FAIRsharing.2chxxc; Last edited: Jan. 8, 2019, 1:35 p.m.; Last accessed: Jan 03 2022 7:11 p.m.

Other names: NMR-STAR

NMR-STAR is an extension of the STAR file format to store the results of biological NMR experiments.

Webpage:

http://www.bmrb.wisc.edu/dictionary/

Publications:

Publications
More detailed information about this field from each metasource.

BioMagResBank
PMID: 17984079
metasource: Fairsharing.org
version: FAIRsharing.org: NMR-STAR; NMR Self-defining Text Archive and Retrieval format; DOI: https://doi.org/10.25504/FAIRsharing.2chxxc; Last edited: Jan. 8, 2019, 1:35 p.m.; Last accessed: Jan 03 2022 7:11 p.m.

BioMagResBank PubMed citations: 736.

736 articles citing: BioMagResBank

Root exudate composition reflects drought severity gradient in blue grama (Bouteloua gracilis). PMID:35869127
Novelty detection for metabolic dynamics established on breast cancer tissue using 2D NMR TOCSY spectra. PMID:35782733
Lysozyme is Sterically Trapped Within the Silica Cage in Bioinspired Silica-Lysozyme Composites: A Multi-Technique Understanding of Elusive Protein-Material Interactions. PMID:35738569
PeakForest: a multi-platform digital infrastructure for interoperable metabolite spectral data and metadata management. PMID:35699774
Enhanced Nuclear Magnetic Resonance Spectroscopy with Isotropic Mixing as a Pseudodimension. PMID:35695926
Conformational dynamics in the disordered region of human CPEB3 linked to memory consolidation. PMID:35658951
Circulating Metabolites as Biomarkers of Disease in Patients with Mesial Temporal Lobe Epilepsy. PMID:35629950
Belgian endive-derived biostimulants promote shoot and root growth in vitro. PMID:35614331
Zn-regulated GTPase metalloprotein activator 1 modulates vertebrate zinc homeostasis. PMID:35584702
Studying Metabolism by NMR-Based Metabolomics. PMID:35573745
Chronic exposure to high-density polyethylene microplastic through feeding alters the nutrient metabolism of juvenile yellow perch (Perca flavescens). PMID:35573095
NMR Assignment through Linear Programming. PMID:35528138
Differences in Exudates Between Strains of Chlorella sorokiniana Affect the Interaction with the Microalga Growth-Promoting Bacteria Azospirillum brasilense : Differences in Exudates Between Strains of Chlorella sorokiniana Affect the Interaction with the Microalga Growth-Promoting Bacteria Azospirillum brasilense. PMID:35524818
Transient RNA Interactions Leave a Covalent Imprint on a Viral Capsid Protein. PMID:35512333
Nuclear Magnetic Resonance Metabolomics of Symbioses between Bacterial Vaginosis-Associated Bacteria. PMID:35491843
The exposome paradigm to predict environmental health in terms of systemic homeostasis and resource balance based on NMR data science. PMID:35480260
Compositional Analysis of Four Kinds of Citrus Fruits with an NMR-Based Method for Understanding Nutritional Value and Rational Utilization: From Pericarp to Juice. PMID:35458777
Solution structure ensemble of human obesity-associated protein FTO reveals druggable surface pockets at the interface between the N- and C-terminal domain. PMID:35398093
Integration of Experimental Data and Use of Automated Fitting Methods in Developing Protein Force Fields. PMID:35382231
NMR Spectroscopy Identifies Chemicals in Cigarette Smoke Condensate That Impair Skeletal Muscle Mitochondrial Function. PMID:35324765
Multi-Omics Strategies for Investigating the Microbiome in Toxicology Research. PMID:35285497
HOIL-1 ubiquitin ligase activity targets unbranched glucosaccharides and is required to prevent polyglucosan accumulation. PMID:35274759
Structure determination of high-energy states in a dynamic protein ensemble. PMID:35236984
Resurfaced ZIKV EDIII nanoparticle immunogens elicit neutralizing and protective responses in vivo. PMID:35231399
Medications Activating Tubular Fatty Acid Oxidation Enhance the Protective Effects of Roux-en-Y Gastric Bypass Surgery in a Rat Model of Early Diabetic Kidney Disease. PMID:35222262
Urinary Metabolomic Changes Accompanying Albuminuria Remission following Gastric Bypass Surgery for Type 2 Diabetic Kidney Disease. PMID:35186675
Site-Specific Profiling of 4-Thiouridine Across Transfer RNA Genes in Escherichia coli. PMID:35155896
Not just a background: pH buffers do interact with lanthanide ions-a Europium(III) case study. PMID:35150337
Solution structure and dynamics of the mitochondrial-targeted GTPase-activating protein (GAP) VopE by an integrated NMR/SAXS approach. PMID:35137487
Inherent conformational plasticity in dsRBDs enables interaction with topologically distinct RNAs. PMID:35134335
pH dependence of C•A, G•A and A•A mismatches in the stem of precursor microRNA-31. PMID:35114594
Merging NMR Data and Computation Facilitates Data-Centered Research. PMID:35111815
Preclinical Evaluation of Dimethyl Itaconate Against Hepatocellular Carcinoma via Activation of the e/iNOS-Mediated NF-κB-Dependent Apoptotic Pathway. PMID:35095533
1H NMR-Based Chemometrics to Gain Insights Into the Bran of Radiation-Induced Colored Wheat Mutant. PMID:35059428
A Metabonomic View on Wilms Tumor by High-Resolution Magic-Angle Spinning Nuclear Magnetic Resonance Spectroscopy. PMID:35054324
Simplified quality assessment for small-molecule ligands in the Protein Data Bank. PMID:35026162
Mechanism of Atg9 recruitment by Atg11 in the cytoplasm-to-vacuole targeting pathway. PMID:35007534
HMDB 5.0: the Human Metabolome Database for 2022. PMID:34986597
Backbone distortions in lactam-bridged helical peptides. PMID:34984761
The ASCC2 CUE domain in the ALKBH3-ASCC DNA repair complex recognizes adjacent ubiquitins in K63-linked polyubiquitin. PMID:34971705
1H-Nuclear Magnetic Resonance Analysis of Urine as Diagnostic Tool for Organic Acidemias and Aminoacidopathies. PMID:34940649
Serum Metabolic Profiles Based on Nuclear Magnetic Resonance Spectroscopy among Patients with Deep Vein Thrombosis and Healthy Controls. PMID:34940632
Diel investments in metabolite production and consumption in a model microbial system. PMID:34921302
Worldwide Protein Data Bank (wwPDB): A virtual treasure for research in biotechnology. PMID:34908533
Fungicidal amphotericin B sponges are assemblies of staggered asymmetric homodimers encasing large void volumes. PMID:34887566
Understanding host-microbiota interactions in the commercial piglet around weaning. PMID:34873196
Submission of structural biology data for review purposes. PMID:34866604
Submission of structural biology data for review purposes. PMID:34866597
Generation and Characterization of the Drosophila melanogaster paralytic Gene Knock-Out as a Model for Dravet Syndrome. PMID:34833136
Bayesian probabilistic assignment of chemical shifts in organic solids. PMID:34826232
Evaluation of the stereochemical quality of predicted RNA 3D models in the RNA-Puzzles submissions. PMID:34819324
Identification of ligand binding sites in intrinsically disordered proteins with a differential binding score. PMID:34799573
NP-MRD: the Natural Products Magnetic Resonance Database. PMID:34791429
FuzDB: a new phase in understanding fuzzy interactions. PMID:34791357
Strategies for RNA Resonance Assignment by 13C/15N- and 1H-Detected Solid-State NMR Spectroscopy. PMID:34746232
Clustered sparsity and Poisson-gap sampling. PMID:34739685
An integrative NMR-SAXS approach for structural determination of large RNAs defines the substrate-free state of a trans-cleaving Neurospora Varkud Satellite ribozyme. PMID:34718697
Sortase-mediated segmental labeling: A method for segmental assignment of intrinsically disordered regions in proteins. PMID:34710113
Pharmacometabolomics by NMR in Oncology: A Systematic Review. PMID:34681239
Glutamine restores mitochondrial respiration in bleomycin-injured epithelial cells. PMID:34634441
Mutate-and-chemical-shift-fingerprint (MCSF) to characterize excited states in RNA using NMR spectroscopy. PMID:34608336
Automated metabolic assignment: Semi-supervised learning in metabolic analysis employing two dimensional Nuclear Magnetic Resonance (NMR). PMID:34589182
Spectroscopic and functional characterization of the [2Fe-2S] scaffold protein Nfu from Synechocystis PCC6803. PMID:34582998
Recent Developments Toward Integrated Metabolomics Technologies (UHPLC-MS-SPE-NMR and MicroED) for Higher-Throughput Confident Metabolite Identifications. PMID:34540897
NMR Metabolite Profiles of the Bivalve Mollusc Mytilus galloprovincialis Before and After Immune Stimulation With Vibrio splendidus. PMID:34540890
nightshift: A Python program for plotting simulated NMR spectra from assigned chemical shifts from the Biological Magnetic Resonance Data Bank. PMID:34516045
AC-motif: a DNA motif containing adenine and cytosine repeat plays a role in gene regulation. PMID:34469538
At sixes and sevens: cryptic domain in the metal binding chain of the human copper transporter ATP7A. PMID:34461106
Site-specific modification and segmental isotope labelling of HMGN1 reveals long-range conformational perturbations caused by posttranslational modifications. PMID:34458797
Detection of Lung Cancer via Blood Plasma and 1H-NMR Metabolomics: Validation by a Semi-Targeted and Quantitative Approach Using a Protein-Binding Competitor. PMID:34436478
High-density linkage map construction and identification of loci regulating fruit quality traits in blueberry. PMID:34333532
Brain-dead and coma patients exhibit different serum metabolic profiles: preliminary investigation of a novel diagnostic approach in neurocritical care. PMID:34330941
A Single Point Mutation Controls the Rate of Interconversion Between the g + and g - Rotamers of the Histidine 189 χ2 Angle That Activates Bacterial Enzyme I for Catalysis. PMID:34307459
PDBeCIF: an open-source mmCIF/CIF parsing and processing package. PMID:34301175
NMR Spectroscopy for Protein Higher Order Structure Similarity Assessment in Formulated Drug Products. PMID:34299526
Disease Differentiation and Monitoring of Anti-TNF Treatment in Rheumatoid Arthritis and Spondyloarthropathies. PMID:34299006
DNAJA1 Dysregulates Metabolism Promoting an Antiapoptotic Phenotype in Pancreatic Ductal Adenocarcinoma. PMID:34264680
Soft Tissue Sarcoma: An Insight on Biomarkers at Molecular, Metabolic and Cellular Level. PMID:34207243
Evaluation of Multi-Objective Optimization Algorithms for NMR Chemical Shift Assignment. PMID:34204416
PEGylation Increases the Strength of a Nearby NH-π Hydrogen Bond in the WW Domain. PMID:34137579
Accurate prediction of chemical shifts for aqueous protein structure on "Real World" data. PMID:34122823
Outline of an experimental design aimed to detect a protein A mirror image in solution. PMID:34079958
Advances in the Study of Metabolomics and Metabolites in Some Species Interactions. PMID:34072976
Evaluation of potential metabolomic-based biomarkers of protein, carbohydrate and fat intakes using a controlled feeding study. PMID:33991228
Open-access data: A cornerstone for artificial intelligence approaches to protein structure prediction. PMID:33984281
Modernized uniform representation of carbohydrate molecules in the Protein Data Bank. PMID:33978738
The remodel of the "central dogma": a metabolomics interaction perspective. PMID:33969452
From integrative structural biology to cell biology. PMID:33957123
The Protein Data Bank Archive. PMID:33950382
Quo Vadis Caenorhabditis elegans Metabolomics-A Review of Current Methods and Applications to Explore Metabolism in the Nematode. PMID:33947148
Prediction of secondary structure population and intrinsic disorder of proteins using multitask deep learning. PMID:33936509
BaMORC: A Software Package for Accurate and Robust 13C Reference Correction of Protein NMR Spectra. PMID:33936358
Kinetically Equivalent Functionality and Reactivity of Commonly Used Biocompatible Polyurethane Crosslinking Agents. PMID:33920018
Metabolomics and transcriptomics to decipher molecular mechanisms underlying ectomycorrhizal root colonization of an oak tree. PMID:33883599
Hyperphosphorylation of Human Osteopontin and Its Impact on Structural Dynamics and Molecular Recognition. PMID:33876640
Comparative analysis of 13C chemical shifts of β-sheet amyloid proteins and outer membrane proteins. PMID:33844106
NMR-based serum and urine metabolomic profile reveals suppression of mitochondrial pathways in experimental sepsis-associated acute kidney injury. PMID:33843271
Insights into intrauterine growth restriction based on maternal and umbilical cord blood metabolomics. PMID:33837233
The mwtab Python Library for RESTful Access and Enhanced Quality Control, Deposition, and Curation of the Metabolomics Workbench Data Repository. PMID:33808985
Effect of Different Drying Methods on the Nutritional Value of Hibiscus sabdariffa Calyces as Revealed by NMR Metabolomics. PMID:33802805
NMR-Based Metabolomics in Cancer Research. PMID:33791984
FRET-based dynamic structural biology: Challenges, perspectives and an appeal for open-science practices. PMID:33779550
NaV1.2 EFL domain allosterically enhances Ca2+ binding to sites I and II of WT and pathogenic calmodulin mutants bound to the channel CTD. PMID:33770503
Embedding Analytics within the Curation of Scientific Workflows. PMID:33767737
Impact of structural biologists and the Protein Data Bank on small-molecule drug discovery and development. PMID:33744282
Chemical shift prediction of RNA imino groups: application toward characterizing RNA excited states. PMID:33707433
Structural details of amyloid β oligomers in complex with human prion protein as revealed by solid-state MAS NMR spectroscopy. PMID:33667547
Magnetic resonance spectroscopy for the study of cns malignancies. PMID:33632416
Development of an optimized method for processing peripheral blood mononuclear cells for 1H-nuclear magnetic resonance-based metabolomic profiling. PMID:33630921
Megasphaera lornae sp. nov., Megasphaera hutchinsoni sp. nov., and Megasphaera vaginalis sp. nov.: novel bacteria isolated from the female genital tract. PMID:33616513
Metabolic footprint of aging and obesity in red blood cells. PMID:33609087
Unique Metabolomic Profile of Skeletal Muscle in Chronic Limb Threatening Ischemia. PMID:33540726
The Three Pillars of Natural Product Dereplication. Alkaloids from the Bulbs of Urceolina peruviana (C. Presl) J.F. Macbr. as a Preliminary Test Case. PMID:33530604
REDCRAFT: A computational platform using residual dipolar coupling NMR data for determining structures of perdeuterated proteins in solution. PMID:33524015
Prediction of complex phenotypes using the Drosophila melanogaster metabolome. PMID:33510469
A Nuclear Magnetic Resonance-Based Metabolomic Study to Identify Metabolite Differences between Iranian Isolates of Leishmania major and Leishmania tropica. PMID:33487791
Detecting aspartate isomerization and backbone cleavage after aspartate in intact proteins by NMR spectroscopy. PMID:33475951
Tissue-Specific 1H-NMR Metabolomic Profiling in Mice with Adenine-Induced Chronic Kidney Disease. PMID:33435175
HastaLaVista, a web-based user interface for NMR-based untargeted metabolic profiling analysis in biomedical sciences: towards a new publication standard. PMID:33430999
Recifin A, Initial Example of the Tyr-Lock Peptide Structural Family, Is a Selective Allosteric Inhibitor of Tyrosyl-DNA Phosphodiesterase I. PMID:33263997
Magnetization Lifetimes Prediction and Measurements Using Long-Lived Spin States in Endogenous Molecules. PMID:33255255
Mobilization of Iron Stored in Bacterioferritin Is Required for Metabolic Homeostasis in Pseudomonas aeruginosa. PMID:33255203
RCSB Protein Data Bank: Architectural Advances Towards Integrated Searching and Efficient Access to Macromolecular Structure Data from the PDB Archive. PMID:33186584
Insights in Osteosarcoma by Proton Nuclear Magnetic Resonance Serum Metabonomics. PMID:33178572
Secondary structure determination of conserved SARS-CoV-2 RNA elements by NMR spectroscopy. PMID:33167030
Quantum approximate Bayesian computation for NMR model inference. PMID:33163858
Quantitative NMR-Based Biomedical Metabolomics: Current Status and Applications. PMID:33158172
Cysteine oxidation and disulfide formation in the ribosomal exit tunnel. PMID:33149120
Nearest-neighbor NMR spectroscopy: categorizing spectral peaks by their adjacent nuclei. PMID:33144564
The utility of nuclear magnetic resonance spectroscopy in assisted reproduction. PMID:33142083
HT-SuMD: making molecular dynamics simulations suitable for fragment-based screening. A comparative study with NMR. PMID:33115279
Interhelical interactions within the STIM1 CC1 domain modulate CRAC channel activation. PMID:33106661
Pre-diagnostic biomarkers of type 2 diabetes identified in the UAE's obese national population using targeted metabolomics. PMID:33077739
NMR-Based Metabolomic Analysis and Microbial Composition of Soil Supporting Burkea africana Growth. PMID:33050369
Using quantum chemistry to estimate chemical shifts in biomolecules. PMID:33035752
SPOTONE: Hot Spots on Protein Complexes with Extremely Randomized Trees via Sequence-Only Features. PMID:33019775
IDPology of the living cell: intrinsic disorder in the subcellular compartments of the human cell. PMID:32997198
Inhibition of enteric methanogenesis in dairy cows induces changes in plasma metabolome highlighting metabolic shifts and potential markers of emission. PMID:32973203
Applications of Genome-Wide Screening and Systems Biology Approaches in Drug Repositioning. PMID:32967266
Chemical shifts-based similarity restraints improve accuracy of RNA structures determined via NMR. PMID:32917774
Dynamic structural order of a low-complexity domain facilitates assembly of intermediate filaments. PMID:32907935
Sparse isotope labeling for nuclear magnetic resonance (NMR) of glycoproteins using 13C-glucose. PMID:32902634
ODiNPred: comprehensive prediction of protein order and disorder. PMID:32901090
An 1H NMR- and MS-Based Study of Metabolites Profiling of Garden Snail Helix aspersa Mucus. PMID:32887291
The influence of proline isomerization on potency and stability of anti-HIV antibody 10E8. PMID:32868832
Stability of Begomoviral pathogenicity determinant βC1 is modulated by mutually antagonistic SUMOylation and SIM interactions. PMID:32867776
Microbial natural product databases: moving forward in the multi-omics era. PMID:32856641
Rational Design of Antigen Incorporation Into Subunit Vaccine Biomaterials Can Enhance Antigen-Specific Immune Responses. PMID:32849524
Extended Experimental Inferential Structure Determination Method in Determining the Structural Ensembles of Disordered Protein States. PMID:32775701
The Droserasin 1 PSI: A Membrane-Interacting Antimicrobial Peptide from the Carnivorous Plant Drosera capensis. PMID:32709016
Exploring Protein Intrinsic Disorder with MobiDB. PMID:32696355
The data universe of structural biology. PMID:32695409
Identifying unknown metabolites using NMR-based metabolic profiling techniques. PMID:32681152
In Vitro Reconstitution Reveals a Central Role for the N-Oxygenase PvfB in (Dihydro)pyrazine-N-oxide and Valdiazen Biosynthesis. PMID:32662921
Backbone and sidechain resonance assignments and secondary structure of Scc4 from Chlamydia trachomatis. PMID:32617786
MCR-ALS analysis of 1H NMR spectra by segments to study the zebrafish exposure to acrylamide. PMID:32617759
Hairpin RNA-induced conformational change of a eukaryotic-specific lysyl-tRNA synthetase extension and role of adjacent anticodon-binding domain. PMID:32611767
Metabolite Structure Assignment Using In Silico NMR Techniques. PMID:32608974
Loss of CLN3, the gene mutated in juvenile neuronal ceroid lipofuscinosis, leads to metabolic impairment and autophagy induction in retinal pigment epithelium. PMID:32592935
In Vitro Fermentation of Sheep and Cow Milk Using Infant Fecal Bacteria. PMID:32560419
1H Nuclear Magnetic Resonance of Pig Seminal Plasma Reveals Intra-Ejaculate Variation in Metabolites. PMID:32549232
Identification and Quantification of Oxidation Products in Full-Length Biotherapeutic Antibodies by NMR Spectroscopy. PMID:32530275
Site-specific resolution of anionic residues in proteins using solid-state NMR spectroscopy. PMID:32514875
Impact of the Hereditary P301L Mutation on the Correlated Conformational Dynamics of Human Tau Protein Revealed by the Paramagnetic Relaxation Enhancement NMR Experiments. PMID:32486218
A Translational In Vivo and In Vitro Metabolomic Study Reveals Altered Metabolic Pathways in Red Blood Cells of Type 2 Diabetes. PMID:32471219
Base-pair conformational switch modulates miR-34a targeting of Sirt1 mRNA. PMID:32461691
ShiftCrypt: a web server to understand and biophysically align proteins through their NMR chemical shift values. PMID:32459331
Urinary metabolites associate with the rate of kidney function decline in patients with autosomal dominant polycystic kidney disease. PMID:32442208
Can joint fluid metabolic profiling (or "metabonomics") reveal biomarkers for osteoarthritis and inflammatory joint disease?: A systematic review. PMID:32435463
Evaluation of Non-Uniform Sampling 2D 1H-13C HSQC Spectra for Semi-Quantitative Metabolomics. PMID:32429340
NMR resonance assignment and structure prediction of the C-terminal domain of the microtubule end-binding protein 3. PMID:32421702
Accelerating prediction of chemical shift of protein structures on GPUs: Using OpenACC. PMID:32401799
Structure of the SARS-Unique Domain C From the Bat Coronavirus HKU4. PMID:32395093
Specificity in the biosynthesis of the universal tRNA nucleoside N 6-threonylcarbamoyl adenosine (t6A)-TsaD is the gatekeeper. PMID:32385138
Evaluation of MDA-MB-468 Cell Culture Media Analysis in Predicting Triple-Negative Breast Cancer Patient Sera Metabolic Profiles. PMID:32349447
Signal Deconvolution and Noise Factor Analysis Based on a Combination of Time-Frequency Analysis and Probabilistic Sparse Matrix Factorization. PMID:32340198
Relayed nuclear Overhauser enhancement sensitivity to membrane Cho phospholipids. PMID:32243662
Determination of Glyphosate in Dried Wheat by 1H-NMR Spectroscopy. PMID:32231040
Salient Features of Monomeric Alpha-Synuclein Revealed by NMR Spectroscopy. PMID:32164323
An Integrated Multi-Disciplinary Perspectivefor Addressing Challenges of the Human Gut Microbiome. PMID:32155792
Classification of Flavonoid Metabolomes via Data Mining and Quantification of Hydroxyl NMR Signals. PMID:32108467
Anatomy of a selectively coassembled β-sheet peptide nanofiber. PMID:32071201
Impact of the Protein Data Bank on antineoplastic approvals. PMID:32068073
BioMagResBank (BMRB) as a Resource for Structural Biology. PMID:32006287
Evolving data standards for cryo-EM structures. PMID:32002441
Metabolomics in the Context of Plant Natural Products Research: From Sample Preparation to Metabolite Analysis. PMID:31952212
Targeting redox metabolism: the perfect storm induced by acrylamide poisoning in the brain. PMID:31941973
A Metabolomic Study to Identify Potential Tissue Biomarkers for Indomethacin-Induced Gastric Ulcer in Rats. PMID:31908738
Identifying Ortholog Selective Fragment Molecules for Bacterial Glutaredoxins by NMR and Affinity Enhancement by Modification with an Acrylamide Warhead. PMID:31905878
Proton NMR Enables the Absolute Quantification of Aqueous Metabolites and Lipid Classes in Unique Mouse Liver Samples. PMID:31877749
An intrinsically disordered proteins community for ELIXIR. PMID:31824649
Solution structure of human myeloid-derived growth factor suggests a conserved function in the endoplasmic reticulum. PMID:31819058
The Beneficial Effects of Stingless Bee Honey from Heterotrigona itama against Metabolic Changes in Rats Fed with High-Carbohydrate and High-Fat Diet. PMID:31817937
Changes in the Composition of Atlantic Salmon upon the Brown Seaweed (Saccharina latissima) Treatment. PMID:31795426
Federating Structural Models and Data: Outcomes from A Workshop on Archiving Integrative Structures. PMID:31780431
Increased Dynamics of α-Synuclein Fibrils by β-Synuclein Leads to Reduced Seeding and Cytotoxicity. PMID:31772376
Accurate and Efficient Determination of Unknown Metabolites in Metabolomics by NMR-Based Molecular Motif Identification. PMID:31718151
A cross-talk between leptin and 17β-estradiol in vitellogenin synthesis in rainbow trout Oncorhynchus mykiss liver. PMID:31713703
From waste to food: Optimising the breakdown of oil palm waste to provide substrate for insects farmed as animal feed. PMID:31697740
Searching for Small Molecules with an Atomic Sort. PMID:31696595
PDBe: improved findability of macromolecular structure data in the PDB. PMID:31691821
Influence of Drying Method on NMR-Based Metabolic Profiling of Human Cell Lines. PMID:31683565
Automatic structure-based NMR methyl resonance assignment in large proteins. PMID:31664028
Classification of RNA backbone conformations into rotamers using 13C' chemical shifts: exploring how far we can go. PMID:31656702
NMR-based metabolic profiling and comparison of Japanese persimmon cultivars. PMID:31628382
Metabolic Fingerprint of Acromegaly and its Potential Usefulness in Clinical Practice. PMID:31561638
Smad7 Binds Differently to Individual and Tandem WW3 and WW4 Domains of WWP2 Ubiquitin Ligase Isoforms. PMID:31546607
RCSB Protein Data Bank: Enabling biomedical research and drug discovery. PMID:31531901
Insights into telomeric G-quadruplex DNA recognition by HMGB1 protein. PMID:31504744
Tools for Enhanced NMR-Based Metabolomics Analysis. PMID:31463858
InterSpin: Integrated Supportive Webtools for Low- and High-Field NMR Analyses Toward Molecular Complexity. PMID:31459550
Effect of Differences in the Primary Structure of the A-Chain on the Aggregation of Insulin Fragments. PMID:31459094
Molecular Mechanism for the Hofmeister Effect Derived from NMR and DSC Measurements on Barnase. PMID:31457155
More than Proton Detection-New Avenues for NMR Spectroscopy of RNA. PMID:31454110
Therapeutic effects of hydro-alcoholic extract of Achillea wilhelmsii C. Koch on indomethacin-induced gastric ulcer in rats: a proteomic and metabolomic approach. PMID:31391093
If machines can learn, who needs scientists? PMID:31362904
Amino acid-linked platinum(II) compounds: non-canonical nucleoside preferences and influence on glycosidic bond stabilities. PMID:31359185
NMR-assisted protein structure prediction with MELDxMD. PMID:31350773
Assigning NMR spectra of RNA, peptides and small organic molecules using molecular network visualization software. PMID:31325088
Correlations Between LC-MS/MS-Detected Glycomics and NMR-Detected Metabolomics in Caenorhabditis elegans Development. PMID:31316996
Characterizing the inhibition of α-synuclein oligomerization by a pharmacological chaperone that prevents prion formation by the protein PrP. PMID:31306510
Archiving and disseminating integrative structure models. PMID:31278630
Guava (Psidium guajava) Fruit Extract Prepared by Supercritical CO2 Extraction Inhibits Intestinal Glucose Resorption in a Double-Blind, Randomized Clinical Study. PMID:31277259
NMR Spectroscopy for Metabolomics Research. PMID:31252628
Oxygen Regulates Human Pluripotent Stem Cell Metabolic Flux. PMID:31236115
Auto-encoding NMR chemical shifts from their native vector space to a residue-level biophysical index. PMID:31175284
I-PINE web server: an integrative probabilistic NMR assignment system for proteins. PMID:31165321
Metabolomics Studies To Decipher Stress Responses in Mycobacterium smegmatis Point to a Putative Pathway of Methylated Amine Biosynthesis. PMID:31138627
Novel 13 C-detected NMR Experiments for the Precise Detection of RNA Structure. PMID:31131949
Continuous in vivo Metabolism by NMR. PMID:31114791
Structural and functional analyses of the N-terminal domain of the A subunit of a Bacillus megaterium spore germinant receptor. PMID:31113879
Metabolic reprogramming involving glycolysis in the hibernating brown bear skeletal muscle. PMID:31080489
Curating Scientific Workflows for Biomolecular Nuclear Magnetic Resonance Spectroscopy. PMID:31061674
Extractive Ratio Analysis NMR Spectroscopy for Metabolite Identification in Complex Biological Mixtures. PMID:31059230
Function and solution structure of the Arabidopsis thaliana RALF8 peptide. PMID:31004454
RNA Dynamics by NMR Spectroscopy. PMID:30997719
Selective high-resolution DNP-enhanced NMR of biomolecular binding sites. PMID:30996925
Towards Understanding of Polymorphism of the G-rich Region of Human Papillomavirus Type 52. PMID:30987050
The three-dimensional structure of an H-superfamily conotoxin reveals a granulin fold arising from a common ICK cysteine framework. PMID:30975904
Conformational Dynamics of the HIV-Vif Protein Complex. PMID:30961890
Characterizing Watson-Crick versus Hoogsteen Base Pairing in a DNA-Protein Complex Using Nuclear Magnetic Resonance and Site-Specifically 13C- and 15N-Labeled DNA. PMID:30950607
Metabolic signatures suggest o-phosphocholine to UDP-N-acetylglucosamine ratio as a potential biomarker for high-glucose and/or palmitate exposure in pancreatic β-cells. PMID:30927092
Quality and bias of protein disorder predictors. PMID:30914747
Anticipating innovations in structural biology. PMID:30912485
A post-translational modification of human Norovirus capsid protein attenuates glycan binding. PMID:30899001
Challenges in Identifying the Dark Molecules of Life. PMID:30883183
Structure⁻Activity Prediction of ACE Inhibitory/Bitter Dipeptides-A Chemometric Approach Based on Stepwise Regression. PMID:30857128
Global response of diacylglycerol kinase towards substrate binding observed by 2D and 3D MAS NMR. PMID:30850624
Age-dependent changes in metabolite profile and lipid saturation in dystrophic mice. PMID:30848538
Using urine metabolomics to understand the pathogenesis of infant respiratory syncytial virus (RSV) infection and its role in childhood wheezing. PMID:30830453
RANCM: a new ranking scheme for assigning confidence levels to metabolite assignments in NMR-based metabolomics studies. PMID:30830432
Van Krevelen diagram visualization of high resolution-mass spectrometry metabolomics data with OpenVanKrevelen. PMID:30830359
Quality Control of Therapeutic Peptides by 1H NMR HiFSA Sequencing. PMID:30793905
Automated evaluation of consistency within the PubChem Compound database. PMID:30778259
Complete protein assignment from sets of spectra recorded overnight. PMID:30771052
Reflection of treatment proficiency of hydroxyurea treated β-thalassemia serum samples through nuclear magnetic resonance based metabonomics. PMID:30765825
Insulin resistance disrupts epithelial repair and niche-progenitor Fgf signaling during chronic liver injury. PMID:30695023
The copBL operon protects Staphylococcus aureus from copper toxicity: CopL is an extracellular membrane-associated copper-binding protein. PMID:30655293
Isotopic Labeling of Eukaryotic Membrane Proteins for NMR Studies of Interactions and Dynamics. PMID:30611431
CS-ROSETTA. PMID:30611429
Extending the Scope of 1H NMR Spectroscopy for the Analysis of Cellular Coenzyme A and Acetyl Coenzyme A. PMID:30608643
High-resolution magic angle spinning NMR studies for metabolic characterization of Arabidopsis thaliana mutants with enhanced growth characteristics. PMID:30596736
How Structural Biologists and the Protein Data Bank Contributed to Recent FDA New Drug Approvals. PMID:30595456
NMR-STAR: comprehensive ontology for representing, archiving and exchanging data from nuclear magnetic resonance spectroscopic experiments. PMID:30580387
Exploratory machine-learned theoretical chemical shifts can closely predict metabolic mixture signals. PMID:30542569
Outlier analyses of the Protein Data Bank archive using a probability-density-ranking approach. PMID:30532050
Serum-based metabolic alterations in patients with papillary thyroid carcinoma unveiled by non-targeted 1H-NMR metabolomics approach. PMID:30483387
Liquid and Hydrogel Phases of PrPC Linked to Conformation Shifts and Triggered by Alzheimer's Amyloid-β Oligomers. PMID:30401430
Mechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2. PMID:30375376
An automated framework for NMR chemical shift calculations of small organic molecules. PMID:30367288
Evaluation of sample preparation methods for NMR-based metabolomics of cow milk. PMID:30364606
Protein Data Bank: the single global archive for 3D macromolecular structure data. PMID:30357364
Analysis of impact metrics for the Protein Data Bank. PMID:30325351
Combining Mass Spectrometry and NMR Improves Metabolite Detection and Annotation. PMID:30303385
Structural characterization of the D290V mutation site in hnRNPA2 low-complexity-domain polymers. PMID:30279180
Nuclear Magnetic Resonance technique in tumor metabolism. PMID:30258906
Salivary metabolite profiling distinguishes patients with oral cavity squamous cell carcinoma from normal controls. PMID:30235319
Conformational exchange of aromatic side chains by 1H CPMG relaxation dispersion. PMID:30229369
900MHz 1H-/13C-NMR analysis of 2-hydroxyglutarate and other brain metabolites in human brain tumor tissue extracts. PMID:30192797
Ultra-Performance Liquid Chromatography-High-Resolution Mass Spectrometry and Direct Infusion-High-Resolution Mass Spectrometry for Combined Exploratory and Targeted Metabolic Profiling of Human Urine. PMID:30183320
Applications of Parametrized NMR Spin Systems of Small Molecules. PMID:30125102
Automatic 13C chemical shift reference correction for unassigned protein NMR spectra. PMID:30097912
AWSEM-IDP: A Coarse-Grained Force Field for Intrinsically Disordered Proteins. PMID:30091924
Updates to the RNA mapping database (RMDB), version 2. PMID:30053264
Rifampin- or Capreomycin-Induced Remodeling of the Mycobacterium smegmatis Mycolic Acid Layer Is Mitigated in Synergistic Combinations with Cationic Antimicrobial Peptides. PMID:30021876
NMR-based metabolic profiling of urine, serum, fecal, and pancreatic tissue samples from the Ptf1a-Cre; LSL-KrasG12D transgenic mouse model of pancreatic cancer. PMID:30016349
Metabolic fingerprint of insulin resistance in human polymorphonuclear leucocytes. PMID:30005063
The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research. PMID:30003207
Molecular dynamics-derived rotamer libraries for d-amino acids within homochiral and heterochiral polypeptides. PMID:29992252
Machine Learning Methods for X-Ray Scattering Data Analysis from Biomacromolecular Solutions. PMID:29874600
Validating Molecular Dynamics Simulations against Experimental Observables in Light of Underlying Conformational Ensembles. PMID:29864281
Lavandula angustifolia Effects on Rat Models of Alzheimer's Disease Through the Investigation of Serum Metabolic Features Using NMR Metabolomics. PMID:29849984
Multiple frequency saturation pulses reduce CEST acquisition time for quantifying conformational exchange in biomolecules. PMID:29796789
Application of Dirichlet process mixture model to the identification of spin systems in protein NMR spectra. PMID:29777498
Structural biology data archiving - where we are and what lies ahead. PMID:29749603
Simulations and Experiments Delineate Amyloid Fibrilization by Peptides Derived from Glaucoma-Associated Myocilin. PMID:29724098
Cardiovascular Metabolomics. PMID:29700070
Worldwide Protein Data Bank biocuration supporting open access to high-quality 3D structural biology data. PMID:29688351
Metabolic Biomarkers of Ageing in C57BL/6J Wild-Type and Flavin-Containing Monooxygenase 5 (FMO5)-Knockout Mice. PMID:29686991
Atomic structures of excited state A-T Hoogsteen base pairs in duplex DNA by combining NMR relaxation dispersion, mutagenesis, and chemical shift calculations. PMID:29675775
The role of the Human Metabolome Database in inborn errors of metabolism. PMID:29663269
Development of a Prototype System for Archiving Integrative/Hybrid Structure Models of Biological Macromolecules. PMID:29657133
NMReDATA, a standard to report the NMR assignment and parameters of organic compounds. PMID:29656574
Toxigenic effects of two benthic diatoms upon grazing activity of the sea urchin: morphological, metabolomic and de novo transcriptomic analysis. PMID:29618786
Rescue of conformational dynamics in enzyme catalysis by directed evolution. PMID:29615624
Observation of acetyl phosphate formation in mammalian mitochondria using real-time in-organelle NMR metabolomics. PMID:29610354
Chronic Hippocampal Expression of Notch Intracellular Domain Induces Vascular Thickening, Reduces Glucose Availability, and Exacerbates Spatial Memory Deficits in a Rat Model of Early Alzheimer. PMID:29582397
Interactions of iron-bound frataxin with ISCU and ferredoxin on the cysteine desulfurase complex leading to Fe-S cluster assembly. PMID:29576242
Non-Uniform and Absolute Minimal Sampling for High-Throughput Multidimensional NMR Applications. PMID:29566285
Quantifying Interactions of Nucleobase Atoms with Model Compounds for the Peptide Backbone and Glutamine and Asparagine Side Chains in Water. PMID:29533642
Worldwide Protein Data Bank validation information: usage and trends. PMID:29533231
Expanding the Coverage of the Metabolome with Nitrogen-Based NMR. PMID:29505241
Susceptibility and tolerance of rice crop to salt threat: Physiological and metabolic inspections. PMID:29489838
Conservation of Dynamics Associated with Biological Function in an Enzyme Superfamily. PMID:29478822
Metabolic Profile of Oral Squamous Carcinoma Cell Lines Relies on a Higher Demand of Lipid Metabolism in Metastatic Cells. PMID:29456966
Pi-Pi contacts are an overlooked protein feature relevant to phase separation. PMID:29424691
ISCU(M108I) and ISCU(D39V) Differ from Wild-Type ISCU in Their Failure To Form Cysteine Desulfurase Complexes Containing Both Frataxin and Ferredoxin. PMID:29406711
Workflows and Provenance: Toward Information Science Solutions for the Natural Sciences. PMID:29375158
Automated NMR resonance assignments and structure determination using a minimal set of 4D spectra. PMID:29374165
Jasmonate-Elicited Stress Induces Metabolic Change in the Leaves of Leucaena leucocephala. PMID:29364191
Structure Elucidation of Unknown Metabolites in Metabolomics by Combined NMR and MS/MS Prediction. PMID:29342073
Compatible topologies and parameters for NMR structure determination of carbohydrates by simulated annealing. PMID:29232406
Rapid and reliable protein structure determination via chemical shift threading. PMID:29196969
Metabomatching: Using genetic association to identify metabolites in proton NMR spectroscopy. PMID:29194434
Validation of Structures in the Protein Data Bank. PMID:29174494
NMR-Based Identification of Metabolites in Polar and Non-Polar Extracts of Avian Liver. PMID:29144418
HMDB 4.0: the human metabolome database for 2018. PMID:29140435
Monocarboxylate transporter 1 (MCT1), a tool to stratify acute myeloid leukemia (AML) patients and a vehicle to kill cancer cells. PMID:29137304
MobiDB 3.0: more annotations for intrinsic disorder, conformational diversity and interactions in proteins. PMID:29136219
PDBe: towards reusable data delivery infrastructure at protein data bank in Europe. PMID:29126160
Protein-nucleotide contacts in motor proteins detected by DNP-enhanced solid-state NMR. PMID:29119516
The PROSECCO server for chemical shift predictions in ordered and disordered proteins. PMID:29119515
Bidirectional band-selective magnetization transfer along the protein backbone doubles the information content of solid-state NMR correlation experiments. PMID:29116557
Error assessment in molecular dynamics trajectories using computed NMR chemical shifts. PMID:29109930
RCSB Protein Data Bank: Sustaining a living digital data resource that enables breakthroughs in scientific research and biomedical education. PMID:29067736
Spin System Modeling of Nuclear Magnetic Resonance Spectra for Applications in Metabolomics and Small Molecule Screening. PMID:29058410
Alpha-linolenic acid stabilizes HIF-1 α and downregulates FASN to promote mitochondrial apoptosis for mammary gland chemoprevention. PMID:29050261
Bacterial Substrate Transformation Tracked by Stable-Isotope-Guided NMR Metabolomics: Application in a Natural Aquatic Microbial Community. PMID:29048351
Differential Epitope Mapping by STD NMR Spectroscopy To Reveal the Nature of Protein-Ligand Contacts. PMID:28977722
MYC Controls Human Pluripotent Stem Cell Fate Decisions through Regulation of Metabolic Flux. PMID:28965765
Integrative structure modeling with the Integrative Modeling Platform. PMID:28960548
Direct detection of surface localized specialized metabolites from Glycyrrhiza lepidota (American licorice) by leaf spray mass spectrometry. PMID:28956161
A B-Z junction induced by an A … A mismatch in GAC repeats in the gene for cartilage oligomeric matrix protein promotes binding with the hZαADAR1 protein. PMID:28924040
Limiting Values of the one-bond C-H Spin-Spin Coupling Constants of the Imidazole Ring of Histidine at High-pH. PMID:28919647
Navigating freely-available software tools for metabolomics analysis. PMID:28890673
A comprehensive analysis of the computed tautomer fractions of the imidazole ring of histidines in Loligo vulgaris. PMID:28884632
Determining rotational dynamics of the guanidino group of arginine side chains in proteins by carbon-detected NMR. PMID:28840203
Improving Visualization and Interpretation of Metabolome-Wide Association Studies: An Application in a Population-Based Cohort Using Untargeted 1H NMR Metabolic Profiling. PMID:28823158
New tools and functions in data-out activities at Protein Data Bank Japan (PDBj). PMID:28815765
Detecting and accounting for multiple sources of positional variance in peak list registration analysis and spin system grouping. PMID:28815397
Assessment of gold nanoparticles on human peripheral blood cells by metabolic profiling with 1H-NMR spectroscopy, a novel translational approach on a patient-specific basis. PMID:28793337
NuBBEDB: an updated database to uncover chemical and biological information from Brazilian biodiversity. PMID:28775335
MAK33 antibody light chain amyloid fibrils are similar to oligomeric precursors. PMID:28746363
Evaluating amber force fields using computed NMR chemical shifts. PMID:28688107
Metabolite Measurement: Pitfalls to Avoid and Practices to Follow. PMID:28654323
In vivo NMR as a tool for probing molecular structure and dynamics in intact Chlamydomonas reinhardtii cells. PMID:28646418
Recent developments in solution nuclear magnetic resonance (NMR)-based molecular biology. PMID:28643003
Metabolomics Analysis of Effects of Commercial Soy-based Protein Products in Red Drum (Sciaenops ocellatus). PMID:28613908
Resolving sugar puckers in RNA excited states exposes slow modes of repuckering dynamics. PMID:28609788
Diagnostic Applications of Nuclear Magnetic Resonance-Based Urinary Metabolomics. PMID:28579794
Protein Data Bank (PDB): The Single Global Macromolecular Structure Archive. PMID:28573592
Maximal clique method for the automated analysis of NMR TOCSY spectra of complex mixtures. PMID:28573376
Overexpression of the human DEK oncogene reprograms cellular metabolism and promotes glycolysis. PMID:28558019
Bioactivity of the putative apelin proprotein expands the repertoire of apelin receptor ligands. PMID:28546009
Lactate supplementation in severe traumatic brain injured adults by primed constant infusion of sodium L-lactate. PMID:28543565
Solution structure of domain 1.1 of the σA factor from Bacillus subtilis is preformed for binding to the RNA polymerase core. PMID:28539362
Unique identifiers for small molecules enable rigorous labeling of their atoms. PMID:28534867
Nuclear Magnetic Resonance Structure and Binding Studies of PqqD, a Chaperone Required in the Biosynthesis of the Bacterial Dehydrogenase Cofactor Pyrroloquinoline Quinone. PMID:28481092
NMR-based metabolomics for simultaneously evaluating multiple determinants of primary beef quality in Japanese Black cattle. PMID:28465593
The IDP-Specific Force Field ff14IDPSFF Improves the Conformer Sampling of Intrinsically Disordered Proteins. PMID:28448138
1H-NMR, 1H-NMR T2-edited, and 2D-NMR in bipolar disorder metabolic profiling. PMID:28447334
Equilibrium Ensembles for Insulin Folding from Bias-Exchange Metadynamics. PMID:28445749
NMRbox: A Resource for Biomolecular NMR Computation. PMID:28445744
Improved Quantum Chemical NMR Chemical Shift Prediction of Metabolites in Aqueous Solution toward the Validation of Unknowns. PMID:28388058
Beyond Fourier. PMID:28385517
Whole Blood Metabolomics by 1H NMR Spectroscopy Provides a New Opportunity To Evaluate Coenzymes and Antioxidants. PMID:28318242
A fast and efficient python library for interfacing with the Biological Magnetic Resonance Data Bank. PMID:28302053
Stereospecific assignment of the asparagine and glutamine sidechain amide protons in proteins from chemical shift analysis. PMID:28197852
Divergent Relationships between Fecal Microbiota and Metabolome following Distinct Antibiotic-Induced Disruptions. PMID:28194448
Comprehensive Metabolite Identification Strategy Using Multiple Two-Dimensional NMR Spectra of a Complex Mixture Implemented in the COLMARm Web Server. PMID:28193069
OneDep: Unified wwPDB System for Deposition, Biocuration, and Validation of Macromolecular Structures in the PDB Archive. PMID:28190782
Protein Bioinformatics Databases and Resources. PMID:28150231
NMR-Based Metabolic Profiling of Field-Grown Leaves from Sugar Beet Plants Harbouring Different Levels of Resistance to Cercospora Leaf Spot Disease. PMID:28134762
Recent Advances in NMR-Based Metabolomics. PMID:28105846
Structural biology of supramolecular assemblies by magic-angle spinning NMR spectroscopy. PMID:28093096
Global open data management in metabolomics. PMID:28092796
13C Metabolomics: NMR and IROA for Unknown Identification. PMID:28090435
Implications of the differing roles of the β1 and β3 transmembrane and cytoplasmic domains for integrin function. PMID:27929375
Publication of nuclear magnetic resonance experimental data with semantic web technology and the application thereof to biomedical research of proteins. PMID:27927232
Identification and Structural Characterization of the N-terminal Amyloid Core of Orb2 isoform A. PMID:27922050
YMDB 2.0: a significantly expanded version of the yeast metabolome database. PMID:27899612
Basis of Protein Stabilization by K Glutamate: Unfavorable Interactions with Carbon, Oxygen Groups. PMID:27806267
The RCSB protein data bank: integrative view of protein, gene and 3D structural information. PMID:27794042
Protein Data Bank Japan (PDBj): updated user interfaces, resource description framework, analysis tools for large structures. PMID:27789697
Influence of Glycemic Control on Endogenous Circulating Ketone Concentrations in Adults Following Traumatic Brain Injury. PMID:27761730
Optimal Bicelle Size q for Solution NMR Studies of the Protein Transmembrane Partition. PMID:27747952
Modeling Small Noncanonical RNA Motifs with the Rosetta FARFAR Server. PMID:27665600
Metabolic Profiling of Intact Arabidopsis thaliana Leaves during Circadian Cycle Using 1H High Resolution Magic Angle Spinning NMR. PMID:27662620
Increasing rigor in NMR-based metabolomics through validated and open source tools. PMID:27643760
The future of NMR-based metabolomics. PMID:27580257
Knowns and unknowns in metabolomics identified by multidimensional NMR and hybrid MS/NMR methods. PMID:27552705
Mapping transiently formed and sparsely populated conformations on a complex energy landscape. PMID:27552057
Detection of methylation, acetylation and glycosylation of protein residues by monitoring (13)C chemical-shift changes: A quantum-chemical study. PMID:27547559
Cooperativity between verapamil and ATP bound to the efflux transporter P-glycoprotein. PMID:27531061
Study of Binding Interaction between Pif80 Protein Fragment and Aragonite. PMID:27484975
ff14IDPs force field improving the conformation sampling of intrinsically disordered proteins. PMID:27484738
Automated assignment of NMR chemical shifts based on a known structure and 4D spectra. PMID:27484442
Serum metabonomics of acute leukemia using nuclear magnetic resonance spectroscopy. PMID:27480133
m(1)A and m(1)G disrupt A-RNA structure through the intrinsic instability of Hoogsteen base pairs. PMID:27478929
The archiving and dissemination of biological structure data. PMID:27450113
An NMR-Guided Screening Method for Selective Fragment Docking and Synthesis of a Warhead Inhibitor. PMID:27438815
Finding Our Way in the Dark Proteome. PMID:27387657
Improvement of physical, chemical, and biological properties of aridisol from Botswana by the incorporation of torrefied biomass. PMID:27313139
The effect of chirality and steric hindrance on intrinsic backbone conformational propensities: tools for protein design. PMID:27284086
Sequence Context Influences the Structure and Aggregation Behavior of a PolyQ Tract. PMID:27276254
DCC: a Swiss army knife for structure factor analysis and validation. PMID:27275151
Network representation of protein interactions: Theory of graph description and analysis. PMID:27272236
Feasibility Study of NMR Based Serum Metabolomic Profiling to Animal Health Monitoring: A Case Study on Iron Storage Disease in Captive Sumatran Rhinoceros (Dicerorhinus sumatrensis). PMID:27232336
Metagenomics, Metatranscriptomics, and Metabolomics Approaches for Microbiome Analysis. PMID:27199545
Slide-and-exchange mechanism for rapid and selective transport through the nuclear pore complex. PMID:27091992
Mechanism of allosteric propagation across a β-sheet structure investigated by molecular dynamics simulations. PMID:27090060
A guide to the identification of metabolites in NMR-based metabonomics/metabolomics experiments. PMID:27087910
Simultaneous Analysis of Major Coenzymes of Cellular Redox Reactions and Energy Using ex Vivo (1)H NMR Spectroscopy. PMID:27043450
Dietary intake of heat-killed Lactococcus lactis H61 delays age-related hearing loss in C57BL/6J mice. PMID:27000949
NMRmix: A Tool for the Optimization of Compound Mixtures in 1D (1)H NMR Ligand Affinity Screens. PMID:26965640
Cancer Metabolomics and the Human Metabolome Database. PMID:26950159
The impact of structural genomics: the first quindecennial. PMID:26935210
Emerging new strategies for successful metabolite identification in metabolomics. PMID:26915807
There is Diversity in Disorder-"In all Chaos there is a Cosmos, in all Disorder a Secret Order". PMID:26904549
Amino acid recognition for automatic resonance assignment of intrinsically disordered proteins. PMID:26891900
Structural Basis for the Inhibition of Voltage-gated Sodium Channels by Conotoxin μO§-GVIIJ. PMID:26817840
Just a Flexible Linker? The Structural and Dynamic Properties of CBP-ID4 Revealed by NMR Spectroscopy. PMID:26789760
Backbone Assignment of the MALT1 Paracaspase by Solution NMR. PMID:26788853
Conformationally selective multidimensional chemical shift ranges in proteins from a PACSY database purged using intrinsic quality criteria. PMID:26787537
Heteronuclear Micro-Helmholtz Coil Facilitates µm-Range Spatial and Sub-Hz Spectral Resolution NMR of nL-Volume Samples on Customisable Microfluidic Chips. PMID:26730968
Probabilistic validation of protein NMR chemical shift assignments. PMID:26724815
Phase transitions and structure analysis in wild-type, A30P, E46K, and A53T mutants of α-synuclein. PMID:26695014
ProCS15: a DFT-based chemical shift predictor for backbone and Cβ atoms in proteins. PMID:26623185
ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB. PMID:26574453
Parmbsc1: a refined force field for DNA simulations. PMID:26569599
Proton detection for signal enhancement in solid-state NMR experiments on mobile species in membrane proteins. PMID:26494649
ECMDB 2.0: A richer resource for understanding the biochemistry of E. coli. PMID:26481353
Can NMR solve some significant challenges in metabolomics? PMID:26476597
Metabolomics Workbench: An international repository for metabolomics data and metadata, metabolite standards, protocols, tutorials and training, and analysis tools. PMID:26467476
Nuclear Magnetic Resonance-Assisted Prediction of Secondary Structure for RNA: Incorporation of Direction-Dependent Chemical Shift Constraints. PMID:26451676
Aromatic spectral editing techniques for magic-angle-spinning solid-state NMR spectroscopy of uniformly (13)C-labeled proteins. PMID:26440131
Toxic Markers of Matrine Determined Using (1) H-NMR-Based Metabolomics in Cultured Cells In Vitro and Rats In Vivo. PMID:26413125
An overview of methods using (13)C for improved compound identification in metabolomics and natural products. PMID:26379677
NMR structure and dynamics of the agonist dynorphin peptide bound to the human kappa opioid receptor. PMID:26372966
A serum metabolomic fingerprint of bevacizumab and temsirolimus combination as first-line treatment of metastatic renal cell carcinoma. PMID:26372698
The molecular mechanism of nuclear transport revealed by atomic-scale measurements. PMID:26371551
Application of NMR-based metabolomics for environmental assessment in the Great Lakes using zebra mussel (Dreissena polymorpha). PMID:26366138
Experimental Protein Structure Verification by Scoring with a Single, Unassigned NMR Spectrum. PMID:26365800
Structure of a CGI-58 motif provides the molecular basis of lipid droplet anchoring. PMID:26350461
Toward Automated Benchmarking of Atomistic Force Fields: Neat Liquid Densities and Static Dielectric Constants from the ThermoML Data Archive. PMID:26339862
A community resource of experimental data for NMR / X-ray crystal structure pairs. PMID:26293815
CONNJUR R: an annotation strategy for fostering reproducibility in bio-NMR-protein spectral assignment. PMID:26253947
Analytical strategies for studying stem cell metabolism. PMID:26213533
MolProbity for the masses-of data. PMID:26195077
Two elephants in the room: new hybrid nuclear magnetic resonance and mass spectrometry approaches for metabolomics. PMID:26154280
The Solution Structure and Dynamics of Full-length Human Cerebral Dopamine Neurotrophic Factor and Its Neuroprotective Role against α-Synuclein Oligomers. PMID:26149686
Prediction of hydrogen and carbon chemical shifts from RNA using database mining and support vector regression. PMID:26141454
1H nuclear magnetic resonance-based extracellular metabolomic analysis of multidrug resistant Tca8113 oral squamous carcinoma cells. PMID:26137105
Structure-Based Assignment of Ile, Leu, and Val Methyl Groups in the Active and Inactive Forms of the Mitogen-Activated Protein Kinase Extracellular Signal-Regulated Kinase 2. PMID:26132046
Protein structure determination by combining sparse NMR data with evolutionary couplings. PMID:26121406
PPM_One: a static protein structure based chemical shift predictor. PMID:26091586
Revisiting Protocols for the NMR Analysis of Bacterial Metabolomes. PMID:26078915
The second round of Critical Assessment of Automated Structure Determination of Proteins by NMR: CASD-NMR-2013. PMID:26071966
Hydroxyproline-induced Helical Disruption in Conantokin Rl-B Affects Subunit-selective Antagonistic Activities toward Ion Channels of N-Methyl-d-aspartate Receptors. PMID:26048991
NMR Exchange Format: a unified and open standard for representation of NMR restraint data. PMID:26036565
A Kazal-Type Serine Protease Inhibitor from the Defense Gland Secretion of the Subterranean Termite Coptotermes formosanus Shiraki. PMID:25978745
Sequential backbone assignment based on dipolar amide-to-amide correlation experiments. PMID:25975745
Staphylococcus aureus metabolic adaptations during the transition from a daptomycin susceptibility phenotype to a daptomycin nonsusceptibility phenotype. PMID:25963986
(13)C NMR Metabolomics: INADEQUATE Network Analysis. PMID:25932900
Test and Evaluation of ff99IDPs Force Field for Intrinsically Disordered Proteins. PMID:25919886
Magic angle spinning NMR of viruses. PMID:25919197
Structural features of a 3' splice site in influenza a. PMID:25909229
Modulation of the disordered conformational ensembles of the p53 transactivation domain by cancer-associated mutations. PMID:25897952
NMR/MS Translator for the Enhanced Simultaneous Analysis of Metabolomics Mixtures by NMR Spectroscopy and Mass Spectrometry: Application to Human Urine. PMID:25881480
Reliable resonance assignments of selected residues of proteins with known structure based on empirical NMR chemical shift prediction. PMID:25863893
Combined automated NOE assignment and structure calculation with CYANA. PMID:25801209
Analytical methods in untargeted metabolomics: state of the art in 2015. PMID:25798438
Open-access metabolomics databases for natural product research: present capabilities and future potential. PMID:25789275
A new paradigm for known metabolite identification in metabonomics/metabolomics: metabolite identification efficiency. PMID:25750701
Accumulation of d-glucose from pentoses by metabolically engineered Escherichia coli. PMID:25746993
Equivalent Isopropanol Concentrations of Aromatic Amino Acids Interactions with Lipid Vesicles. PMID:25691267
Metabolomics beyond spectroscopic databases: a combined MS/NMR strategy for the rapid identification of new metabolites in complex mixtures. PMID:25674812
Hydrogen exchange of disordered proteins in Escherichia coli. PMID:25611326
Intramolecular N-glycan/polypeptide interactions observed at multiple N-glycan remodeling steps through [(13)C,(15)N]-N-acetylglucosamine labeling of immunoglobulin G1. PMID:25551295
The H50Q mutation induces a 10-fold decrease in the solubility of α-synuclein. PMID:25505181
NMRFAM-SPARKY: enhanced software for biomolecular NMR spectroscopy. PMID:25505092
Protein structure annotation resources. PMID:25502191
Expanding the limits of human blood metabolite quantitation using NMR spectroscopy. PMID:25485990
Nonuniform sampling and non-Fourier signal processing methods in multidimensional NMR. PMID:25456315
The RCSB Protein Data Bank: views of structural biology for basic and applied research and education. PMID:25428375
Small molecule annotation for the Protein Data Bank. PMID:25425036
Improvements to REDCRAFT: a software tool for simultaneous characterization of protein backbone structure and dynamics from residual dipolar couplings. PMID:25403759
Comparative metabolomic and ionomic approach for abundant fishes in estuarine environments of Japan. PMID:25387575
T3DB: the toxic exposome database. PMID:25378312
Noninvasive analysis of metabolic changes following nutrient input into diverse fish species, as investigated by metabolic and microbial profiling approaches. PMID:25374774
Glycolysis and the pentose phosphate pathway after human traumatic brain injury: microdialysis studies using 1,2-(13)C2 glucose. PMID:25335801
Unified and isomer-specific NMR metabolomics database for the accurate analysis of (13)C-(1)H HSQC spectra. PMID:25333826
Protein NMR structures refined without NOE data. PMID:25279564
CSI 2.0: a significantly improved version of the Chemical Shift Index. PMID:25273503
pH-dependent random coil (1)H, (13)C, and (15)N chemical shifts of the ionizable amino acids: a guide for protein pK a measurements. PMID:25239571
Metabolism under hypoxia in Tm1 murine melanoma cells is affected by the presence of galectin-3, a metabolomics approach. PMID:25221735
¹³C NMR metabolomics: applications at natural abundance. PMID:25140385
VirtualSpectrum, a tool for simulating peak list for multi-dimensional NMR spectra. PMID:25119482
Characterizing RNA ensembles from NMR data with kinematic models. PMID:25114056
Calmodulin and PI(3,4,5)P₃ cooperatively bind to the Itk pleckstrin homology domain to promote efficient calcium signaling and IL-17A production. PMID:25097034
BioBenchmark Toyama 2012: an evaluation of the performance of triple stores on biological data. PMID:25089180
The Protein Data Bank archive as an open data resource. PMID:25062767
Invisible RNA state dynamically couples distant motifs. PMID:24979799
NMR-Based Milk Metabolomics. PMID:24957988
Impacts of the Callipyge mutation on ovine plasma metabolites and muscle fibre type. PMID:24937646
Alterations in energy/redox metabolism induced by mitochondrial and environmental toxins: a specific role for glucose-6-phosphate-dehydrogenase and the pentose phosphate pathway in paraquat toxicity. PMID:24937102
Essential parameters for structural analysis and dereplication by (1)H NMR spectroscopy. PMID:24895010
Kv1.3 channel-blocking immunomodulatory peptides from parasitic worms: implications for autoimmune diseases. PMID:24891519
Nucleotide-type chemical shift assignment of the encapsulated 40 kbp dsDNA in intact bacteriophage T7 by MAS solid-state NMR. PMID:24875850
A reduced dimensionality NMR pulse sequence and an efficient protocol for unambiguous assignment in intrinsically disordered proteins. PMID:24854885
Bayesian deconvolution and quantification of metabolites in complex 1D NMR spectra using BATMAN. PMID:24853927
Type I and II β-turns prediction using NMR chemical shifts. PMID:24838372
Quality Control of Danggui Buxue Tang, a Traditional Chinese Medicine Decoction, by (1)H-NMR Metabolic Profiling. PMID:24826194
Solid state NMR chemical shift assignment and conformational analysis of a cellulose binding protein facilitated by optimized glycerol enrichment. PMID:24824437
Automated robust and accurate assignment of protein resonances for solid state NMR. PMID:24817190
High-quality NMR structure of human anti-apoptotic protein domain Mcl-1(171-327) for cancer drug design. PMID:24789074
Customized metabolomics database for the analysis of NMR ¹H-¹H TOCSY and ¹³C-¹H HSQC-TOCSY spectra of complex mixtures. PMID:24773139
The DynaMine webserver: predicting protein dynamics from sequence. PMID:24728994
Metabonomic analysis of water extracts from different angelica roots by ¹H-nuclear magnetic resonance spectroscopy. PMID:24658570
MVAPACK: a complete data handling package for NMR metabolomics. PMID:24576144
The HicA toxin from Burkholderia pseudomallei has a role in persister cell formation. PMID:24502667
Simultaneous Phase and Scatter Correction for NMR Datasets. PMID:24489421
Dynafold: a dynamic programming approach to protein backbone structure determination from minimal sets of Residual Dipolar Couplings. PMID:24467760
Comparison of structure determination methods for intrinsically disordered amyloid-β peptides. PMID:24410358
Protein NMR structures refined with Rosetta have higher accuracy relative to corresponding X-ray crystal structures. PMID:24392845
Protein structure validation and refinement using amide proton chemical shifts derived from quantum mechanics. PMID:24391900
A relationship between Pseudomonal growth behaviour and cystic fibrosis patient lung function identified in a metabolomic investigation. PMID:24367285
A structural biology approach enables the development of antimicrobials targeting bacterial immunophilins. PMID:24366729
Parser Combinators: a Practical Application for Generating Parsers for NMR Data. PMID:24352525
Peptide lipidation stabilizes structure to enhance biological function. PMID:24327962
Detection and characterization of serine and threonine hydroxyl protons in Bacillus circulans xylanase by NMR spectroscopy. PMID:24306180
PDBe: Protein Data Bank in Europe. PMID:24288376
Nitrogen and carbon status are integrated at the transcriptional level by the nitrogen regulator NtrC in vivo. PMID:24255125
DrugBank 4.0: shedding new light on drug metabolism. PMID:24203711
High-dimensionality 13C direct-detected NMR experiments for the automatic assignment of intrinsically disordered proteins. PMID:24203099
Metabolomics as a diagnostic tool in gastroenterology. PMID:24199025
Multidimensional approaches to NMR-based metabolomics. PMID:24195689
Catabolite control protein E (CcpE) is a LysR-type transcriptional regulator of tricarboxylic acid cycle activity in Staphylococcus aureus. PMID:24194525
IDEAL in 2014 illustrates interaction networks composed of intrinsically disordered proteins and their binding partners. PMID:24178034
pE-DB: a database of structural ensembles of intrinsically disordered and of unfolded proteins. PMID:24174539
BCL::Fold--protein topology determination from limited NMR restraints. PMID:24123100
Molecular degradation of ancient documents revealed by 1H HR-MAS NMR spectroscopy. PMID:24104201
Advances in the REDCAT software package. PMID:24098943
Protein folding on the ribosome studied using NMR spectroscopy. PMID:24083462
Physics-based method to validate and repair flaws in protein structures. PMID:24082119
Reliability of exclusively NOESY-based automated resonance assignment and structure determination of proteins. PMID:24036635
Recommendations of the wwPDB NMR Validation Task Force. PMID:24010715
Proton fingerprints portray molecular structures: enhanced description of the 1H NMR spectra of small molecules. PMID:24007197
Molecular structure of RADA16-I designer self-assembling peptide nanofibers. PMID:23977885
Protein structure validation and identification from unassigned residual dipolar coupling data using 2D-PDPA. PMID:23973992
Resonance assignment for a particularly challenging protein based on systematic unlabeling of amino acids to complement incomplete NMR data sets. PMID:23943084
Automated and assisted RNA resonance assignment using NMR chemical shift statistics. PMID:23921634
Protein conformational exchange measured by 1H R1ρ relaxation dispersion of methyl groups. PMID:23904100
NMR solution structure of a Chymotrypsin inhibitor from the Taiwan cobra Naja naja atra. PMID:23896616
An overview of tools for the validation of protein NMR structures. PMID:23877928
Effects of NMR spectral resolution on protein structure calculation. PMID:23874675
Solid-state NMR evidence for β-hairpin structure within MAX8 designer peptide nanofibers. PMID:23823242
Site-specific NMR mapping and time-resolved monitoring of serine and threonine phosphorylation in reconstituted kinase reactions and mammalian cell extracts. PMID:23807285
High-resolution quantitative metabolome analysis of urine by automated flow injection NMR. PMID:23718684
Automated solid-state NMR resonance assignment of protein microcrystals and amyloids. PMID:23689812
Modeling proteins using a super-secondary structure library and NMR chemical shift information. PMID:23685209
The role of structural bioinformatics resources in the era of integrative structural biology. PMID:23633580
Insights into the photoprotective switch of the major light-harvesting complex II (LHCII): a preserved core of arginine-glutamate interlocked helices complemented by adjustable loops. PMID:23629658
Practical use of chemical shift databases for protein solid-state NMR: 2D chemical shift maps and amino-acid assignment with secondary-structure information. PMID:23625364
Structural characterization by NMR of a double phosphorylated chimeric peptide vaccine for treatment of Alzheimer's disease. PMID:23624647
Prediction of peak overlap in NMR spectra. PMID:23585271
Metabolite profiling to characterize disease-related bacteria: gluconate excretion by Pseudomonas aeruginosa mutants and clinical isolates from cystic fibrosis patients. PMID:23572517
Mammalian neuronal sodium channel blocker μ-conotoxin BuIIIB has a structured N-terminus that influences potency. PMID:23557677
Evaluation of Pacific white shrimp (Litopenaeus vannamei) health during a superintensive aquaculture growout using NMR-based metabolomics. PMID:23555690
NightShift: NMR shift inference by general hybrid model training--a framework for NMR chemical shift prediction. PMID:23496927
Dynamic nuclear polarization study of inhibitor binding to the M2(18-60) proton transporter from influenza A. PMID:23480101
NMR spectroscopy of macrophages loaded with native, oxidized or enzymatically degraded lipoproteins. PMID:23457556
Combining NMR and small angle X-ray and neutron scattering in the structural analysis of a ternary protein-RNA complex. PMID:23456097
Recent advances in computational methods for nuclear magnetic resonance data processing. PMID:23453016
Chemical shifts in biomolecules. PMID:23422068
Utility of 1H NMR chemical shifts in determining RNA structure and dynamics. PMID:23320790
Chapter 3: Small molecules and disease. PMID:23300405
HASH: a program to accurately predict protein Hα shifts from neighboring backbone shifts. PMID:23242797
MetaboID: a graphical user interface package for assignment of 1H NMR spectra of bodyfluids and tissues. PMID:23232331
The RCSB Protein Data Bank: new resources for research and education. PMID:23193259
Vivaldi: visualization and validation of biomacromolecular NMR structures from the PDB. PMID:23180575
Biomarkers of whale shark health: a metabolomic approach. PMID:23166652
HMDB 3.0--The Human Metabolome Database in 2013. PMID:23161693
Solution structure of the cold-shock-like protein from Rickettsia rickettsii. PMID:23143233
An assignment of intrinsically disordered regions of proteins based on NMR structures. PMID:23142703
Metabonomic analysis of water extracts from Chinese and American ginsengs by 1H nuclear magnetic resonance: identification of chemical profile for quality control. PMID:23140520
Novel conformation of an RNA structural switch. PMID:23134175
ECMDB: the E. coli Metabolome Database. PMID:23109553
MetaboLights--an open-access general-purpose repository for metabolomics studies and associated meta-data. PMID:23109552
Specific 12CβD(2)12CγD(2)S13CεHD(2) isotopomer labeling of methionine to characterize protein dynamics by 1H and 13C NMR relaxation dispersion. PMID:23106551
High-resolution homonuclear 2D NMR of carbon-13 enriched metabolites and their mixtures. PMID:23079590
The future of the Protein Data Bank. PMID:23023942
TOCCATA: a customized carbon total correlation spectroscopy NMR metabolomics database. PMID:23016498
Defensive spiroketals from Asceles glaber (Phasmatodea): absolute configuration and effects on ants and mosquitoes. PMID:22976590
An RNA Mapping DataBase for curating RNA structure mapping experiments. PMID:22976082
PPM: a side-chain and backbone chemical shift predictor for the assessment of protein conformational ensembles. PMID:22972619
Sample preparation of Mycobacterium tuberculosis extracts for nuclear magnetic resonance metabolomic studies. PMID:22971839
Creating a community resource for protein science. PMID:22969036
PACSY, a relational database management system for protein structure and chemical shift analysis. PMID:22903636
13C NMR reveals no evidence of n-π* interactions in proteins. PMID:22876300
Structural interactions between lipids, water and S1-S4 voltage-sensing domains. PMID:22858867
TSAR: a program for automatic resonance assignment using 2D cross-sections of high dimensionality, high-resolution spectra. PMID:22806130
Automated protein backbone assignment using the projection-decomposition approach. PMID:22806129
Analysis of bacterial biofilms using NMR-based metabolomics. PMID:22800371
Anisotropy of the Coulomb interaction between folded proteins: consequences for mesoscopic aggregation of lysozyme. PMID:22768950
Are Protein Force Fields Getting Better? A Systematic Benchmark on 524 Diverse NMR Measurements. PMID:22754404
Conformational selection and substrate binding regulate the monomer/dimer equilibrium of the C-terminal domain of Escherichia coli enzyme I. PMID:22722931
Water-refined solution structure of the human Grb7-SH2 domain in complex with the erbB2 receptor peptide pY1139. PMID:22702899
NMR structure of lipoprotein YxeF from Bacillus subtilis reveals a calycin fold and distant homology with the lipocalin Blc from Escherichia coli. PMID:22693626
An automated system designed for large scale NMR data deposition and annotation: application to over 600 assigned chemical shift data entries to the BioMagResBank from the Riken Structural Genomics/Proteomics Initiative internal database. PMID:22689068
Direct observation of phenylalanine orientations in statherin bound to hydroxyapatite surfaces. PMID:22563672
Carbon backbone topology of the metabolome of a cell. PMID:22540339
Combining automated peak tracking in SAR by NMR with structure-based backbone assignment from 15N-NOESY. PMID:22536902
Concentration of metabolites from low-density planktonic communities for environmental metabolomics using nuclear magnetic resonance spectroscopy. PMID:22508363
Implementing an X-ray validation pipeline for the Protein Data Bank. PMID:22505268
Application of NMR metabolomics to search for human disease biomarkers. PMID:22480238
Resolving nitrogen-15 and proton chemical shifts for mobile segments of elastin with two-dimensional NMR spectroscopy. PMID:22474297
NMR metabolomics of MTLn3E breast cancer cells identifies a role for CXCR4 in lipid and choline regulation. PMID:22432781
A helical conotoxin from Conus imperialis has a novel cysteine framework and defines a new superfamily. PMID:22399292
RNA-PAIRS: RNA probabilistic assignment of imino resonance shifts. PMID:22359049
Synergistic applications of MD and NMR for the study of biological systems. PMID:22319241
Combining NMR ensembles and molecular dynamics simulations provides more realistic models of protein structures in solution and leads to better chemical shift prediction. PMID:22314705
Putting the pieces together: integrative modeling platform software for structure determination of macromolecular assemblies. PMID:22272186
KB-Rank: efficient protein structure and functional annotation identification via text query. PMID:22270457
Protein loop closure using orientational restraints from NMR data. PMID:22161780
NRG-CING: integrated validation reports of remediated experimental biomolecular NMR data and coordinates in wwPDB. PMID:22139937
Ligand-specific structural changes in the vitamin D receptor in solution. PMID:22112050
PDBe: Protein Data Bank in Europe. PMID:22110033
STAP Refinement of the NMR database: a database of 2405 refined solution NMR structures. PMID:22102572
YMDB: the Yeast Metabolome Database. PMID:22064855
ConoServer: updated content, knowledge, and discovery tools in the conopeptide database. PMID:22058133
Uncovering symmetry-breaking vector and reliability order for assigning secondary structures of proteins from atomic NMR chemical shifts in amino acids. PMID:22038647
Transient, sparsely populated compact states of apo and calcium-loaded calmodulin probed by paramagnetic relaxation enhancement: interplay of conformational selection and induced fit. PMID:21999431
Protein Data Bank Japan (PDBj): maintaining a structural data archive and resource description framework format. PMID:21976737
Interactions of protein side chains with RNA defined with REDOR solid state NMR. PMID:21947838
Analysis of binding site hot spots on the surface of Ras GTPase. PMID:21945529
Automated sequence- and stereo-specific assignment of methyl-labeled proteins by paramagnetic relaxation and methyl-methyl nuclear Overhauser enhancement spectroscopy. PMID:21935714
Sparse non-negative generalized PCA with applications to metabolomics. PMID:21930672
Simultaneous use of solution, solid-state NMR and X-ray crystallography to study the conformational landscape of the Crh protein during oligomerization and crystallization. PMID:21918624
Structure, dynamics, and ionization equilibria of the tyrosine residues in Bacillus circulans xylanase. PMID:21912982
Ratio analysis nuclear magnetic resonance spectroscopy for selective metabolite identification in complex samples. PMID:21894988
Comparative analysis of essential collective dynamics and NMR-derived flexibility profiles in evolutionarily diverse prion proteins. PMID:21869604
Deconvolution of chemical mixtures with high complexity by NMR consensus trace clustering. PMID:21848333
Using the water signal to detect invisible exchanging protons in the catalytic triad of a serine protease. PMID:21809183
Extensive de novo solid-state NMR assignments of the 33 kDa C-terminal domain of the Ure2 prion. PMID:21805376
Homogeneous and heterogeneous tertiary structure ensembles of amyloid-β peptides. PMID:21797254
Estimation of interdomain flexibility of N-terminus of factor H using residual dipolar couplings. PMID:21793561
Structure-based prediction of methyl chemical shifts in proteins. PMID:21748266
Architecture of the high mobility group nucleosomal protein 2-nucleosome complex as revealed by methyl-based NMR. PMID:21730181
Protein side-chain resonance assignment and NOE assignment using RDC-defined backbones without TOCSY data. PMID:21706248
NMR analysis of a stress response metabolic signaling network. PMID:21692534
Quantifying millisecond time-scale exchange in proteins by CPMG relaxation dispersion NMR spectroscopy of side-chain carbonyl groups. PMID:21681650
MeRy-B: a web knowledgebase for the storage, visualization, analysis and annotation of plant NMR metabolomic profiles. PMID:21668943
Backbone resonance assignment and order tensor estimation using residual dipolar couplings. PMID:21667298
The Structural Biology Knowledgebase: a portal to protein structures, sequences, functions, and methods. PMID:21472436
The Protein Data Bank in Europe (PDBe): bringing structure to biology. PMID:21460450
Assessing the fractions of tautomeric forms of the imidazole ring of histidine in proteins as a function of pH. PMID:21422292
A graphical method for analyzing distance restraints using residual dipolar couplings for structure determination of symmetric protein homo-oligomers. PMID:21413097
Identification and quantification of metabolites in (1)H NMR spectra by Bayesian model selection. PMID:21398670
Hierarchical alignment and full resolution pattern recognition of 2D NMR spectra: application to nematode chemical ecology. PMID:21314130
A covariance NMR toolbox for MATLAB and OCTAVE. PMID:21215669
Solution NMR structure of Apo-calmodulin in complex with the IQ motif of human cardiac sodium channel NaV1.5. PMID:21167176
A novel strategy for NMR resonance assignment and protein structure determination. PMID:21161328
Modeling conformational ensembles of slow functional motions in Pin1-WW. PMID:21152000
13C/15N-19F intermolecular REDOR NMR study of the interaction of TAR RNA with Tat peptides. PMID:21105680
Simultaneous de novo identification of molecules in chemical mixtures by doubly indirect covariance NMR spectroscopy. PMID:21062057
PDBe: Protein Data Bank in Europe. PMID:21045060
CoNSEnsX: an ensemble view of protein structures and NMR-derived experimental data. PMID:21034466
Using NMR metabolomics to investigate tricarboxylic acid cycle-dependent signal transduction in Staphylococcus epidermidis. PMID:20861019
Intersubunit hydrophobic interactions in Pf1 filamentous phage. PMID:20736177
Capturing, sharing and analysing biophysical data from protein engineering and protein characterization studies. PMID:20724439
NMR metabolomic profiling reveals new roles of SUMOylation in DNA damage response. PMID:20695451
Straightforward and complete deposition of NMR data to the PDBe. PMID:20680401
The Role of Basic Amino Acids in the Molecular Recognition of Hydroxyapatite by Statherin using Solid State NMR. PMID:20676391
Biomolecular NMR data analysis. PMID:20625476
Validation of archived chemical shifts through atomic coordinates. PMID:20602353
Structural assembly of molecular complexes based on residual dipolar couplings. PMID:20550109
RNA internal loops with tandem AG pairs: the structure of the 5'GAGU/3'UGAG loop can be dramatically different from others, including 5'AAGU/3'UGAA. PMID:20481618
Computational design of a PAK1 binding protein. PMID:20460129
A probabilistic approach for validating protein NMR chemical shift assignments. PMID:20446018
Differences in the structure and dynamics of the apo- and palmitate-ligated forms of Aedes aegypti sterol carrier protein 2 (AeSCP-2). PMID:20356842
Ex-vivo HRMAS of adult brain tumours: metabolite quantification and assignment of tumour biomarkers. PMID:20331867
The predictive accuracy of secondary chemical shifts is more affected by protein secondary structure than solvent environment. PMID:20213252
Conformational flexibility of Y145Stop human prion protein amyloid fibrils probed by solid-state nuclear magnetic resonance spectroscopy. PMID:20121096
SAMPLEX: automatic mapping of perturbed and unperturbed regions of proteins and complexes. PMID:20102599
Analysis of 13Calpha and 13Cbeta chemical shifts of cysteine and cystine residues in proteins: a quantum chemical approach. PMID:20091207
Mass-spectrometry-based metabolomics: limitations and recommendations for future progress with particular focus on nutrition research. PMID:20046865
From protein sequences to 3D-structures and beyond: the example of the UniProt knowledgebase. PMID:20043185
The structure of the KlcA and ArdB proteins reveals a novel fold and antirestriction activity against Type I DNA restriction systems in vivo but not in vitro. PMID:20007596
The European Bioinformatics Institute's data resources. PMID:19934258
Solution NMR structures of proteins VPA0419 from Vibrio parahaemolyticus and yiiS from Shigella flexneri provide structural coverage for protein domain family PFAM 04175. PMID:19927321
4D prediction of protein (1)H chemical shifts. PMID:19876601
PDBe: Protein Data Bank in Europe. PMID:19858099
DNP enhanced frequency-selective TEDOR experiments in bacteriorhodopsin. PMID:19854082
Simple tests for the validation of multiple field spin relaxation data. PMID:19842046
Analysis of the amide (15)N chemical shift tensor of the C(alpha) tetrasubstituted constituent of membrane-active peptaibols, the alpha-aminoisobutyric acid residue, compared to those of di- and tri-substituted proteinogenic amino acid residues. PMID:19823773
Generalized indirect covariance NMR formalism for establishment of multidimensional spin correlations. PMID:19810742
The NMR restraints grid at BMRB for 5,266 protein and nucleic acid PDB entries. PMID:19809795
Quantum-mechanics-derived 13Calpha chemical shift server (CheShift) for protein structure validation. PMID:19805131
Pressure-dependent structure changes in barnase on ligand binding reveal intermediate rate fluctuations. PMID:19720037
Headgroup-dependent membrane catalysis of apelin-receptor interactions is likely. PMID:19708686
HAAD: A quick algorithm for accurate prediction of hydrogen atoms in protein structures. PMID:19693270
Alkyldimethylpyrazines in the defensive spray of Phyllium westwoodii: a first for order Phasmatodea. PMID:19685263
J-Based 3D sidechain correlation in solid-state proteins. PMID:19652843
Partially folded equilibrium intermediate of the villin headpiece HP67 defined by 13C relaxation dispersion. PMID:19644656
PINE-SPARKY: graphical interface for evaluating automated probabilistic peak assignments in protein NMR spectroscopy. PMID:19497931
Empirical correlation between protein backbone 15N and 13C secondary chemical shifts and its application to nitrogen chemical shift re-referencing. PMID:19436955
GeNMR: a web server for rapid NMR-based protein structure determination. PMID:19406927
Efficient and accurate estimation of relative order tensors from lambda-maps. PMID:19345125
Relationship between chemical shift value and accessible surface area for all amino acid atoms. PMID:19341463
Probabilistic interaction network of evidence algorithm and its application to complete labeling of peak lists from protein NMR spectroscopy. PMID:19282963
Distance matrix-based approach to protein structure prediction. PMID:19224393
Engineering a stable and selective peptide blocker of the Kv1.3 channel in T lymphocytes. PMID:19122005
A conserved glutamine plays a central role in LOV domain signal transmission and its duration. PMID:19063612
NMRDyn: a program for NMR relaxation studies of protein association. PMID:19043572
Protein chaperones Q8ZP25_SALTY from Salmonella typhimurium and HYAE_ECOLI from Escherichia coli exhibit thioredoxin-like structures despite lack of canonical thioredoxin active site sequence motif. PMID:19039680
HMDB: a knowledgebase for the human metabolome. PMID:18953024
Structure, dynamics, and selectivity of the sodium channel blocker mu-conotoxin SIIIA. PMID:18798648
Solution structure of the Pseudomonas putida protein PpPutA45 and its DNA complex. PMID:18767154
Estimation of relative order tensors, and reconstruction of vectors in space using unassigned RDC data and its application. PMID:18692422
Optimized expression and purification of myristoylated human neuronal calcium sensor 1 in E. coli. PMID:18634883
CS23D: a web server for rapid protein structure generation using NMR chemical shifts and sequence data. PMID:18515350
Structural insights on the pamoic acid and the 8 kDa domain of DNA polymerase beta complex: towards the design of higher-affinity inhibitors. PMID:18416825
Local knowledge helps determine protein structures. PMID:18353980
BioMagResBank (BMRB) as a partner in the Worldwide Protein Data Bank (wwPDB): new policies affecting biomolecular NMR depositions. PMID:18288446
Analyzing the flexibility of RNA structures by constraint counting. PMID:18281388

Tags:

Tags
More detailed information about this field from each metasource.

molecular entity
metasource: Fairsharing.org
version: FAIRsharing.org: NMR-STAR; NMR Self-defining Text Archive and Retrieval format; DOI: https://doi.org/10.25504/FAIRsharing.2chxxc; Last edited: Jan. 8, 2019, 1:35 p.m.; Last accessed: Jan 03 2022 7:11 p.m.

molecular structure
metasource: Fairsharing.org
version: FAIRsharing.org: NMR-STAR; NMR Self-defining Text Archive and Retrieval format; DOI: https://doi.org/10.25504/FAIRsharing.2chxxc; Last edited: Jan. 8, 2019, 1:35 p.m.; Last accessed: Jan 03 2022 7:11 p.m.

nuclear magnetic resonance (nmr) spectroscopy
metasource: Fairsharing.org
version: FAIRsharing.org: NMR-STAR; NMR Self-defining Text Archive and Retrieval format; DOI: https://doi.org/10.25504/FAIRsharing.2chxxc; Last edited: Jan. 8, 2019, 1:35 p.m.; Last accessed: Jan 03 2022 7:11 p.m.

molecular entity molecular structure nuclear magnetic resonance (nmr) spectroscopy

More to explore:

1/20

Previous Next

Need help integrating and/or managing biomedical data?

Webpage:

More to explore:

1/20

Biological Magnetic Resonance Databank

Nuclear Magnetic Resonance Controlled Vocabulary

Nuclear Magnetic Resonance Extracted Data Format

Collaborative Computing Project for NMR

nmrshiftdb2

Protein Data Bank Format

Metabolomic Repository Bordeaux

NRG-CING

Nuclear Magnetic Resonance Markup Language

NMRshiftDB

Statistical Torsional Angles Potentials of NMR Refinement Database

Minimum Information Required for A Glycomics Experiment - Guidelines for Reporting NMR Data on Glycan Structures

Carbohydrate Structure Database

MMCD

CCMRD

Minimum Information Required for A Glycomics Experiment - Guidelines for Reporting NMR Data on Binding of Glycans to Receptors

Proteomics Standards Initiative Extended Fasta Format

Analytical Information Markup Language

ICM binary file Format

PFCSDB