The BioMagResBank (BMRB) is the unique worldwide resource that provides free access to the wealth of information on biomolecules derived from nuclear magnetic resonance (NMR) spectroscopy. These NMR experimental data underlie the three-dimensional structures of many proteins and nucleic acids and provide important insights into their dynamics, chemical properties, and molecular interactions. BMRB maintains an open architecture and a defined and flexible data model that makes it possible to respond rapidly to changes in standards for data exchange and to the steady advances in NMR technology (greater variety of archived data and increasingly detailed associated metadata). Data archived at BMRB include primary data sets and derived results, such as chemical shifts, couplings, and cross relaxations associated with three- dimensional structures, parameters that specify local dynamics, pKa values assigned to specific sites, H- exchange rates, and evidence for conformational heterogeneity and molecular interactions. BMRB integrates these NMR data into a unified, global, macromolecular structure database of general utility to the broad scientific community. The growing volume and diversity of data available from BMRB are catalyzing transformative scientific applications, such as the determination of protein structure and dynamics directly from chemical shifts. BMRB and its collaborators develop improved software tools for integrating the retrieval, analysis, and display of NMR data in the context of molecular structure and conformation. As a member of the World Wide Protein Data Bank (wwPDB), BMRB has close ties with the three other wwPDB partners: the Research Collaboratory for Structural Bioinformatics (RCSB), the Protein Data Bank in Europe (PDBe), and the Protein Data Bank of Japan (PDBj). The ADIT-NMR deposition system developed by BMRB in collaboration with the RCSB is responsible for acquiring over 95% of the new content brought into the archive in the past year. BMRB collaborates with developers of software tools for extracting information from NMR spectral data and for validating this information. The funds requested will enable BMRB (1) to verify, reformat, archive, and distribute new data submitted electronically, (2) to maintain a productive dialogue with users and creators of biomolecular NMR data, (3) to maintain and strengthen BMRB's role in the wwPDB, (4) to collaborate with databanks specializing in related information so that useful links are created, and (5) to interact with developers of new software and algorithms that make use of biomolecular NMR data.
The BioMagResBank data repository supports the biomedical research efforts of the world wide biological macromolecular magnetic resonance (MR) community. Magnetic resonance spectroscopy is a key tool used to understand the medical significance of protein and nucleic acid structure, to identify potential drug therapeutics, and to characterize metabolites and disease biomarkers.
| Dashti, Hesam; Wedell, Jonathan R; Westler, William M et al. (2018) Applications of Parametrized NMR Spin Systems of Small Molecules. Anal Chem 90:10646-10649 |
| Gore, Swanand; Sanz García, Eduardo; Hendrickx, Pieter M S et al. (2017) Validation of Structures in the Protein Data Bank. Structure 25:1916-1927 |
| Burley, Stephen K; Berman, Helen M; Kleywegt, Gerard J et al. (2017) Protein Data Bank (PDB): The Single Global Macromolecular Structure Archive. Methods Mol Biol 1607:627-641 |
| Markley, John L; Westler, William Milo (2017) Biomolecular NMR: Past and future. Arch Biochem Biophys 628:3-16 |
| Eghbalnia, Hamid R; Romero, Pedro R; Westler, William M et al. (2017) Increasing rigor in NMR-based metabolomics through validated and open source tools. Curr Opin Biotechnol 43:56-61 |
| Burley, Stephen K; Kurisu, Genji; Markley, John L et al. (2017) PDB-Dev: a Prototype System for Depositing Integrative/Hybrid Structural Models. Structure 25:1317-1318 |
| Young, Jasmine Y; Westbrook, John D; Feng, Zukang et al. (2017) OneDep: Unified wwPDB System for Deposition, Biocuration, and Validation of Macromolecular Structures in the PDB Archive. Structure 25:536-545 |
| Markley, John L; Brüschweiler, Rafael; Edison, Arthur S et al. (2017) The future of NMR-based metabolomics. Curr Opin Biotechnol 43:34-40 |
| Dashti, Hesam; Westler, William M; Markley, John L et al. (2017) Unique identifiers for small molecules enable rigorous labeling of their atoms. Sci Data 4:170073 |
| Dashti, Hesam; Westler, William M; Tonelli, Marco et al. (2017) Spin System Modeling of Nuclear Magnetic Resonance Spectra for Applications in Metabolomics and Small Molecule Screening. Anal Chem 89:12201-12208 |
Showing the most recent 10 out of 19 publications
