R3ZC7X last accessed: 2022-11-04

bmrb
metasource: bio.tools
version: extracted_at: 2022-11-04T11:28:39.987884

Other names: BMRB, BioMagResBank, Biological Magnetic Resonance Data Bank, bmrb

BMRB collects, annotates, archives, and disseminates (worldwide in the public domain) the important spectral and quantitative data derived from NMR spectroscopic investigations of biological macromolecules and metabolites. The goal is to empower scientists in their analysis of the structure, dynamics, and chemistry of biological systems and to support further development of the field of biomolecular NMR spectroscopy.

Webpage:

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

Licence:

Name: BMRB Attribution required, Publicly available data
URL: https://bmrb.io/

Publications:

Publications
More detailed information about this field from each metasource.

BioMagResBank
PMID: 17984079
metasource: Fairsharing.org
version: FAIRsharing.org: BMRB; Biological Magnetic Resonance Databank; DOI: https://doi.org/10.25504/FAIRsharing.p06nme; Last edited: June 30, 2021, 10:10 a.m.; Last accessed: Jan 03 2022 7:09 p.m.

BioMagResBank (BMRB) as a partner in the Worldwide Protein Data Bank (wwPDB): new policies affecting biomolecular NMR depositions
PMID: 18288446
metasource: Fairsharing.org
version: FAIRsharing.org: BMRB; Biological Magnetic Resonance Databank; DOI: https://doi.org/10.25504/FAIRsharing.p06nme; Last edited: June 30, 2021, 10:10 a.m.; Last accessed: Jan 03 2022 7:09 p.m.

BioMagResBank (BMRB) as a Resource for Structural Biology
PMID: 32006287
metasource: bio.tools
version: extracted_at: 2022-11-04T11:28:39.987884

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
BioMagResBank (BMRB) as a partner in the Worldwide Protein Data Bank (wwPDB): new policies affecting biomolecular NMR depositions PubMed citations: 58.

58 articles citing: BioMagResBank (BMRB) as a partner in the Worldwide Protein Data Bank (wwPDB): new policies affecting biomolecular NMR depositions

Pleiotrophin Interaction with Synthetic Glycosaminoglycan Mimetics. PMID:35631323
Searching for drug leads targeted to the hydrophobic cleft of dengue virus capsid protein. PMID:34894959
Identification of Potential Drug Targets of Broad-Spectrum Inhibitors with a Michael Acceptor Moiety Using Shotgun Proteomics. PMID:34578337
Moving beyond static snapshots: Protein dynamics and the Protein Data Bank. PMID:33961840
The Protein Data Bank Archive. PMID:33950382
Recent Force Field Strategies for Intrinsically Disordered Proteins. PMID:33591749
Polycythemia Vera and Essential Thrombocythemia Patients Exhibit Unique Serum Metabolic Profiles Compared to Healthy Individuals and Secondary Thrombocytosis Patients. PMID:33513807
RCSB Protein Data Bank: powerful new tools for exploring 3D structures of biological macromolecules for basic and applied research and education in fundamental biology, biomedicine, biotechnology, bioengineering and energy sciences. PMID:33211854
A distal regulatory region of a class I human histone deacetylase. PMID:32737323
The data universe of structural biology. PMID:32695409
Pilot Multi-Omic Analysis of Human Bile from Benign and Malignant Biliary Strictures: A Machine-Learning Approach. PMID:32575903
Phosphorus NMR and Its Application to Metabolomics. PMID:32530272
Active and prospective latent tuberculosis are associated with different metabolomic profiles: clinical potential for the identification of rapid and non-invasive biomarkers. PMID:32486916
Modeling pH-Dependent NMR Chemical Shift Perturbations in Peptides. PMID:31255294
Modulation of Transmembrane Domain Interactions in Neu Receptor Tyrosine Kinase by Membrane Fluidity and Cholesterol. PMID:31222471
Hepatitis C virus sequence divergence preserves p7 viroporin structural and dynamic features. PMID:31182749
Chemical shift-based methods in NMR structure determination. PMID:31047599
Characterising side chains in large proteins by protonless 13C-detected NMR spectroscopy. PMID:30988305
Identification of Unknown Metabolomics Mixture Compounds by Combining NMR, MS, and Cheminformatics. PMID:30638535
Exploratory machine-learned theoretical chemical shifts can closely predict metabolic mixture signals. PMID:30542569
Transitions in DNA polymerase β μs-ms dynamics related to substrate binding and catalysis. PMID:29917149
Expanding the Coverage of the Metabolome with Nitrogen-Based NMR. PMID:29505241
Recommended strategies for spectral processing and post-processing of 1D 1H-NMR data of biofluids with a particular focus on urine. PMID:29479299
Protein Data Bank (PDB): The Single Global Macromolecular Structure Archive. PMID:28573592
Current and Future Perspectives on the Structural Identification of Small Molecules in Biological Systems. PMID:27983674
Empowering pharmacoinformatics by linked life science data. PMID:27830428
The archiving and dissemination of biological structure data. PMID:27450113
Bioinformatics-Aided Venomics. PMID:26110505
Outcome of the First wwPDB Hybrid/Integrative Methods Task Force Workshop. PMID:26095030
(13)C NMR Metabolomics: INADEQUATE Network Analysis. PMID:25932900
The chemical component dictionary: complete descriptions of constituent molecules in experimentally determined 3D macromolecules in the Protein Data Bank. PMID:25540181
Protein structural information derived from NMR chemical shift with the neural network program TALOS-N. PMID:25502373
Protein structure annotation resources. PMID:25502191
The Protein Data Bank archive as an open data resource. PMID:25062767
Influence of iron and aeration on Staphylococcus aureus growth, metabolism, and transcription. PMID:24706736
NMRDSP: an accurate prediction of protein shape strings from NMR chemical shifts and sequence data. PMID:24376713
PDBe: Protein Data Bank in Europe. PMID:24288376
High-resolution NMR reveals secondary structure and folding of amino acid transporter from outer chloroplast membrane. PMID:24205117
HR-MAS NMR tissue metabolomic signatures cross-validated by mass spectrometry distinguish bladder cancer from benign disease. PMID:23731241
Protein backbone and sidechain torsion angles predicted from NMR chemical shifts using artificial neural networks. PMID:23728592
The role of structural bioinformatics resources in the era of integrative structural biology. PMID:23633580
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
Trendspotting in the Protein Data Bank. PMID:23337870
Secondary structural analysis of proteins based on (13)C chemical shift assignments in unresolved solid-state NMR spectra enhanced by fragmented structure database. PMID:23271376
CING: an integrated residue-based structure validation program suite. PMID:22986687
Creating a community resource for protein science. PMID:22969036
PACSY, a relational database management system for protein structure and chemical shift analysis. PMID:22903636
The UniProtKB/Swiss-Prot Tox-Prot program: A central hub of integrated venom protein data. PMID:22465017
ECOMICS: a web-based toolkit for investigating the biomolecular web in ecosystems using a trans-omics approach. PMID:22319563
Animal Toxins: How is Complexity Represented in Databases? PMID:22069583
Graphical representation and mathematical characterization of protein sequences and applications to viral proteins. PMID:21570664
Straightforward and complete deposition of NMR data to the PDBe. PMID:20680401
NMR Constraints Analyser: a web-server for the graphical analysis of NMR experimental constraints. PMID:20513646
Prediction of Xaa-Pro peptide bond conformation from sequence and chemical shifts. PMID:20041279
DNP enhanced frequency-selective TEDOR experiments in bacteriorhodopsin. PMID:19854082
The NMR restraints grid at BMRB for 5,266 protein and nucleic acid PDB entries. PMID:19809795
TALOS+: a hybrid method for predicting protein backbone torsion angles from NMR chemical shifts. PMID:19548092
Relationship between chemical shift value and accessible surface area for all amino acid atoms. PMID:19341463
BioMagResBank (BMRB) as a Resource for Structural Biology PubMed citations: 12.

12 articles citing: BioMagResBank (BMRB) as a Resource for Structural Biology

Structure determination of high-energy states in a dynamic protein ensemble. PMID:35236984
Merging NMR Data and Computation Facilitates Data-Centered Research. PMID:35111815
Databases for intrinsically disordered proteins. PMID:35102880
Statistical mediation of the relationships between chronological age and lipoproteins by nonessential amino acids in healthy men. PMID:34900130
New system for archiving integrative structures. PMID:34866606
Advances in decomposing complex metabolite mixtures using substructure- and network-based computational metabolomics approaches. PMID:34821250
RCSB Protein Data Bank resources for structure-facilitated design of mRNA vaccines for existing and emerging viral pathogens. PMID:34739839
Protein Data Bank Japan: Celebrating our 20th anniversary during a global pandemic as the Asian hub of three dimensional macromolecular structural data. PMID:34664328
PDB-101: Educational resources supporting molecular explorations through biology and medicine. PMID:34601771
PED in 2021: a major update of the protein ensemble database for intrinsically disordered proteins. PMID:33305318
Metabolomic Approaches to Study Chemical Exposure-Related Metabolism Alterations in Mammalian Cell Cultures. PMID:32961865
The data universe of structural biology. PMID:32695409

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molecular entity
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molecular structure
metasource: Fairsharing.org
version: FAIRsharing.org: BMRB; Biological Magnetic Resonance Databank; DOI: https://doi.org/10.25504/FAIRsharing.p06nme; Last edited: June 30, 2021, 10:10 a.m.; Last accessed: Jan 03 2022 7:09 p.m.

nuclear magnetic resonance (nmr) spectroscopy
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version: FAIRsharing.org: BMRB; Biological Magnetic Resonance Databank; DOI: https://doi.org/10.25504/FAIRsharing.p06nme; Last edited: June 30, 2021, 10:10 a.m.; Last accessed: Jan 03 2022 7:09 p.m.

nucleic acid
metasource: Fairsharing.org
version: FAIRsharing.org: BMRB; Biological Magnetic Resonance Databank; DOI: https://doi.org/10.25504/FAIRsharing.p06nme; Last edited: June 30, 2021, 10:10 a.m.; Last accessed: Jan 03 2022 7:09 p.m.

peptide
metasource: Fairsharing.org
version: FAIRsharing.org: BMRB; Biological Magnetic Resonance Databank; DOI: https://doi.org/10.25504/FAIRsharing.p06nme; Last edited: June 30, 2021, 10:10 a.m.; Last accessed: Jan 03 2022 7:09 p.m.

protein
metasource: Fairsharing.org
version: FAIRsharing.org: BMRB; Biological Magnetic Resonance Databank; DOI: https://doi.org/10.25504/FAIRsharing.p06nme; Last edited: June 30, 2021, 10:10 a.m.; Last accessed: Jan 03 2022 7:09 p.m.

protein structure
metasource: Fairsharing.org
version: FAIRsharing.org: BMRB; Biological Magnetic Resonance Databank; DOI: https://doi.org/10.25504/FAIRsharing.p06nme; Last edited: June 30, 2021, 10:10 a.m.; Last accessed: Jan 03 2022 7:09 p.m.

metasource: Nucleic Acid Research database catalogue
version: extracted_at: 2022-11-04T11:16:25.468657

spectrum
metasource: Fairsharing.org
version: FAIRsharing.org: BMRB; Biological Magnetic Resonance Databank; DOI: https://doi.org/10.25504/FAIRsharing.p06nme; Last edited: June 30, 2021, 10:10 a.m.; Last accessed: Jan 03 2022 7:09 p.m.

structure
metasource: Fairsharing.org
version: FAIRsharing.org: BMRB; Biological Magnetic Resonance Databank; DOI: https://doi.org/10.25504/FAIRsharing.p06nme; Last edited: June 30, 2021, 10:10 a.m.; Last accessed: Jan 03 2022 7:09 p.m.

structure databases
metasource: Nucleic Acid Research database catalogue
version: extracted_at: 2022-11-04T11:16:25.468657

nmr
metasource: re3data.org
version: re3data.org: Biological Magnetic Resonance Data Bank; editing status 2021-09-02; re3data.org - Registry of Research Data Repositories. http://doi.org/10.17616/R3ZC7X last accessed: 2022-11-04

metasource: bio.tools
version: extracted_at: 2022-11-04T11:28:39.987884

biomolecules
metasource: re3data.org
version: re3data.org: Biological Magnetic Resonance Data Bank; editing status 2021-09-02; re3data.org - Registry of Research Data Repositories. http://doi.org/10.17616/R3ZC7X last accessed: 2022-11-04

genomics
metasource: re3data.org
version: re3data.org: Biological Magnetic Resonance Data Bank; editing status 2021-09-02; re3data.org - Registry of Research Data Repositories. http://doi.org/10.17616/R3ZC7X last accessed: 2022-11-04

nucleic acids
metasource: re3data.org
version: re3data.org: Biological Magnetic Resonance Data Bank; editing status 2021-09-02; re3data.org - Registry of Research Data Repositories. http://doi.org/10.17616/R3ZC7X last accessed: 2022-11-04

peptides
metasource: re3data.org
version: re3data.org: Biological Magnetic Resonance Data Bank; editing status 2021-09-02; re3data.org - Registry of Research Data Repositories. http://doi.org/10.17616/R3ZC7X last accessed: 2022-11-04

proteins
metasource: re3data.org
version: re3data.org: Biological Magnetic Resonance Data Bank; editing status 2021-09-02; re3data.org - Registry of Research Data Repositories. http://doi.org/10.17616/R3ZC7X last accessed: 2022-11-04

spectroscopy
metasource: re3data.org
version: re3data.org: Biological Magnetic Resonance Data Bank; editing status 2021-09-02; re3data.org - Registry of Research Data Repositories. http://doi.org/10.17616/R3ZC7X last accessed: 2022-11-04

small molecules
metasource: bio.tools
version: extracted_at: 2022-11-04T11:28:39.987884

metabolomics
metasource: bio.tools
version: extracted_at: 2022-11-04T11:28:39.987884

biophysics
metasource: bio.tools
version: extracted_at: 2022-11-04T11:28:39.987884

chemistry
metasource: bio.tools
version: extracted_at: 2022-11-04T11:28:39.987884

molecular entity molecular structure nuclear magnetic resonance (nmr) spectroscopy nucleic acid peptide protein protein structure spectrum structure structure nmr biomolecules genomics nucleic acids peptides proteins spectroscopy small molecule metabolomics biophysics chemistry

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NMR Self-defining Text Archive and Retrieval format

Nuclear Magnetic Resonance Controlled Vocabulary

NRG-CING

Nuclear Magnetic Resonance Extracted Data Format

nmrshiftdb2

Nuclear Magnetic Resonance Markup Language

Collaborative Computing Project for NMR

Protein Data Bank Format

Protein Data Bank in Europe

Metabolomic Repository Bordeaux

NMRshiftDB

Nucleic Acids Database

Worldwide Protein Data Bank

CCMRD

Carbohydrate Structure Database

MMCD

Statistical Torsional Angles Potentials of NMR Refinement Database

RCSB Protein Data Bank

Analytical Information Markup Language

Metabolomics Workbench