Nuclear Magnetic Resonance, Biomolecular
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Subject Areas on Research
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(1)H MRS detection of glycine residue of reduced glutathione in vivo.
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(1)H, (15)N and (13)C backbone and side chain assignments of PSD-95 PDZ3 protein.
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(4,2)D Projection--reconstruction experiments for protein backbone assignment: application to human carbonic anhydrase II and calbindin D(28K).
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15N, 13C and 1H resonance assignments of FKBP12 proteins from the pathogenic fungi Mucor circinelloides and Aspergillus fumigatus.
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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.
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A 'just-in-time' HN(CA)CO experiment for the backbone assignment of large proteins with high sensitivity.
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A Convenient Synthesis of Cis and Trans 4-tert-Butoxycarbonyl-Substituted Cyclohexylglycine
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A Novel Protein Glycan-Derived Inflammation Biomarker Independently Predicts Cardiovascular Disease and Modifies the Association of HDL Subclasses with Mortality.
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A general method for constructing atomic-resolution RNA ensembles using NMR residual dipolar couplings: the basis for interhelical motions revealed.
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A graphical method for analyzing distance restraints using residual dipolar couplings for structure determination of symmetric protein homo-oligomers.
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A new monofluorinated phosphatidylcholine forms interdigitated bilayers.
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A novel approach for characterizing protein ligand complexes: molecular basis for specificity of small-molecule Bcl-2 inhibitors.
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A phosphoethanolamine-modified glycosyl diradylglycerol in the polar lipids of Clostridium tetani.
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A solubility-enhancement tag (SET) for NMR studies of poorly behaving proteins.
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Advances in the determination of nucleic acid conformational ensembles.
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Alignment of the HTLV-I Rex peptide bound to its target RNA aptamer from magnetic field-induced residual dipolar couplings and intermolecular hydrogen bonds.
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All-atom contacts: a new approach to structure validation.
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Allosteric nanobodies reveal the dynamic range and diverse mechanisms of G-protein-coupled receptor activation.
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Alternate states of proteins revealed by detailed energy landscape mapping.
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Application of ruthenium-induced macrocyclization for the construction of macrocyclic depsipeptides.
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Approximate reconstruction of continuous spatially complex domain motions by multialignment NMR residual dipolar couplings.
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Assignment of 1H, 13C and 15N backbone resonances of Escherichia coli LpxC bound to L-161,240.
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Assignment of the 1H, 13C and 15N resonances of the LpxC deacetylase from Aquifex aeolicus in complex with the substrate-analog inhibitor TU-514.
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Atomic structures of excited state A-T Hoogsteen base pairs in duplex DNA by combining NMR relaxation dispersion, mutagenesis, and chemical shift calculations.
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Backbone and sidechain 1H, 15N and 13C resonance assignments of the free and RNA-bound tandem zinc finger domain of the tristetraprolin family member from Selaginella moellendorffii.
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Beryllofluoride mimics phosphorylation of NtrC and other bacterial response regulators.
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Biochemistry. Exciting structures.
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Biosynthetically intriguing chlorinated lipophilic metabolites from geographically distant tropical marine cyanobacteria.
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Cardiovascular Metabolomics.
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Carolignans from the Aerial Parts of Euphorbia sikkimensis and Their Anti-HIV Activity.
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Carteriosulfonic acids A-C, GSK-3beta inhibitors from a Carteriospongia sp.
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Characteristics of the interaction of a synthetic human tristetraprolin tandem zinc finger peptide with AU-rich element-containing RNA substrates.
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Characterizing RNA dynamics at atomic resolution using solution-state NMR spectroscopy.
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Characterizing micro-to-millisecond chemical exchange in nucleic acids using off-resonance R1ρ relaxation dispersion.
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Chemical shift assignments and secondary structure prediction of the phosphorelay protein VanU from Vibrio anguillarum.
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Concerted motions in HIV-1 TAR RNA may allow access to bound state conformations: RNA dynamics from NMR residual dipolar couplings.
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Constituents from the root and stem of Aristolochia elegans.
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Constructing RNA dynamical ensembles by combining MD and motionally decoupled NMR RDCs: new insights into RNA dynamics and adaptive ligand recognition.
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Continuous Interdomain Orientation Distributions Reveal Components of Binding Thermodynamics.
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Contribution of a buried hydrogen bond to lambda repressor folding kinetics.
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Coordination chemistry of siderophores: thermodynamics and kinetics of iron chelation and release.
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DNA mismatches reveal conformational penalties in protein-DNA recognition.
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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.
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De novo design of a single-chain diphenylporphyrin metalloprotein.
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Decoupled LIGHT-SABRE variants allow hyperpolarization of asymmetric SABRE systems at an arbitrary field.
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Defining a two-pronged structural model for PB1 (Phox/Bem1p) domain interaction in plant auxin responses.
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Design of a calcium-binding protein with desired structure in a cell adhesion molecule.
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Detection and characterization of a glutathione conjugate of ochratoxin A.
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Development and application of aromatic [(13)C, (1)H] SOFAST-HMQC NMR experiment for nucleic acids.
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Development of magnetic resonance imaging contrast material for in vivo mapping of tissue transglutaminase activity.
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Developments in solution-state NMR yield broader and deeper views of the dynamic ensembles of nucleic acids.
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Direct NMR Evidence that Transient Tautomeric and Anionic States in dG·dT Form Watson-Crick-like Base Pairs.
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Dynamic docking and electron transfer between Zn-myoglobin and cytochrome b(5).
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Dynamic ensemble of HIV-1 RRE stem IIB reveals non-native conformations that disrupt the Rev-binding site.
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Dynamics of large elongated RNA by NMR carbon relaxation.
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Effect of a low-carbohydrate, ketogenic diet program compared to a low-fat diet on fasting lipoprotein subclasses.
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Electrostatic Energetics of Bacillus subtilis Ribonuclease P Protein Determined by Nuclear Magnetic Resonance-Based Histidine pKa Measurements.
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Engineering protein stability and specificity using fluorous amino acids: the importance of packing effects.
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Exposing Hidden High-Affinity RNA Conformational States.
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Extending the NMR spatial resolution limit for RNA by motional couplings.
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Fe(III) coordination properties of two new saccharide-based enterobactin analogues: methyl 2,3,4-tris-O-[N-[2,3-di(hydroxy)benzoyl-glycyl]-aminopropyl]-alpha-D-glucopyranoside and methyl 2,3,4-tris-O-[N-[2,3-di-(hydroxy)-benzoyl]-aminopropyl]-alpha-D-glucopyranoside.
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Fe3+ coordination and redox properties of a bacterial transferrin.
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Field- and phage-induced dipolar couplings in a homodimeric DNA quadruplex: relative orientation of G.(C-A) triad and G-tetrad motifs and direct determination of C2 symmetry axis orientation.
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Flipping of the ribosomal A-site adenines provides a basis for tRNA selection.
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Folding mechanism of a multiple independently-folding domain protein: double B domain of protein A.
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Generalized reconstruction of n-D NMR spectra from multiple projections: application to the 5-D HACACONH spectrum of protein G B1 domain.
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Genetic selection for enhanced serine metabolism in cancer development.
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Global folds of proteins with low densities of NOEs using residual dipolar couplings: application to the 370-residue maltodextrin-binding protein.
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Guanine to inosine substitution leads to large increases in the population of a transient G·C Hoogsteen base pair.
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HASH: a program to accurately predict protein Hα shifts from neighboring backbone shifts.
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High resolution 4-D spectroscopy with sparse concentric shell sampling and FFT-CLEAN.
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High-density lipoprotein subclass measurements improve mortality risk prediction, discrimination and reclassification in a cardiac catheterization cohort.
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High-resolution protein structure determination starting with a global fold calculated from exact solutions to the RDC equations.
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High-resolution solution structure of the beryllofluoride-activated NtrC receiver domain.
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How can a single second sphere amino acid substitution cause reduction midpoint potential changes of hundreds of millivolts?
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In-cell NMR spectroscopy in Escherichia coli.
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Increasing hyperpolarized spin lifetimes through true singlet eigenstates.
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Insight into the CSA tensors of nucleobase carbons in RNA polynucleotides from solution measurements of residual CSA: towards new long-range orientational constraints.
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Insights into domain-domain motions in proteins and RNA from solution NMR.
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Interactions of human nucleotide excision repair protein XPA with DNA and RPA70 Delta C327: chemical shift mapping and 15N NMR relaxation studies.
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Isolation and insecticidal/anthelmintic activity of xanthonol, a novel bis-xanthone, from a non-sporulating fungal species.
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Isolation, structure determination, and anti-HIV evaluation of tigliane-type diterpenes and biflavonoid from Stellera chamaejasme.
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Isolation, structure, absolute stereochemistry, and HIV-1 integrase inhibitory activity of integrasone, a novel fungal polyketide.
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Kinetic role of helix caps in protein folding is context-dependent.
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Linked folding and anion binding of the Bacillus subtilis ribonuclease P protein.
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Long range dynamic effects of point-mutations trap a response regulator in an active conformation.
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Measuring long-lived 13C2 state lifetimes at natural abundance.
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Metabolic profiling of patients with schizophrenia.
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Metabolomic profiling for the identification of novel biomarkers and mechanisms related to common cardiovascular diseases: form and function.
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Methionine oxidation of monomeric lambda repressor: the denatured state ensemble under nondenaturing conditions.
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Modulating RNA Alignment Using Directional Dynamic Kinks: Application in Determining an Atomic-Resolution Ensemble for a Hairpin using NMR Residual Dipolar Couplings.
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Modulating protein structure with fluorous amino acids: increased stability and native-like structure conferred on a 4-helix bundle protein by hexafluoroleucine.
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Monomeric yeast frataxin is an iron-binding protein.
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Multidimensional NMR spectroscopy for protein characterization and assignment inside cells.
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Multifaceted recognition of vertebrate Rev1 by translesion polymerases ζ and κ.
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NMR Chemical Exchange Measurements Reveal That N6-Methyladenosine Slows RNA Annealing.
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NMR assignment of the SRI domain of human Set2/HYPB.
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NMR solution structure and DNA-binding model of the DNA-binding domain of competence protein A.
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NMR structure note: solution structure of the core domain of MESD that is essential for proper folding of LRP5/6.
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NMR structure of activated CheY.
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NMR studies of nucleic acid dynamics.
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NMR-based Structural Analysis of Threonylcarbamoyl-AMP Synthase and Its Substrate Interactions.
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Optimization of the lariat ether carboxylic acid host structure for ferrioxamine B: demonstration of a second coordination shell chelate effect.
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Origin of overstretching transitions in single-stranded nucleic acids.
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Overcoming the solubility limit with solubility-enhancement tags: successful applications in biomolecular NMR studies.
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PACES: Protein sequential assignment by computer-assisted exhaustive search.
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PR-CALC: a program for the reconstruction of NMR spectra from projections.
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Packing and viscoelasticity of polyunsaturated omega-3 and omega-6 lipid bilayers as seen by (2)H NMR and X-ray diffraction.
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Peptide binding proclivities of calcium loaded calbindin-D28k.
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Peptides from second extracellular loop of C-C chemokine receptor type 5 (CCR5) inhibit diverse strains of HIV-1.
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Pervasive conformational fluctuations on microsecond time scales in a fibronectin type III domain.
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Phase coherent excitation of SABRE permits simultaneous hyperpolarization of multiple targets at high magnetic field.
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Polar Fourier transforms of radially sampled NMR data.
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Predominantly buried residues in the response regulator Spo0F influence specific sensor kinase recognition.
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Preparation, resonance assignment, and preliminary dynamics characterization of residue specific 13C/15N-labeled elongated DNA for the study of sequence-directed dynamics by NMR.
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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.
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Probing conformational transitions towards mutagenic Watson-Crick-like G·T mismatches using off-resonance sugar carbon R1ρ relaxation dispersion.
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Probing motions between equivalent RNA domains using magnetic field induced residual dipolar couplings: accounting for correlations between motions and alignment.
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Probing sequence-specific DNA flexibility in a-tracts and pyrimidine-purine steps by nuclear magnetic resonance (13)C relaxation and molecular dynamics simulations.
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Probing the folding intermediate of Bacillus subtilis RNase P protein by nuclear magnetic resonance.
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Probing transient Hoogsteen hydrogen bonds in canonical duplex DNA using NMR relaxation dispersion and single-atom substitution.
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Protein alignment by a coexpressed lanthanide-binding tag for the measurement of residual dipolar couplings.
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Protein loop closure using orientational restraints from NMR data.
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Protein side-chain resonance assignment and NOE assignment using RDC-defined backbones without TOCSY data.
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Rapid and accurate determination of atomistic RNA dynamic ensemble models using NMR and structure prediction.
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Rapid assignment of protein side chain resonances using projection-reconstruction of (4,3)D HC(CCO)NH and intra-HC(C)NH experiments.
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Rapid protein global fold determination using ultrasparse sampling, high-dynamic range artifact suppression, and time-shared NOESY.
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Recognition of lysine-rich peptide ligands by murine cortactin SH3 domain: CD, ITC, and NMR studies.
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Recommendations of the wwPDB NMR Validation Task Force.
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Refined solution structure of the LpxC-TU-514 complex and pKa analysis of an active site histidine: insights into the mechanism and inhibitor design.
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Residual dipolar couplings: synergy between NMR and structural genomics.
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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.
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Resolving the motional modes that code for RNA adaptation.
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Robust IR-based detection of stable and fractionally populated G-C+ and A-T Hoogsteen base pairs in duplex DNA.
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Solution NMR structure of the N-terminal domain of the human DEK protein.
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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.
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Solution NMR studies of the plant peptide hormone CEP inform function.
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Solution structure and function of YndB, an AHSA1 protein from Bacillus subtilis.
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Solution structure of a peptide nucleic acid duplex from NMR data: features and limitations.
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Solution structure of a sweet protein single-chain monellin determined by nuclear magnetic resonance and dynamical simulated annealing calculations.
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Solution structure of the NaV1.2 C-terminal EF-hand domain.
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Solution structure of the Set2-Rpb1 interacting domain of human Set2 and its interaction with the hyperphosphorylated C-terminal domain of Rpb1.
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Solution structure of the core NFATC1/DNA complex.
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Sparsely-sampled, high-resolution 4-D omit spectra for detection and assignment of intermolecular NOEs of protein complexes.
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Specific interaction of the transcription elongation regulator TCERG1 with RNA polymerase II requires simultaneous phosphorylation at Ser2, Ser5, and Ser7 within the carboxyl-terminal domain repeat.
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Stereochemical recognition of doubly functional aminotransferase in 2-deoxystreptamine biosynthesis.
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Structural plasticity and Mg2+ binding properties of RNase P P4 from combined analysis of NMR residual dipolar couplings and motionally decoupled spin relaxation.
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Structural studies of phosphorylation-dependent interactions between the V2R receptor and arrestin-2.
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Structure and Asn-Pro-Phe binding pocket of the Eps15 homology domain.
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Structure of a tethered cationic 3-aminopropyl chain incorporated into an oligodeoxynucleotide: evidence for 3'-orientation in the major groove accompanied by DNA bending.
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Structure of the LpxC deacetylase with a bound substrate-analog inhibitor.
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Structure of the deacetylase LpxC bound to the antibiotic CHIR-090: Time-dependent inhibition and specificity in ligand binding.
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Structures of the CCR5 N terminus and of a tyrosine-sulfated antibody with HIV-1 gp120 and CD4.
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Synthesis and Cytotoxicity of Acetyl-4H,9H-naphtho[2,3-b]thiophene-4,9-diones
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Synthesis and characterization of carbohydrate-based phospholipids.
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Systematic assignment of the configuration of flexible natural products by spectroscopic and computational methods: the bistramide C analysis.
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Targeting the lactate transporter MCT1 in endothelial cells inhibits lactate-induced HIF-1 activation and tumor angiogenesis.
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The C-terminal domain of viral IAP associated factor (cVIAF) is a structural homologue of phosducin: resonance assignments and secondary structure of the C-terminal domain of VIAF.
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The E3 ubiquitin ligase CHIP and the molecular chaperone Hsc70 form a dynamic, tethered complex.
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The NMR solution structure of BeF(3)(-)-activated Spo0F reveals the conformational switch in a phosphorelay system.
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The effects of Ca(2+) binding on the conformation of calbindin D(28K): a nuclear magnetic resonance and microelectrospray mass spectrometry study.
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The effects of exercise on the lipoprotein subclass profile: A meta-analysis of 10 interventions.
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Topology links RNA secondary structure with global conformation, dynamics, and adaptation.
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Towards structural genomics of RNA: rapid NMR resonance assignment and simultaneous RNA tertiary structure determination using residual dipolar couplings.
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Toxic actions of dinoseb in medaka (Oryzias latipes) embryos as determined by in vivo 31P NMR, HPLC-UV and 1H NMR metabolomics.
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Ultrafast intermolecular zero quantum spectroscopy.
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Ultrahigh resolution characterization of domain motions and correlations by multialignment and multireference residual dipolar coupling NMR.
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Unraveling the structural complexity in a single-stranded RNA tail: implications for efficient ligand binding in the prequeuosine riboswitch.
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Utility of 1H NMR chemical shifts in determining RNA structure and dynamics.
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Visualizing spatially correlated dynamics that directs RNA conformational transitions.
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Visualizing transient low-populated structures of RNA.
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iRED analysis of TAR RNA reveals motional coupling, long-range correlations, and a dynamical hinge.
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m6A minimally impacts the structure, dynamics, and Rev ARM binding properties of HIV-1 RRE stem IIB.
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¹H, ¹³C and ¹⁵N backbone and side-chain resonance assignments of Drosophila melanogaster Ssu72.
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¹H, ¹³C, and ¹⁵N resonance assignments and secondary structure prediction of the full-length transition state regulator AbrB from Bacillus anthracis.
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Keywords of People
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Erickson, Harold Paul,
James B. Duke Distinguished Professor Emeritus,
Cell Biology
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Guan, Ziqiang,
Research Professor in Biochemistry,
Biochemistry
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Oas, Terrence Gilbert,
Professor of Biochemistry,
Biochemistry
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Pitt, Geoffrey Stuart,
Adjunct Professor in the Department of Medicine,
Medicine, Cardiology
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Yancy Jr., William Samuel,
Professor of Medicine,
Medicine, General Internal Medicine