, correction and when to quit. 
  • Modeling and superposition of multiple protein structures using affine transformations: analysis of the globins. 
  • Modeling the biochemical differences between rabbit muscle and human liver phosphorylase. 
  • Modifications of boronic ester pro-chelators triggered by hydrogen peroxide tune reactivity to inhibit metal-promoted oxidative stress. 
  • Modulating protein structure with fluorous amino acids: increased stability and native-like structure conferred on a 4-helix bundle protein by hexafluoroleucine. 
  • Modulation of calmodulin plasticity in molecular recognition on the basis of x-ray structures. 
  • Modulation of human nuclear receptor LRH-1 activity by phospholipids and SHP. 
  • Modulation of ligand binding affinity of the adipocyte lipid-binding protein by selective mutation. Analysis in vitro and in situ. 
  • MolProbity: More and better reference data for improved all-atom structure validation. 
  • MolProbity: all-atom contacts and structure validation for proteins and nucleic acids. 
  • Molecular architecture of native HIV-1 gp120 trimers. 
  • Molecular basis for a protein-mediated DNA-bridging mechanism that functions in condensation of the E. coli chromosome. 
  • Molecular basis for interactions of G protein betagamma subunits with effectors. 
  • Molecular basis of ChvE function in sugar binding, sugar utilization, and virulence in Agrobacterium tumefaciens. 
  • Molecular basis of PIP2-dependent regulation of the Ca2+-activated chloride channel TMEM16A. 
  • Molecular basis of sulfite oxidase deficiency from the structure of sulfite oxidase. 
  • Molecular biology of adrenergic receptors. 
  • Molecular characterization of CYP2B6 substrates. 
  • Molecular cloning, characterization, and expression in Escherichia coli of full-length cDNAs of three human glutathione S-transferase Pi gene variants. Evidence for differential catalytic activity of the encoded proteins. 
  • Molecular conformation of erabutoxin b; atomic coordinates at 2.5 A resolution. 
  • Molecular determinants in the second intracellular loop of the 5-hydroxytryptamine-1A receptor for G-protein coupling. 
  • Molecular encapsulation. 
  • Molecular evolution of the junctophilin gene family. 
  • Molecular insights into DNA binding and anchoring by the Bacillus subtilis sporulation kinetochore-like RacA protein. 
  • Molecular mechanical properties of short-sequence peptide enzyme mimics. 
  • Molecular mechanism by which the nucleoid occlusion factor, SlmA, keeps cytokinesis in check. 
  • Molecular mechanism of ERK dephosphorylation by striatal-enriched protein tyrosine phosphatase. 
  • Molecular mechanism of activation of human musk receptors OR5AN1 and OR1A1 by (R)-muscone and diverse other musk-smelling compounds. 
  • Molecular mechanism of β-arrestin-biased agonism at seven-transmembrane receptors. 
  • Molecular mechanisms of BK channel activation. 
  • Molecular mechanisms of HipA-mediated multidrug tolerance and its neutralization by HipB. 
  • Molecular recognition of ketamine by a subset of olfactory G protein-coupled receptors. 
  • Molecular structure and function of the novel BrnT/BrnA toxin-antitoxin system of Brucella abortus. 
  • Molecular structure of a 9-MDa icosahedral pyruvate dehydrogenase subcomplex containing the E2 and E3 enzymes using cryoelectron microscopy. 
  • Monitoring intracellular proteins using fluorescence techniques: from protein synthesis and localization to activity. 
  • Monomeric yeast frataxin is an iron-binding protein. 
  • Most mutations that cause spinocerebellar ataxia autosomal recessive type 16 (SCAR16) destabilize the protein quality-control E3 ligase CHIP. 
  • Motor proteins. 1: kinesins. 
  • Multi-resolution 3D visualization of the early stages of cellular uptake of peptide-coated nanoparticles. 
  • Multidrug-binding transcription factor QacR binds the bivalent aromatic diamidines DB75 and DB359 in multiple positions. 
  • Multifaceted recognition of vertebrate Rev1 by translesion polymerases ζ and κ. 
  • Multiple Surface Regions on the Niemann-Pick C2 Protein Facilitate Intracellular Cholesterol Transport. 
  • Multiple conformational changes in enzyme catalysis. 
  • Multiscale approach for the construction of equilibrated all-atom models of a poly(ethylene glycol)-based hydrogel. 
  • Multiscale conformational heterogeneity in staphylococcal protein a: possible determinant of functional plasticity. 
  • Multivalency effects in protein--carbohydrate interaction: the binding of the Shiga-like toxin 1 binding subunit to multivalent C-linked glycopeptides. 
  • Multivalent benzoboroxole functionalized polymers as gp120 glycan targeted microbicide entry inhibitors. 
  • Mutagenesis of the phosphate-binding pocket of KDPG aldolase enhances selectivity for hydrophobic substrates. 
  • Mutagenesis studies of substrate recognition and catalysis in the sortase A transpeptidase from Staphylococcus aureus. 
  • Mutation of conserved histidines alters tertiary structure and nanomechanics of consensus ankyrin repeats. 
  • Mutation-specific pathophysiological mechanisms define different neurodevelopmental disorders associated with SATB1 dysfunction. 
  • Mutational Dissection of Telomeric DNA Binding Requirements of G4 Resolvase 1 Shows that G4-Structure and Certain 3'-Tail Sequences Are Sufficient for Tight and Complete Binding. 
  • Mutational analysis of Gbetagamma and phospholipid interaction with G protein-coupled receptor kinase 2. 
  • Mutational analysis of active site residues in the Staphylococcus aureus transpeptidase SrtA. 
  • Mutational analysis of the fractalkine chemokine domain. Basic amino acid residues differentially contribute to CX3CR1 binding, signaling, and cell adhesion. 
  • Mutations in hemG mediate resistance to salicylidene acylhydrazides, demonstrating a novel link between protoporphyrinogen oxidase (HemG) and Chlamydia trachomatis infectivity. 
  • Mutations in kelch-like 3 and cullin 3 cause hypertension and electrolyte abnormalities. 
  • Mutations in the chemokine receptor gene CXCR4 are associated with WHIM syndrome, a combined immunodeficiency disease. 
  • Mutations in the glucose-6-phosphatase gene are associated with glycogen storage disease types 1a and 1aSP but not 1b and 1c. 
  • Mutations that perturb cyclophilin A ligand binding pocket confer cyclosporin A resistance in Saccharomyces cerevisiae. 
  • Mutations within the mepA operator affect binding of the MepR regulatory protein and its induction by MepA substrates in Staphylococcus aureus. 
  • Myosin S2 origins track evolution of strong binding on actin by azimuthal rolling of motor domain. 
  • N(6)-Methyladenosine Modification in a Long Noncoding RNA Hairpin Predisposes Its Conformation to Protein Binding. 
  • NMR solution structure and DNA-binding model of the DNA-binding domain of competence protein A. 
  • NMR structure note: solution structure of the core domain of MESD that is essential for proper folding of LRP5/6. 
  • NMR structure of AbhN and comparison with AbrBN: FIRST insights into the DNA binding promiscuity and specificity of AbrB-like transition state regulator proteins. 
  • NMR structure of activated CheY. 
  • NMR structures of biomolecules using field oriented media and residual dipolar couplings. 
  • NMR studies of RNA dynamics and structural plasticity using NMR residual dipolar couplings. 
  • NMR studies of an immunomodulatory benzodiazepine binding to its molecular target on the mitochondrial F(1)F(0)-ATPase. 
  • NMR studies of nucleic acid dynamics. 
  • NMR-based Structural Analysis of Threonylcarbamoyl-AMP Synthase and Its Substrate Interactions. 
  • Native fluorescence and mag-indo-1-protein interaction as tools for probing unfolding and refolding sequences of the bovine serum albumin subdomain in the presence of guanidine hydrochloride. 
  • Native like helices in a specially designed β peptide in the gas phase. 
  • Natural beta-sheet proteins use negative design to avoid edge-to-edge aggregation. 
  • Natural product glycosyltransferases: properties and applications. 
  • Neck-motor interactions trigger rotation of the kinesin stalk. 
  • Neuroactive steroids are altered in schizophrenia and bipolar disorder: relevance to pathophysiology and therapeutics. 
  • Neutralization-guided design of HIV-1 envelope trimers with high affinity for the unmutated common ancestor of CH235 lineage CD4bs broadly neutralizing antibodies. 
  • Neutralizing antibody vaccine for pandemic and pre-emergent coronaviruses. 
  • New insights into the fundamental role of topological constraints as a determinant of two-way junction conformation. 
  • New lessons in the regulation of glucose metabolism taught by the glucose 6-phosphatase system. 
  • New roles for beta-arrestins in cell signaling: not just for seven-transmembrane receptors. 
  • New tools in MolProbity validation: CaBLAM for CryoEM backbone, UnDowser to rethink "waters," and NGL Viewer to recapture online 3D graphics. 
  • New tools provide a second look at HDV ribozyme structure, dynamics and cleavage. 
  • Nitric-oxide synthase output state. Design and properties of nitric-oxide synthase oxygenase/FMN domain constructs. 
  • Nitroxyl disulfides, novel intermediates in transnitrosation reactions. 
  • Noncanonical secondary structure stabilizes mitochondrial tRNA(Ser(UCN)) by reducing the entropic cost of tertiary folding. 
  • Novel HIV-1 Non-nucleoside Reverse Transcriptase Inhibitor Agents: Optimization of Diarylanilines with High Potency against Wild-Type and Rilpivirine-Resistant E138K Mutant Virus. 
  • Novel adamantyl cannabinoids as CB1 receptor probes. 
  • Novel chalcogenides, pnictides and defect-tolerant semiconductors: general discussion. 
  • Novel circular DNA viruses in stool samples of wild-living chimpanzees. 
  • Nuclear inositol signaling: a structural and functional approach. 
  • Nucleation of microtubule assembly. Experimental kinetics, computer fitting of models, and observations on tubulin rings. 
  • Nucleic acid binding drugs--XIV. The crystal structure of 1-methyl amsacrine hydrochloride; relationships to DNA-binding ability and anti-tumour activity. 
  • Nucleotide-promoted release of hMutSalpha from heteroduplex DNA is consistent with an ATP-dependent translocation mechanism. 
  • Oligomeric structure and tissue distribution of ficolins from mouse, pig and human. 
  • Optical Control of CRISPR/Cas9 Gene Editing. 
  • Optical rotation of noncovalent aggregates. 
  • Optimal specificity and function for flexible biomolecular recognition. 
  • Optimization and SAR for dual ErbB-1/ErbB-2 tyrosine kinase inhibition in the 6-furanylquinazoline series. 
  • Optimization of 2-phenylcyclopropylmethylamines as selective serotonin 2C receptor agonists and their evaluation as potential antipsychotic agents. 
  • Optimization of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine IGF-1R tyrosine kinase inhibitors towards JNK selectivity. 
  • Optimization of Selective Mitogen-Activated Protein Kinase Interacting Kinases 1 and 2 Inhibitors for the Treatment of Blast Crisis Leukemia. 
  • Optimization of the Solubility of HIV-1-Neutralizing Antibody 10E8 through Somatic Variation and Structure-Based Design. 
  • Optimization of the lariat ether carboxylic acid host structure for ferrioxamine B: demonstration of a second coordination shell chelate effect. 
  • Optimizing single-molecule conductivity of conjugated organic oligomers with carbodithioate linkers. 
  • Order out of disorder: working cycle of an intrinsically unfolded chaperone. 
  • Origin of overstretching transitions in single-stranded nucleic acids. 
  • PHENIX: a comprehensive Python-based system for macromolecular structure solution. 
  • Paradigm Shift for Radical S-Adenosyl-l-methionine Reactions: The Organometallic Intermediate Ω Is Central to Catalysis. 
  • Particle-by-Particle In Situ Characterization of the Protein Corona via Real-Time 3D Single-Particle-Tracking Spectroscopy*. 
  • Pathogenic Mutations Induce Partial Structural Changes in the Native β-Sheet Structure of Transthyretin and Accelerate Aggregation. 
  • Pathway analysis of protein electron-transfer reactions. 
  • Pathways, pathway tubes, pathway docking, and propagators in electron transfer proteins. 
  • Peptide binding proclivities of calcium loaded calbindin-D28k. 
  • Periplasmic binding proteins: a versatile superfamily for protein engineering. 
  • Persistence of structure over fluctuations in biological electron-transfer reactions. 
  • Pervasive tertiary structure in the dengue virus RNA genome. 
  • Phase 1 gene therapy for Duchenne muscular dystrophy using a translational optimized AAV vector. 
  • Phosphatidylinositol ether lipid analogues that inhibit AKT also independently activate the stress kinase, p38alpha, through MKK3/6-independent and -dependent mechanisms. 
  • Phospholipid vesicles interfere with the binding of antibody fragments to the light chain of factor VIII. 
  • Phosphorylation of Aspergillus fumigatus PkaR impacts growth and cell wall integrity through novel mechanisms. 
  • Photochemical energy conversion in a helical oligoproline assembly. 
  • Photoinduced Electron Transfer Elicits a Change in the Static Dielectric Constant of a de Novo Designed Protein. 
  • Photoselected electron transfer pathways in DNA photolyase. 
  • Physical constraints on charge transport through bacterial nanowires. 
  • Physical properties of cholesteryl esters. 
  • Physiological and molecular basis of thyroid hormone action. 
  • Picornavirus genome replication. Identification of the surface of the poliovirus (PV) 3C dimer that interacts with PV 3Dpol during VPg uridylylation and construction of a structural model for the PV 3C2-3Dpol complex. 
  • Plant antimutagenic agents, 7. Structure and antimutagenic properties of cymobarbatol and 4-isocymobarbatol, new cymopols from green alga (Cymopolia barbata). 
  • Plant antitumor agents. 31. The calycopterones, a new class of biflavonoids with novel cytotoxicity in a diverse panel of human tumor cell lines. 
  • Plasmid protein TubR uses a distinct mode of HTH-DNA binding and recruits the prokaryotic tubulin homolog TubZ to effect DNA partition. 
  • Plasticity of lipid-protein interactions in the function and topogenesis of the membrane protein lactose permease from Escherichia coli. 
  • Point mutations alter the mechanical stability of immunoglobulin modules. 
  • Poliovirus and its cellular receptor: a molecular genetic dissection of a virus/receptor affinity interaction. 
  • Polyclonal Broadly Neutralizing Antibody Activity Characterized by CD4 Binding Site and V3-Glycan Antibodies in a Subset of HIV-1 Virus Controllers. 
  • Polyclonal antibody responses to HIV Env immunogens resolved using cryoEM. 
  • Pore region of TRPV3 ion channel is specifically required for heat activation. 
  • Potentiometric, electronic structural, and ground- and excited-state optical properties of conjugated bis[(porphinato)zinc(II)] compounds featuring proquinoidal spacer units. 
  • Preconfiguration of the antigen-binding site during affinity maturation of a broadly neutralizing influenza virus antibody. 
  • Predicting protein-ligand interactions based on bow-pharmacological space and Bayesian additive regression trees. 
  • Predicting transition temperatures of elastin-like polypeptide fusion proteins. 
  • Preferential inhibition of Akt and killing of Akt-dependent cancer cells by rationally designed phosphatidylinositol ether lipid analogues. 
  • Prefusion structure of trimeric HIV-1 envelope glycoprotein determined by cryo-electron microscopy. 
  • Preorganized secondary structure as an important determinant of fast protein folding. 
  • Preserving the Boltzmann ensemble in replica-exchange molecular dynamics. 
  • Probing Na(+)-induced changes in the HIV-1 TAR conformational dynamics using NMR residual dipolar couplings: new insights into the role of counterions and electrostatic interactions in adaptive recognition. 
  • Probing conformational changes in human DNA topoisomerase IIα by pulsed alkylation mass spectrometry. 
  • Probing conformational transitions towards mutagenic Watson-Crick-like G·T mismatches using off-resonance sugar carbon R1ρ relaxation dispersion. 
  • Probing domain interactions in soluble guanylate cyclase. 
  • Probing for Binding Regions of the FtsZ Protein Surface through Site-Directed Insertions: Discovery of Fully Functional FtsZ-Fluorescent Proteins. 
  • Probing the architecture of the B. subtilis RNase P holoenzyme active site by cross-linking and affinity cleavage. 
  • Probing the folding intermediate of Bacillus subtilis RNase P protein by nuclear magnetic resonance. 
  • Processing of intermediates in multienzyme complexes. 
  • Processive DNA synthesis observed in a polymerase crystal suggests a mechanism for the prevention of frameshift mutations. 
  • Progress in HIV-1 vaccine development. 
  • Prokaryotic transcription regulators: more than just the helix-turn-helix motif. 
  • Proline isomerases at the crossroads of protein folding, signal transduction, and immunosuppression. 
  • Protein S-nitrosylation: purview and parameters. 
  • Protein Serine/Threonine Phosphatases: Keys to Unlocking Regulators and Substrates. 
  • Protein design and folding: template trapping of self-assembled helical bundles. 
  • Protein dynamic studies move to a new time slot. 
  • Protein dynamics and electron transfer: electronic decoherence and non-Condon effects. 
  • Protein electron transfer rates set by the bridging secondary and tertiary structure. 
  • Protein farnesyltransferase. 
  • Protein folding dynamics: quantitative comparison between theory and experiment. 
  • Protein kinase A and G protein-coupled receptor kinase phosphorylation mediates beta-1 adrenergic receptor endocytosis through different pathways. 
  • Protein kinases of malaria parasites: an update. 
  • Protein loop closure using orientational restraints from NMR data. 
  • Protein phosphorylation and intermolecular electron transfer: a joint experimental and computational study of a hormone biosynthesis pathway. 
  • Protein secondary structure determination by constrained single-particle cryo-electron tomography. 
  • Protein serine/threonine phosphatases: life, death, and sleeping. 
  • Protein side-chain resonance assignment and NOE assignment using RDC-defined backbones without TOCSY data. 
  • Protein-DNA binding in the absence of specific base-pair recognition. 
  • Protein-DNA conformational changes in the crystal structure of a lambda Cro-operator complex. 
  • Protein-Protein Docking Benchmark 2.0: an update. 
  • Protein-protein and protein-DNA interactions at the bacteriophage T4 DNA replication fork. Characterization of a fluorescently labeled DNA polymerase sliding clamp. 
  • Protein-protein docking: overview and performance analysis. 
  • Proteome-Wide Characterization of Phosphorylation-Induced Conformational Changes in Breast Cancer. 
  • Proteomic and Biochemical Studies of Lysine Malonylation Suggest Its Malonic Aciduria-associated Regulatory Role in Mitochondrial Function and Fatty Acid Oxidation. 
  • Proton nuclear magnetic resonance assignments and structural characterization of an intramolecular DNA triplex. 
  • Protonation state of Glu142 differs in the green- and blue-absorbing variants of proteorhodopsin. 
  • Pulsed EPR studies of nonexchangeable protons near the Mo(V) center of sulfite oxidase: direct detection of the alpha-proton of the coordinated cysteinyl residue and structural implications for the active site. 
  • Pulsed EPR studies of the exchangeable proton at the molybdenum center of dimethyl sulfoxide reductase. 
  • Purification and characterization of a "half-molecule" alpha 2-macroglobulin from the southern grass frog: absence of binding to the mammalian alpha 2-macroglobulin receptor. 
  • Puzzle pieces defined: locating common packing units in tertiary protein contacts. 
  • QM/MM model of the mouse olfactory receptor MOR244-3 validated by site-directed mutagenesis experiments. 
  • Quantifying kinetic paths of protein folding. 
  • Quantitative model of the phase behavior of recombinant pH-responsive elastin-like polypeptides. 
  • Quantitative structure-activity relationship (QSAR) of indoloacetamides as inhibitors of human isoprenylcysteine carboxyl methyltransferase. 
  • Quantum Mechanics/Molecular Mechanics Method Combined with Hybrid All-Atom and Coarse-Grained Model: Theory and Application on Redox Potential Calculations. 
  • Quantum mechanics/molecular mechanics minimum free-energy path for accurate reaction energetics in solution and enzymes: sequential sampling and optimization on the potential of mean force surface. 
  • Quantum-dot-decorated robust transductable bioluminescent nanocapsules 
  • RNA aptamer to thrombin binds anion-binding exosite-2 and alters protease inhibition by heparin-binding serpins. 
  • RNA aptamer-based functional ligands of the neurotrophin receptor, TrkB. 
  • RNA backbone is rotameric. 
  • RNA backbone rotamers--finding your way in seven dimensions. 
  • RNA backbone: consensus all-angle conformers and modular string nomenclature (an RNA Ontology Consortium contribution). 
  • RNA-binding domain of the A protein component of the U1 small nuclear ribonucleoprotein analyzed by NMR spectroscopy is structurally similar to ribosomal proteins. 
  • RTP family members induce functional expression of mammalian odorant receptors. 
  • Radical Breakthroughs in Natural Product and Cofactor Biosynthesis. 
  • Rapid and quantitative imaging of excitation polarized fluorescence reveals ordered septin dynamics in live yeast. 
  • Rapid chiral assembly of rigid DNA building blocks for molecular nanofabrication. 
  • Rapid determination of protein folds using residual dipolar couplings. 
  • Rapid double 8-nm steps by a kinesin mutant. 
  • Rapid evolution in plant chitinases: molecular targets of selection in plant-pathogen coevolution. 
  • Rapid protein global fold determination using ultrasparse sampling, high-dynamic range artifact suppression, and time-shared NOESY. 
  • Rapid stereoselective access to key pumiliotoxin precursors from a common intermediate. 
  • Rational Design of Selective Allosteric Inhibitors of PHGDH and Serine Synthesis with Anti-tumor Activity. 
  • Rational design and generation of recombinant control reagents for bispecific antibodies through CDR mutagenesis. 
  • Rational design of a calcium-binding protein. 
  • Reaction mechanisms of mononuclear non-heme iron oxygenases. 
  • Reaction path determination for quantum mechanical/molecular mechanical modeling of enzyme reactions by combining first order and second order "chain-of-replicas" methods. 
  • Reaction path of protein farnesyltransferase at atomic resolution. 
  • Recent developments in phasing and structure refinement for macromolecular crystallography. 
  • Recognition of lysine-rich peptide ligands by murine cortactin SH3 domain: CD, ITC, and NMR studies. 
  • Recognition of multiple drugs by a single protein: a trivial solution of an old paradox. 
  • Recombination-dependent replication of plasmids during bacteriophage T4 infection. 
  • Recommendations of the wwPDB NMR Validation Task Force. 
  • Recovering ensembles of chromatin conformations from contact probabilities. 
  • Redesigned HIV antibodies exhibit enhanced neutralizing potency and breadth. 
  • Reduced life span with heart and muscle dysfunction in Drosophila sarcoglycan mutants. 
  • Reengineering a receptor footprint of adeno-associated virus enables selective and systemic gene transfer to muscle. 
  • Regression analysis of multiple protein structures. 
  • Regulation of intrasteric inhibition of the multifunctional calcium/calmodulin-dependent protein kinase. 
  • Regulation of the amino-terminal transcription activation domain of progesterone receptor by a cofactor-induced protein folding mechanism. 
  • Regulatory switch at the cytoplasmic interface controls TRPV channel gating. 
  • Requirement of helix P2.2 and nucleotide G1 for positioning the cleavage site and cofactor of the glmS ribozyme. 
  • Residual dipolar coupling derived orientational constraints on ligand geometry in a 53 kDa protein-ligand complex. 
  • Resistance mutations at the lipid substrate binding site of Plasmodium falciparum protein farnesyltransferase. 
  • Resolving fast and slow motions in the internal loop containing stem-loop 1 of HIV-1 that are modulated by Mg2+ binding: role in the kissing-duplex structural transition. 
  • Revealing A-T and G-C Hoogsteen base pairs in stressed protein-bound duplex DNA. 
  • Revealing noncovalent interactions. 
  • Ribosomal RACK1:Protein Kinase C βII Modulates Intramolecular Interactions between Unstructured Regions of Eukaryotic Initiation Factor 4G (eIF4G) That Control eIF4E and eIF3 Binding. 
  • Ribosomal RACK1:Protein Kinase C βII Phosphorylates Eukaryotic Initiation Factor 4G1 at S1093 To Modulate Cap-Dependent and -Independent Translation Initiation. 
  • Ribosome exchange revisited: a mechanism for translation-coupled ribosome detachment from the ER membrane. 
  • Robust IR-based detection of stable and fractionally populated G-C+ and A-T Hoogsteen base pairs in duplex DNA. 
  • Role of C-terminal serines in desensitization and phosphorylation of the mouse thromboxane receptor. 
  • Role of HIV membrane in neutralization by two broadly neutralizing antibodies. 
  • Role of arginine 180 and glutamic acid 177 of ricin toxin A chain in enzymatic inactivation of ribosomes. 
  • Role of aspartic acid 38 in the cofactor specificity of Drosophila alcohol dehydrogenase. 
  • Role of conserved residues within the carboxy phosphate domain of carbamoyl phosphate synthetase. 
  • Role of histone tails in chromatin folding revealed by a mesoscopic oligonucleosome model. 
  • Role of residue 147 in the gene regulatory function of the Escherichia coli purine repressor. 
  • Role of the gamma-carboxyglutamic acid domain of activated factor X in the presence of calcium during inhibition by antithrombin-heparin. 
  • Roles of bilayer material properties in function and distribution of membrane proteins. 
  • Rotation of the stalk/neck and one head in a new crystal structure of the kinesin motor protein, Ncd. 
  • Rotational Symmetry of Two Pyrethroid Receptor Sites in the Mosquito Sodium Channel. 
  • SIRT4 Is a Lysine Deacylase that Controls Leucine Metabolism and Insulin Secretion. 
  • Salicylic acid activates DNA damage responses to potentiate plant immunity. 
  • Sampling of the NMR time domain along concentric rings. 
  • Saturation mutagenesis of His114 of EcoRI reveals relaxed-specificity mutants. 
  • Scaling behavior of nanopatterned polymer brushes. 
  • Schematic drawings of protein structures. 
  • Sculpting proteins interactively: continual energy minimization embedded in a graphical modeling system. 
  • Secondary structure encodes a cooperative tertiary folding funnel in the Azoarcus ribozyme. 
  • Secondary structure of the self-cleaving RNA of hepatitis delta virus: applications to catalytic RNA design. 
  • Seeing the PDB. 
  • Seeking truth on Monte Verita. Workshop on the molecular biology and biochemistry of septins and septin function. 
  • Segrosome structure revealed by a complex of ParR with centromere DNA. 
  • Selection of peptides that target the aminoacyl-tRNA site of bacterial 16S ribosomal RNA. 
  • Selective LXXLL peptides antagonize transcriptional activation by the retinoid-related orphan receptor RORgamma. 
  • Self-assembling peptide-polymer hydrogels designed from the coiled coil region of fibrin. 
  • Septin Form and Function at the Cell Cortex. 
  • Sequence divergence of coiled coils--structural rods, myosin filament packing, and the extraordinary conservation of cohesins. 
  • Sex in the Mucoralean fungi. 
  • Shapes of antibody binding sites: qualitative and quantitative analyses based on a geomorphic classification scheme. 
  • Short-lived alpha-helical intermediates in the folding of beta-sheet proteins. 
  • Shortening the HIV-1 TAR RNA Bulge by a Single Nucleotide Preserves Motional Modes over a Broad Range of Time Scales. 
  • Side-chain specificities and molecular modelling of peptide determinants for two anti-Sm B/B' autoantibodies. 
  • Signal irreproducibility in high-field solution magnetic resonance experiments caused by spin turbulence. 
  • Signatures of protein-DNA recognition in free DNA binding sites. 
  • Similarity of three-dimensional structure between the immunoglobulin domain and the copper, zinc superoxide dismutase subunit. 
  • Simulating water with the self-consistent-charge density functional tight binding method: from molecular clusters to the liquid state. 
  • Simulation of scanning tunneling microscope images of 1,3-cyclohexadiene bound to a silicon surface. 
  • Simultaneous Bayesian estimation of alignment and phylogeny under a joint model of protein sequence and structure. 
  • Single amino acid changes can influence titer, heparin binding, and tissue tropism in different adeno-associated virus serotypes. 
  • Single molecular force spectroscopy of modular proteins in the nervous system. 
  • Single residues in the outer pore of TRPV1 and TRPV3 have temperature-dependent conformations. 
  • Single-handed helical wrapping of single-walled carbon nanotubes by chiral, ionic, semiconducting polymers. 
  • Site-Specific and Stoichiometric Stealth Polymer Conjugates of Therapeutic Peptides and Proteins. 
  • Site-directed mutagenesis studies of the high-affinity streptavidin-biotin complex: contributions of tryptophan residues 79, 108, and 120. 
  • Site-specific PEGylation of hemoglobin at Cys-93(beta): correlation between the colligative properties of the PEGylated protein and the length of the conjugated PEG chain. 
  • Site-specific incorporation of 3-nitrotyrosine as a probe of pKa perturbation of redox-active tyrosines in ribonucleotide reductase. 
  • Six-helix bundle assembly and characterization of heptad repeat regions from the F protein of Newcastle disease virus. 
  • Sliding clamp of the bacteriophage T4 polymerase has open and closed subunit interfaces in solution. 
  • Sliding clamp-DNA interactions are required for viability and contribute to DNA polymerase management in Escherichia coli. 
  • SlmA forms a higher-order structure on DNA that inhibits cytokinetic Z-ring formation over the nucleoid. 
  • Solution NMR studies of the A beta(1-40) and A beta(1-42) peptides establish that the Met35 oxidation state affects the mechanism of amyloid formation. 
  • Solution NMR studies of the plant peptide hormone CEP inform function. 
  • Solution structure and function of YndB, an AHSA1 protein from Bacillus subtilis. 
  • Solution structure of Apaf-1 CARD and its interaction with caspase-9 CARD: a structural basis for specific adaptor/caspase interaction. 
  • Solution structure of a peptide nucleic acid duplex from NMR data: features and limitations. 
  • Solution structure of a pyrimidine-purine-pyrimidine triplex containing the sequence-specific intercalating non-natural base D3. 
  • Solution structure of a sweet protein single-chain monellin determined by nuclear magnetic resonance and dynamical simulated annealing calculations. 
  • Solution structure of the CIDE-N domain of CIDE-B and a model for CIDE-N/CIDE-N interactions in the DNA fragmentation pathway of apoptosis. 
  • Solution structure of the Set2-Rpb1 interacting domain of human Set2 and its interaction with the hyperphosphorylated C-terminal domain of Rpb1. 
  • Solution structure of the Ubp-M BUZ domain, a highly specific protein module that recognizes the C-terminal tail of free ubiquitin. 
  • Solution structure of the core NFATC1/DNA complex. 
  • Sparsely-sampled, high-resolution 4-D omit spectra for detection and assignment of intermolecular NOEs of protein complexes. 
  • Spatial localization of the Ebola virus glycoprotein mucin-like domain determined by cryo-electron tomography. 
  • Species-specific and inhibitor-dependent conformations of LpxC: implications for antibiotic design. 
  • Specificity determinants in phosphoinositide dephosphorylation: crystal structure of an archetypal inositol polyphosphate 5-phosphatase. 
  • Spectrin and ankyrin-based pathways: metazoan inventions for integrating cells into tissues. 
  • Stabilization of μ-opioid receptor facilitates its cellular translocation and signaling. 
  • Stabilizing exposure of conserved epitopes by structure guided insertion of disulfide bond in HIV-1 envelope glycoprotein. 
  • Stable exposure of the coreceptor-binding site in a CD4-independent HIV-1 envelope protein. 
  • Statistical analysis of RNA backbone. 
  • Statistical characterization of protein ensembles. 
  • Statistical estimation of statistical mechanical models: helix-coil theory and peptide helicity prediction. 
  • Statistical prediction and molecular dynamics simulation. 
  • Stereoselective synthesis and osteogenic activity of subglutinols A and B 
  • Streptavidin-biotin binding energetics. 
  • Stretching fibronectin. 
  • Structural Basis for Recognition of Ubiquitylated Nucleosome by Dot1L Methyltransferase. 
  • Structural Basis of WLS/Evi-Mediated Wnt Transport and Secretion. 
  • Structural Insights into Electrophile Irritant Sensing by the Human TRPA1 Channel. 
  • Structural Repertoire of HIV-1-Neutralizing Antibodies Targeting the CD4 Supersite in 14 Donors. 
  • Structural analyses of Ca²⁺/CaM interaction with NaV channel C-termini reveal mechanisms of calcium-dependent regulation. 
  • Structural analysis of a periplasmic binding protein in the tripartite ATP-independent transporter family reveals a tetrameric assembly that may have a role in ligand transport. 
  • Structural analysis of semi-specific oligosaccharide recognition by a cellulose-binding protein of thermotoga maritima reveals adaptations for functional diversification of the oligopeptide periplasmic binding protein fold. 
  • Structural analysis, identification, and design of calcium-binding sites in proteins. 
  • Structural and Biochemical Characterization of the Francisella tularensis Pathogenicity Regulator, Macrophage Locus Protein A (MglA). 
  • Structural and Functional Analyses Reveal Insights into the Molecular Properties of the Escherichia coli Z Ring Stabilizing Protein, ZapC. 
  • Structural and biochemical characterization of MepR, a multidrug binding transcription regulator of the Staphylococcus aureus multidrug efflux pump MepA. 
  • Structural and functional interactions between six-transmembrane μ-opioid receptors and β2-adrenoreceptors modulate opioid signaling. 
  • Structural and immunologic correlates of chemically stabilized HIV-1 envelope glycoproteins. 
  • Structural and thermodynamic characterization of a cytoplasmic dynein light chain-intermediate chain complex. 
  • Structural basis for ADP-mediated transcriptional regulation by P1 and P7 ParA. 
  • Structural basis for HIV-1 neutralization by a gp41 fusion intermediate-directed antibody. 
  • Structural basis for SH2D1A mutations in X-linked lymphoproliferative disease. 
  • Structural basis for allosteric control of the transcription regulator CcpA by the phosphoprotein HPr-Ser46-P. 
  • Structural basis for cooperative DNA binding by two dimers of the multidrug-binding protein QacR. 
  • Structural basis for diverse N-glycan recognition by HIV-1-neutralizing V1-V2-directed antibody PG16. 
  • Structural basis for impaired 5' processing of a mutant tRNA associated with defects in neuronal homeostasis. 
  • Structural basis for the 3'-5' exonuclease activity of Escherichia coli DNA polymerase I: a two metal ion mechanism. 
  • Structural basis for the metal-selective activation of the manganese transport regulator of Bacillus subtilis. 
  • Structural basis for the recognition of a bisphosphorylated MAP kinase peptide by human VHR protein Phosphatase. 
  • Structural basis for the remarkable stability of Bacillus subtilis lipase (Lip A) at low pH. 
  • Structural basis for the root effect in haemoglobin. 
  • Structural basis of JAZ repression of MYC transcription factors in jasmonate signalling. 
  • Structural basis of O-GlcNAc recognition by mammalian 14-3-3 proteins. 
  • Structural basis of Rev1-mediated assembly of a quaternary vertebrate translesion polymerase complex consisting of Rev1, heterodimeric polymerase (Pol) ζ, and Pol κ. 
  • Structural basis of beta-adrenergic receptor subtype specificity studied with chimeric beta 1/beta 2-adrenergic receptors. 
  • Structural basis of cooling agent and lipid sensing by the cold-activated TRPM8 channel. 
  • Structural basis of core promoter recognition in a primitive eukaryote. 
  • Structural basis of diverse membrane target recognitions by ankyrins. 
  • Structural basis of glycan276-dependent recognition by HIV-1 broadly neutralizing antibodies. 
  • Structural basis of lipid binding for the membrane-embedded tetraacyldisaccharide-1-phosphate 4'-kinase LpxK. 
  • Structural basis of multidrug recognition by BmrR, a transcription activator of a multidrug transporter. 
  • Structural basis of multifunctional bovine mitochondrial cytochrome bc1 complex. 
  • Structural basis of pilus subunit recognition by the PapD chaperone. 
  • Structural basis of salicylic acid perception by Arabidopsis NPR proteins. 
  • Structural basis of selection and thermostability of laboratory evolved Bacillus subtilis lipase. 
  • Structural basis of small molecule ATPase inhibition of a human mitotic kinesin motor protein. 
  • Structural basis of the intrasteric regulation of myosin light chain kinases. 
  • Structural basis of the promiscuous inhibitor susceptibility of Escherichia coli LpxC. 
  • Structural biology of bacterial multidrug resistance gene regulators. 
  • Structural biology of plasmid partition: uncovering the molecular mechanisms of DNA segregation. 
  • Structural biology of plasmid segregation proteins. 
  • Structural comparison of the free and DNA-bound forms of the purine repressor DNA-binding domain. 
  • Structural definition of an antibody-dependent cellular cytotoxicity response implicated in reduced risk for HIV-1 infection. 
  • Structural evidence for the rare tautomer hypothesis of spontaneous mutagenesis. 
  • Structural evidence that the P/Q domain of ZipA is an unstructured, flexible tether between the membrane and the C-terminal FtsZ-binding domain. 
  • Structural impact of K63 ubiquitin on yeast translocating ribosomes under oxidative stress. 
  • Structural insights into alternative splicing-mediated desensitization of jasmonate signaling. 
  • Structural insights into corepressor recognition by antagonist-bound estrogen receptors. 
  • Structural insights into inhibition of lipid I production in bacterial cell wall synthesis. 
  • Structural interconversions modulate activity of Escherichia coli ribonucleotide reductase. 
  • Structural mechanism for the fine-tuning of CcpA function by the small molecule effectors glucose 6-phosphate and fructose 1,6-bisphosphate. 
  • Structural mechanism of Staphylococcus aureus Hfq binding to an RNA A-tract. 
  • Structural mechanism of glutamate receptor activation and desensitization. 
  • Structural mechanism of organic hydroperoxide induction of the transcription regulator OhrR. 
  • Structural mechanism of the simultaneous binding of two drugs to a multidrug-binding protein. 
  • Structural mechanism of transcription regulation of the Staphylococcus aureus multidrug efflux operon mepRA by the MarR family repressor MepR. 
  • Structural mechanism of trimeric HIV-1 envelope glycoprotein activation. 
  • Structural mechanisms of QacR induction and multidrug recognition. 
  • Structural mechanisms of multidrug recognition and regulation by bacterial multidrug transcription factors. 
  • Structural model of human ceruloplasmin based on internal triplication, hydrophilic/hydrophobic character, and secondary structure of domains. 
  • Structural origin of the high affinity of a chemically evolved lanthanide-binding peptide. 
  • Structural plasticity and Mg2+ binding properties of RNase P P4 from combined analysis of NMR residual dipolar couplings and motionally decoupled spin relaxation. 
  • Structural properties of a subset of nephritogenic anti-DNA antibodies. 
  • Structural properties of an active form of rabbit muscle phosphofructokinase. 
  • Structural reorganization and preorganization in enzyme active sites: comparisons of experimental and theoretically ideal active site geometries in the multistep serine esterase reaction cycle. 
  • Structural studies and protein engineering of inositol phosphate multikinase. 
  • Structural studies of Klenow fragment: an enzyme with two active sites. 
  • Structural studies of binding site tryptophan mutants in the high-affinity streptavidin-biotin complex. 
  • Structural studies of molybdopterin synthase provide insights into its catalytic mechanism. 
  • Structural, Biochemical, and In Vivo Characterization of MtrR-Mediated Resistance to Innate Antimicrobials by the Human Pathogen Neisseria gonorrhoeae. 
  • Structurally Mapping Antigenic Epitopes of Adeno-associated Virus 9: Development of Antibody Escape Variants. 
  • Structure and Affinity of Cu(I) Bound to Human Serum Albumin. 
  • Structure and Asn-Pro-Phe binding pocket of the Eps15 homology domain. 
  • Structure and accessibility of HA trimers on intact 2009 H1N1 pandemic influenza virus to stem region-specific neutralizing antibodies. 
  • Structure and folding of nascent polypeptide chains during protein translocation in the endoplasmic reticulum. 
  • Structure and function of the glycosaminoglycan binding site of chemokine macrophage-inflammatory protein-1 beta. 
  • Structure and function of the visual arrestin oligomer. 
  • Structure and functional properties of the Bacillus subtilis transcriptional repressor Rex. 
  • Structure and hydride transfer mechanism of a moderate thermophilic dihydrofolate reductase from Bacillus stearothermophilus and comparison to its mesophilic and hyperthermophilic homologues. 
  • Structure and immune recognition of trimeric pre-fusion HIV-1 Env. 
  • Structure and mechanism of copper, zinc superoxide dismutase. 
  • Structure and stability of monomeric lambda repressor: NMR evidence for two-state folding. 
  • Structure based design of a series of potent and selective non peptidic PTP-1B inhibitors. 
  • Structure determination of human and murine beta-defensins reveals structural conservation in the absence of significant sequence similarity. 
  • Structure determination of selenomethionyl S-adenosylhomocysteine hydrolase using data at a single wavelength. 
  • Structure of DNA polymerase I Klenow fragment bound to duplex DNA. 
  • Structure of FitAB from Neisseria gonorrhoeae bound to DNA reveals a tetramer of toxin-antitoxin heterodimers containing pin domains and ribbon-helix-helix motifs. 
  • Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9. 
  • Structure of a Z-DNA with two different backbone chain conformations. Stabilization of the decadeoxyoligonucleotide d(CGTACGTACG) by [Co(NH3)6]3+ binding to the guanine. 
  • Structure of a fibronectin type III domain from tenascin phased by MAD analysis of the selenomethionyl protein. 
  • Structure of a four-way bridged ParB-DNA complex provides insight into P1 segrosome assembly. 
  • Structure of a trimeric bacterial microcompartment shell protein, EtuB, associated with ethanol utilization in Clostridium kluyveri. 
  • Structure of active β-arrestin-1 bound to a G-protein-coupled receptor phosphopeptide. 
  • Structure of an HIV-1-neutralizing antibody target, the lipid-bound gp41 envelope membrane proximal region trimer. 
  • Structure of an endosomal signaling GPCR-G protein-β-arrestin megacomplex. 
  • Structure of oxidative- and photo-phosphorylation coupling factor complexes. 
  • Structure of protein geranylgeranyltransferase-I from the human pathogen Candida albicans complexed with a lipid substrate. 
  • Structure of the F-spondin domain of mindin, an integrin ligand and pattern recognition molecule. 
  • Structure of the LpxC deacetylase with a bound substrate-analog inhibitor. 
  • Structure of the M2 muscarinic receptor-β-arrestin complex in a lipid nanodisc. 
  • Structure of the N-terminal domain of GRP94. Basis for ligand specificity and regulation. 
  • Structure of the cold- and menthol-sensing ion channel TRPM8. 
  • Structure of the crystalline bilayer in the subgel phase of dipalmitoylphosphatidylglycerol. 
  • Structure of the cytochrome c oxidase dimer. Electron microscopy of two-dimensional crystals. 
  • Structure of the deacetylase LpxC bound to the antibiotic CHIR-090: Time-dependent inhibition and specificity in ligand binding. 
  • Structure of the endonuclease domain of MutL: unlicensed to cut. 
  • Structure of the essential Haemophilus influenzae UDP-diacylglucosamine pyrophosphohydrolase LpxH in lipid A biosynthesis. 
  • Structure of the gating domain of a Ca2+-activated K+ channel complexed with Ca2+/calmodulin. 
  • Structure of the human MutSalpha DNA lesion recognition complex. 
  • Structure of the major peanut allergen Ara h 1 may protect IgE-binding epitopes from degradation. 
  • Structure of the manganese-bound manganese transport regulator of Bacillus subtilis. 
  • Structure of the outer membrane translocator domain of the Haemophilus influenzae Hia trimeric autotransporter. 
  • Structure of the polyisoprenyl-phosphate glycosyltransferase GtrB and insights into the mechanism of catalysis. 
  • Structure of the ubiquitin-binding zinc finger domain of human DNA Y-polymerase eta. 
  • Structure of β-galactosidase at 3.2-Å resolution obtained by cryo-electron microscopy. 
  • Structure validation by Calpha geometry: phi,psi and Cbeta deviation. 
  • Structure, binding interface and hydrophobic transitions of Ca2+-loaded calbindin-D(28K). 
  • Structure, function and pharmacology of human itch GPCRs. 
  • Structure, inhibition, and regulation of essential lipid A enzymes. 
  • Structure-Function Analysis of Interallelic Complementation in ROOTY Transheterozygotes. 
  • Structure-based design and synthesis of potent, ethylenediamine-based, mammalian farnesyltransferase inhibitors as anticancer agents. 
  • Structure-based design of robust glucose biosensors using a Thermotoga maritima periplasmic glucose-binding protein. 
  • Structure-based design, synthesis, and biochemical and pharmacological characterization of novel salvinorin A analogues as active state probes of the kappa-opioid receptor. 
  • Structure-based engineering of environmentally sensitive fluorophores for monitoring protein-protein interactions. 
  • Structure-based high-throughput epitope analysis of hexon proteins in B and C species human adenoviruses (HAdVs). 
  • Structure-based identification and neutralization mechanism of tyrosine sulfate mimetics that inhibit HIV-1 entry. 
  • Structure-function relationships of the complement regulatory protein, CD59. 
  • Structure-guided DOT1L probe optimization by label-free ligand displacement. 
  • Structure-guided evolution of antigenically distinct adeno-associated virus variants for immune evasion. 
  • Structure-guided reprogramming of serine recombinase DNA sequence specificity. 
  • Structure-guided synthesis of tamoxifen analogs with improved selectivity for the orphan ERRgamma. 
  • Structures involved in Tetrahymena rRNA self-splicing and RNA enzyme activity. 
  • Structures of AAA protein translocase Bcs1 suggest translocation mechanism of a folded protein. 
  • Structures of Bacterial MraY and Human GPT Provide Insights into Rational Antibiotic Design. 
  • Structures of HIV-1 Env V1V2 with broadly neutralizing antibodies reveal commonalities that enable vaccine design. 
  • Structures of MERS1, the 5' processing enzyme of mitochondrial mRNAs in Trypanosoma brucei. 
  • Structures of ParB bound to DNA reveal mechanism of partition complex formation. 
  • Structures of Pathogenic Fungal FKBP12s Reveal Possible Self-Catalysis Function. 
  • Structures of carbon catabolite protein A-(HPr-Ser46-P) bound to diverse catabolite response element sites reveal the basis for high-affinity binding to degenerate DNA operators. 
  • Structures of human ENT1 in complex with adenosine reuptake inhibitors. 
  • Structures of human Patched and its complex with native palmitoylated sonic hedgehog. 
  • Structures of human exonuclease 1 DNA complexes suggest a unified mechanism for nuclease family. 
  • Structures of mismatch replication errors observed in a DNA polymerase. 
  • Structures of partition protein ParA with nonspecific DNA and ParB effector reveal molecular insights into principles governing Walker-box DNA segregation. 
  • Structures of regulatory machinery reveal novel molecular mechanisms controlling B. subtilis nitrogen homeostasis. 
  • Structures of the Bacillus subtilis glutamine synthetase dodecamer reveal large intersubunit catalytic conformational changes linked to a unique feedback inhibition mechanism. 
  • Structures of the CCR5 N terminus and of a tyrosine-sulfated antibody with HIV-1 gp120 and CD4. 
  • Structures of the Escherichia coli transcription activator and regulator of diauxie, XylR: an AraC DNA-binding family member with a LacI/GalR ligand-binding domain. 
  • Structures of the T. brucei kRNA editing factor MRB1590 reveal unique RNA-binding pore motif contained within an ABC-ATPase fold. 
  • Structures of the activator of K. pneumonia biofilm formation, MrkH, indicates PilZ domains involved in c-di-GMP and DNA binding. 
  • Structures of the bacterial ribosome in classical and hybrid states of tRNA binding. 
  • Structures of the pleiotropic translational regulator Hfq and an Hfq-RNA complex: a bacterial Sm-like protein. 
  • Structures of the siroheme- and Fe4S4-containing active center of sulfite reductase in different states of oxidation: heme activation via reduction-gated exogenous ligand exchange. 
  • Studying and polishing the PDB's macromolecules. 
  • Submillisecond folding of monomeric lambda repressor. 
  • Substrate Selectivity of Lysophospholipid Transporter LplT Involved in Membrane Phospholipid Remodeling in Escherichia coli. 
  • Substrate binding is required for release of product from mammalian protein farnesyltransferase. 
  • Substrate promiscuity: AglB, the archaeal oligosaccharyltransferase, can process a variety of lipid-linked glycans. 
  • Substrate recognition by the EcoRI endonuclease. 
  • Subunit IV of cytochrome bc1 complex from Rhodobacter sphaeroides. Localization of regions essential for interaction with the three-subunit core complex. 
  • Sulfate as a synergistic anion facilitating iron binding by the bacterial transferrin FbpA: the origins and effects of anion promiscuity. 
  • Sulfite reductase structure at 1.6 A: evolution and catalysis for reduction of inorganic anions. 
  • Suppression of conformational heterogeneity at a protein-protein interface. 
  • Surface loop dynamics in adeno-associated virus capsid assembly. 
  • Surface structure of human mucin using X-ray photoelectron spectroscopy. 
  • Surface-stress-induced phase transformation in metal nanowires. 
  • Synergistic effect of aptamers that inhibit exosites 1 and 2 on thrombin. 
  • Synthesis and NK(1)/NK(2) binding activities of a series of diacyl-substituted 2-arylpiperazines. 
  • Synthesis and evaluation of a novel series of 2-chloro-5-((1-methyl-2-(S)-pyrrolidinyl)methoxy)-3-(2-(4-pyridinyl)vinyl)pyridine analogues as potential positron emission tomography imaging agents for nicotinic acetylcholine receptors. 
  • Synthesis and receptor affinities of some conformationally restricted analogues of the dopamine D1 selective ligand (5R)-8-chloro-2,3,4,5-tetrahydro-3-methyl-5-phenyl- 1H-3-benzazepin-7-ol. 
  • Synthesis and structure-activity relationship of a novel series of aminoalkylindoles with potential for imaging the neuronal cannabinoid receptor by positron emission tomography. 
  • Synthesis of new 2'-deoxy-2'-fluoro-4'-azido nucleoside analogues as potent anti-HIV agents. 
  • Synthesis, dopaminergic profile, and molecular dynamics calculations of N-aralkyl substituted 2-aminoindans. 
  • Synthesis, structure, and antibiotic activity of aryl-substituted LpxC inhibitors. 
  • Synthetic HIV V3 Glycopeptide Immunogen Carrying a N334 N-Glycan Induces Glycan-Dependent Antibodies with Promiscuous Site Recognition. 
  • Synthetic autoantigens of immunoglobulins and T-cell receptors: their recognition in aging, infection, and autoimmunity. 
  • Systematic solution to homo-oligomeric structures determined by NMR. 
  • TBK1 Limits mTORC1 by Promoting Phosphorylation of Raptor Ser877. 
  • TBX5-encoded T-box transcription factor 5 variant T223M is associated with long QT syndrome and pediatric sudden cardiac death. 
  • TRPV channel-mediated calcium transients in nociceptor neurons are dispensable for avoidance behaviour. 
  • TRPV1 temperature activation is specifically sensitive to strong decreases in amino acid hydrophobicity. 
  • Target domain definition and classification in CASP8. 
  • Target enzyme recognition by calmodulin: 2.4 A structure of a calmodulin-peptide complex. 
  • Targeted entry via somatostatin receptors using a novel modified retrovirus glycoprotein that delivers genes at levels comparable to those of wild-type viral glycoproteins. 
  • Targeting Fluorescent Nanodiamonds to Vascular Endothelial Growth Factor Receptors in Tumor. 
  • Targeting Pim Kinases and DAPK3 to Control Hypertension. 
  • Targeting RNA with cysteine-constrained peptides. 
  • Targeting specific PDZ domains of PSD-95; structural basis for enhanced affinity and enzymatic stability of a cyclic peptide. 
  • Temperature-Dependent Interactions Explain Normal and Inverted Solubility in a γD-Crystallin Mutant. 
  • Temperature-sensitive mutants of the EcoRI endonuclease. 
  • Temperature-sensitive mutations in the III-IV cytoplasmic loop region of the skeletal muscle sodium channel gene in paramyotonia congenita. 
  • Template-based docking of a prolactin receptor proline-rich motif octapeptide to FKBP12: implications for cytokine receptor signaling. 
  • Ternary complex structure of human HGPRTase, PRPP, Mg2+, and the inhibitor HPP reveals the involvement of the flexible loop in substrate binding. 
  • Tetrameric c-di-GMP mediates effective transcription factor dimerization to control Streptomyces development. 
  • The 2.0 A crystal structure of a heterotrimeric G protein. 
  • The 6.9-A structure of GlpF: a basis for homology modeling of the glycerol channel from Escherichia coli. 
  • The Alacoil: a very tight, antiparallel coiled-coil of helices. 
  • The C-terminal linker of Escherichia coli FtsZ functions as an intrinsically disordered peptide. 
  • The Chlamydia trachomatis Protease CPAF Contains a Cryptic PDZ-Like Domain with Similarity to Human Cell Polarity and Tight Junction PDZ-Containing Proteins. 
  • The Closing Mechanism of DNA Polymerase I at Atomic Resolution. 
  • The Drosophila Tis11 protein and its effects on mRNA expression in flies. 
  • The Ess1 prolyl isomerase is linked to chromatin remodeling complexes and the general transcription machinery. 
  • The FtsZ protofilament and attachment of ZipA--structural constraints on the FtsZ power stroke. 
  • The Galpha protein Gpa2 controls yeast differentiation by interacting with kelch repeat proteins that mimic Gbeta subunits. 
  • The Glycan Hole Area of HIV-1 Envelope Trimers Contributes Prominently to the Induction of Autologous Neutralization. 
  • The MerR-like protein BldC binds DNA direct repeats as cooperative multimers to regulate Streptomyces development. 
  • The MutSalpha-proliferating cell nuclear antigen interaction in human DNA mismatch repair. 
  • The N-terminal 14-mer model peptide of human Ctr1 can collect Cu(ii) from albumin. Implications for copper uptake by Ctr1. 
  • The NMR solution structure of BeF(3)(-)-activated Spo0F reveals the conformational switch in a phosphorelay system. 
  • The Receptor Site and Mechanism of Action of Sodium Channel Blocker Insecticides. 
  • The Staphylococcus aureus pSK41 plasmid-encoded ArtA protein is a master regulator of plasmid transmission genes and contains a RHH motif used in alternate DNA-binding modes. 
  • The Streptomyces master regulator BldD binds c-di-GMP sequentially to create a functional BldD2-(c-di-GMP)4 complex. 
  • The Structure of the Biofilm-controlling Response Regulator BfmR from Acinetobacter baumannii Reveals Details of Its DNA-binding Mechanism. 
  • The T4 phage SF1B helicase Dda is structurally optimized to perform DNA strand separation. 
  • The TetR family of transcriptional repressors. 
  • The activation domain of the MotA transcription factor from bacteriophage T4. 
  • The alpha-helical domain of Galphat determines specific interaction with regulator of G protein signaling 9. 
  • The anatomy and taxonomy of protein structure. 
  • The aquaporin sidedness revisited. 
  • The aquaporins, blueprints for cellular plumbing systems. 
  • The arrangement of the immunoglobulin-like domains of ICAM-1 and the binding sites for LFA-1 and rhinovirus. 
  • The backbone structure of the thermophilic Thermoanaerobacter tengcongensis ribose binding protein is essentially identical to its mesophilic E. coli homolog. 
  • The backrub motion: how protein backbone shrugs when a sidechain dances. 
  • The beta bulge: a common small unit of nonrepetitive protein structure. 
  • The beta sliding clamp binds to multiple sites within MutL and MutS. 
  • The betagamma subunit of heterotrimeric G proteins interacts with RACK1 and two other WD repeat proteins. 
  • The binding site of human adenosine deaminase for CD26/Dipeptidyl peptidase IV: the Arg142Gln mutation impairs binding to cd26 but does not cause immune deficiency. 
  • The chiroptical signature of achiral metal clusters induced by dissymmetric adsorbates. 
  • The cis-Pro touch-turn: a rare motif preferred at functional sites. 
  • The compact conformation of fibronectin is determined by intramolecular ionic interactions. 
  • The crystal structure of Escherichia coli MoeA and its relationship to the multifunctional protein gephyrin. 
  • The crystal structure of a collagen-like polypeptide with 3(S)-hydroxyproline residues in the Xaa position forms a standard 7/2 collagen triple helix. 
  • The crystal structure of a thermophilic glucose binding protein reveals adaptations that interconvert mono and di-saccharide binding sites. 
  • The crystal structure of bovine Cu2+,Zn2+ superoxide dismutase at 5.5-A resolution. 
  • The crystal structure of human protein farnesyltransferase reveals the basis for inhibition by CaaX tetrapeptides and their mimetics. 
  • The crystal structure of the Escherichia coli MobA protein provides insight into molybdopterin guanine dinucleotide biosynthesis. 
  • The crystal structure of the RsbN-σBldN complex from Streptomyces venezuelae defines a new structural class of anti-σ factor. 
  • The crystal structure of the TetR family transcriptional repressor SimR bound to DNA and the role of a flexible N-terminal extension in minor groove binding. 
  • The crystal structure of the catalytic domain of a eukaryotic guanylate cyclase. 
  • The crystal structure of the collagen-like polypeptide (glycyl-4(R)-hydroxyprolyl-4(R)-hydroxyprolyl)9 at 1.55 A resolution shows up-puckering of the proline ring in the Xaa position. 
  • The cytoplasmic prolyl-tRNA synthetase of the malaria parasite is a dual-stage target of febrifugine and its analogs. 
  • The disulfide bonding pattern in ficolin multimers. 
  • The energy landscape of a fast-folding protein mapped by Ala-->Gly substitutions. 
  • The force-driven conformations of heparin studied with single molecule force microscopy. 
  • The helix-turn-helix DNA binding motif. 
  • The higher affinity of human type 1 3beta-hydroxysteroid dehydrogenase (3beta-HSD1) for substrate and inhibitor steroids relative to human 3beta-HSD2 is validated in MCF-7 tumor cells and related to subunit interactions. 
  • The human ACC2 CT-domain C-terminus is required for full functionality and has a novel twist. 
  • The human T-cell leukemia virus-1 transcriptional activator Tax enhances cAMP-responsive element-binding protein (CREB) binding activity through interactions with the DNA minor groove. 
  • The impact of aging on adrenergic receptor function: clinical and biochemical aspects. 
  • The importance of residue-level filtering and the Top2018 best-parts dataset of high-quality protein residues. 
  • The integrity of a cholesterol-binding pocket in Niemann-Pick C2 protein is necessary to control lysosome cholesterol levels. 
  • The interaction of polyphenols with bilayers: conditions for increasing bilayer adhesion. 
  • The kinemage: a tool for scientific communication. 
  • The mechanical stability of ubiquitin is linkage dependent. 
  • The molecular determinants of estrogen receptor pharmacology. 
  • The molecular mechanisms of allosteric mutations impairing MepR repressor function in multidrug-resistant strains of Staphylococcus aureus. 
  • The natural diterpene tonantzitlolone A and its synthetic enantiomer inhibit cell proliferation and kinesin-5 function. 
  • The other 90% of the protein: assessment beyond the Calphas for CASP8 template-based and high-accuracy models. 
  • The penultimate rotamer library. 
  • The pore-domain of TRPA1 mediates the inhibitory effect of the antagonist 6-methyl-5-(2-(trifluoromethyl)phenyl)-1H-indazole. 
  • The protein backbone makes important contributions to 4-oxalocrotonate tautomerase enzyme catalysis: understanding from theory and experiment. 
  • The protein surface is a moving target. 
  • The purinome, a complex mix of drug and toxicity targets. 
  • The rational design of allosteric interactions in a monomeric protein and its applications to the construction of biosensors. 
  • The role of cavitation in liposome formation. 
  • The role of metals in mammalian olfaction of low molecular weight organosulfur compounds. 
  • The role of the specificity-determining loop of the integrin beta subunit I-like domain in autonomous expression, association with the alpha subunit, and ligand binding. 
  • The role of the supernumerary subunit of Rhodobacter sphaeroides cytochrome bc1 complex. 
  • The role of thickness transitions in convective assembly. 
  • The role of tyrosine 343 in substrate binding and catalysis by human sulfite oxidase. 
  • The significance of degenerate processes to enantioselective olefin metathesis reactions promoted by stereogenic-at-Mo complexes. 
  • The single-molecule conductance and electrochemical electron-transfer rate are related by a power law. 
  • The singly-wound parallel beta barrel: a proposed structure for 2-keto-3-deoxy-6-phosphogluconate aldolase. 
  • The small subunit of the mammalian mitochondrial ribosome. Identification of the full complement of ribosomal proteins present. 
  • The statistical conformation of a highly flexible protein: small-angle X-ray scattering of S. aureus protein A. 
  • The straight and curved conformation of FtsZ protofilaments-evidence for rapid exchange of GTP into the curved protofilament. 
  • The structural basis for the mutagenicity of O(6)-methyl-guanine lesions. 
  • The structural basis for the selectivity of benzotriazole inhibitors of PTP1B. 
  • The structural basis of repertoire shift in an immune response to phosphocholine. 
  • The structural distribution of cooperative interactions in proteins: analysis of the native state ensemble. 
  • The structural mechanism for transcription activation by MerR family member multidrug transporter activation, N terminus. 
  • The structural mechanism of GTP stabilized oligomerization and catalytic activation of the Toxoplasma gondii uracil phosphoribosyltransferase. 
  • The structure of PurR mutant L54M shows an alternative route to DNA kinking. 
  • The structure of a CREB bZIP.somatostatin CRE complex reveals the basis for selective dimerization and divalent cation-enhanced DNA binding. 
  • The structure of helical lipoprotein lipase reveals an unexpected twist in lipase storage. 
  • The tau N279K exon 10 splicing mutation recapitulates frontotemporal dementia and parkinsonism linked to chromosome 17 tauopathy in a mouse model. 
  • The three-dimensional structure of H-2Db at 2.4 A resolution: implications for antigen-determinant selection. 
  • The transcriptional integrator CREB-binding protein mediates positive cross talk between nuclear hormone receptors and the hematopoietic bZip protein p45/NF-E2. 
  • The voltage-dependent anion channel is a receptor for plasminogen kringle 5 on human endothelial cells. 
  • Thematic review series: lipid posttranslational modifications. Structural biology of protein farnesyltransferase and geranylgeranyltransferase type I. 
  • Theoretical and experimental determination on two substrates turned over by 4-oxalocrotonate tautomerase. 
  • Thermal responsive microgels as recyclable carriers to immobilize active proteins with enhanced nonaqueous biocatalytic performance. 
  • Thermopower of molecular junctions: an ab initio study. 
  • Thiopyranol[2,3,4-c,d]indoles as inhibitors of 5-lipoxygenase, 5-lipoxygenase-activating protein, and leukotriene C4 synthase. 
  • Three dimensional structure of erabutoxin b neurotoxic protein: inhibitor of acetylcholine receptor. 
  • Three-dimensional structure of calmodulin. 
  • Three-dimensional structures of C-phycocyanin and B-phycoerythrin at 5-A resolution. 
  • Three-dimensional structures of soluble CD4-bound states of trimeric simian immunodeficiency virus envelope glycoproteins determined by using cryo-electron tomography. 
  • Thrombogenesis: effect of molecular motions, surface order, and hydrophobicity of the polymer interface. 
  • Thrombospondins as key regulators of synaptogenesis in the central nervous system. 
  • Thyroid hormone action at the cellular, genomic and target gene levels. 
  • Too Small, Too Big, and Just Right – Optical Sensing of Molecular Conformations in Self-assembled Capsules 
  • Topology links RNA secondary structure with global conformation, dynamics, and adaptation. 
  • Topology of an amiloride-binding protein. 
  • Topology of cell adhesion molecules. 
  • Toward a Molecular Basis of Cellular Nucleoside Transport in Humans. 
  • Towards Raman optical activity calculations of large molecules. 
  • Transduction of receptor signals by beta-arrestins. 
  • Transient opening of fibronectin type III (FNIII) domains: the interaction of the third FNIII domain of FN with anastellin. 
  • Transient receptor potential family members PKD1L3 and PKD2L1 form a candidate sour taste receptor. 
  • Transthyretin sequesters amyloid beta protein and prevents amyloid formation. 
  • Trends for isolated amino acids and dipeptides: Conformation, divalent ion binding, and remarkable similarity of binding to calcium and lead. 
  • Trimeric HIV-1 glycoprotein gp140 immunogens and native HIV-1 envelope glycoproteins display the same closed and open quaternary molecular architectures. 
  • Trimeric autotransporters require trimerization of the passenger domain for stability and adhesive activity. 
  • Trithiols and their arsenic compounds for potential use in diagnostic and therapeutic radiopharmaceuticals. 
  • Tropomyosin. Does resolution lead to reconciliation? 
  • Tunable leuko-polymersomes that adhere specifically to inflammatory markers. 
  • Two DNA polymerases: HIV reverse transcriptase and the Klenow fragment of Escherichia coli DNA polymerase I. 
  • Two crystal polymorphs of a flavonoid from Melicope ellyrana. 
  • Two extended structures constructed from sandwich-type polyoxometalates functionalized by organic amines. 
  • Two-Component Ferritin Nanoparticles for Multimerization of Diverse Trimeric Antigens. 
  • Two-dimensional protein crystallization via metal-ion coordination by naturally occurring surface histidines. 
  • Type 2 Diabetes Variants Disrupt Function of SLC16A11 through Two Distinct Mechanisms. 
  • Tyrosine cross-linking reveals interfacial dynamics in adeno-associated viral capsids during infection. 
  • Tyrosine phosphorylation of the human glutathione S-transferase P1 by epidermal growth factor receptor. 
  • UbcH5 Interacts with Substrates to Participate in Lysine Selection with the E3 Ubiquitin Ligase CHIP. 
  • Ubiquitin recognition by FAAP20 expands the complex interface beyond the canonical UBZ domain. 
  • Ubiquitination of K-Ras enhances activation and facilitates binding to select downstream effectors. 
  • Ultrafast excited-state dynamics of nanoscale near-infrared emissive polymersomes. 
  • Ultralarge complexes of PF4 and heparin are central to the pathogenesis of heparin-induced thrombocytopenia. 
  • Ultrastructure and function of dimeric, soluble intercellular adhesion molecule-1 (ICAM-1). 
  • Understanding the elasticity of fibronectin fibrils: unfolding strengths of FN-III and GFP domains measured by single molecule force spectroscopy. 
  • Unexpected effects of FERM domain mutations on catalytic activity of Jak3: structural implication for Janus kinases. 
  • Unexpected multivalent display of proteins by temperature triggered self-assembly of elastin-like polypeptide block copolymers. 
  • Unique epitopes recognized by antibodies induced in Chikungunya virus-infected non-human primates: implications for the study of immunopathology and vaccine development. 
  • Unique functional and structural properties of the LRRK2 protein ATP-binding pocket. 
  • Unusual Rel-like architecture in the DNA-binding domain of the transcription factor NFATc. 
  • Unveiling Inherent Degeneracies in Determining Population-Weighted Ensembles of Interdomain Orientational Distributions Using NMR Residual Dipolar Couplings: Application to RNA Helix Junction Helix Motifs. 
  • Unveiling coherently driven hyperpolarization dynamics in signal amplification by reversible exchange. 
  • Use of knowledge-based restraints in phenix.refine to improve macromolecular refinement at low resolution. 
  • Using Cryo-EM to Map Small Ligands on Dynamic Metabolic Enzymes: Studies with Glutamate Dehydrogenase. 
  • Using N-Terminal Coordination of Cu(II) and Ni(II) to Isolate the Coordination Environment of Cu(I) and Cu(II) Bound to His13 and His14 in Amyloid-β(4-16). 
  • Using alpha-helical coiled-coils to design nanostructured metalloporphyrin arrays. 
  • V2-Directed Vaccine-like Antibodies from HIV-1 Infection Identify an Additional K169-Binding Light Chain Motif with Broad ADCC Activity. 
  • Vibrational spectral fingerprinting for chemical recognition of biominerals. 
  • Viral receptor-binding site antibodies with diverse germline origins. 
  • Visualization of arrestin recruitment by a G-protein-coupled receptor. 
  • Visualizing DNA replication in a catalytically active Bacillus DNA polymerase crystal. 
  • Visualizing RNA Conformational Changes via Pattern Recognition of RNA by Small Molecules. 
  • Visualizing and quantifying molecular goodness-of-fit: small-probe contact dots with explicit hydrogen atoms. 
  • Visualizing conformation transitions of the Lipid II flippase MurJ. 
  • Visualizing multistep elevator-like transitions of a nucleoside transporter. 
  • Visualizing reaction pathways in photoactive yellow protein from nanoseconds to seconds. 
  • Visualizing spatially correlated dynamics that directs RNA conformational transitions. 
  • Whole-Genome Identification, Phylogeny, and Evolution of the Cytochrome P450 Family 2 (CYP2) Subfamilies in Birds. 
  • Why are Hoogsteen base pairs energetically disfavored in A-RNA compared to B-DNA? 
  • Widespread transient Hoogsteen base pairs in canonical duplex DNA with variable energetics. 
  • X-ray analysis reveals conformational adaptation of the linker in functional calmodulin mutants. 
  • X-ray crystal structure of the yeast Kar3 motor domain complexed with Mg.ADP to 2.3 A resolution. 
  • X-ray crystallographic analysis of adipocyte fatty acid binding protein (aP2) modified with 4-hydroxy-2-nonenal. 
  • X-ray crystallographic studies of streptavidin mutants binding to biotin. 
  • X-ray diffraction evidence for myosin-troponin connections and tropomyosin movement during stretch activation of insect flight muscle. 
  • X-ray structure of cytidine-5'-O-dimethylphosphate. Novel stacking between the ribosyl O(2') hydroxyl oxygen atom and the base. 
  • YbiV from Escherichia coli K12 is a HAD phosphatase. 
  • ZDOCK and RDOCK performance in CAPRI rounds 3, 4, and 5. 
  • ZIP kinase, a key regulator of myosin protein phosphatase 1. 
  • Zinc finger binding motifs do not explain recombination rate variation within or between species of Drosophila. 
  • Zinc finger protein binding to DNA: an energy perspective using molecular dynamics simulation and free energy calculations on mutants of both zinc finger domains and their specific DNA bases. 
  • beta-arrestin-dependent, G protein-independent ERK1/2 activation by the beta2 adrenergic receptor. 
  • epitopes immediately below the base of the V3 loop of gp120 as targets for the initial autologous neutralizing antibody response in two HIV-1 subtype B-infected individuals. 
  • iRED analysis of TAR RNA reveals motional coupling, long-range correlations, and a dynamical hinge. 
  • m(1)A and m(1)G disrupt A-RNA structure through the intrinsic instability of Hoogsteen base pairs. 
  • m6A minimally impacts the structure, dynamics, and Rev ARM binding properties of HIV-1 RRE stem IIB. 
  • pH-dependent conformational change of gastric mucin leads to sol-gel transition. 
  • “A robust platform for the synthesis of new tetracycline antibiotics 
• 

  Keywords of People

  • Bennett, Vann, George Barth Geller Distinguished Professor of Molecular Biology, Duke Cancer Institute
  • Erickson, Harold Paul, James B. Duke Distinguished Professor Emeritus, Cell Biology
  • Ferrari, Guido, Professor in Surgery, Molecular Genetics and Microbiology
  • Ferreira, Paulo Alexandre, Associate Professor in Ophthalmology, Pathology
  • Gordan, Raluca Mihaela, Associate Professor in Biostatistics & Bioinformatics, Computer Science
  • Hartemink, Alexander J., Professor in the Department of Computer Science, Biology
  • Kelsoe, Garnett H., James B. Duke Distinguished Professor of Immunology, Integrative Immunobiology
  • Krangel, Michael S., George Barth Geller Distinguished Professor of Immunology, Integrative Immunobiology
  • Luftig, Micah Alan, Professor of Molecular Genetics and Microbiology, Cell Biology
  • McConnell, Eleanor Schildwachter, Associate Professor in the School of Nursing, School of Nursing
  • Muir, Kelly Walton, Associate Professor of Ophthalmology, Ophthalmology, Glaucoma
  • Oas, Terrence Gilbert, Professor of Biochemistry, Biochemistry
  • Patz Jr., Edward F., James and Alice Chen Distinguished Professor of Radiology, Pathology
  • Pitt, Geoffrey Stuart, Adjunct Professor in the Department of Medicine, Medicine, Cardiology
  • Sampson, John Howard, Robert H., M.D. and Gloria Wilkins Professor of Neurosurgery, in the School of Medicine, Biomedical Engineering
  • Soderling, Scott Haydn, George Barth Geller Distinguished Professor of Molecular Biology, Cell Biology
  • Sullivan, Daniel Carl, Professor Emeritus of Radiology, Radiology