Biological Magnetic Resonance Data Bank

生物磁共振数据库

• 批准号: 7796875
• 负责人: JOHN LUTE MARKLEY
• 金额: $ 74.99万
• 依托单位: UNIVERSITY OF WISCONSIN-MADISON
• 依托单位国家: 美国
• 财政年份: 1996
• 资助国家: 美国
• 起止时间: 1996-09-01 至 2014-09-14
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/7796875
• 关键词: Address; Adoption; Advisory Committees; Algorithms; American; Architecture; Archives; Area; Binding; Biochemistry; Bioinformatics; Biological; Biology; Biomedical Research; Biomolecular Nuclear Magnetic Resonance; Budgets; California; Charge; Chemicals; Chemistry; Collaborations; Collection; Communities; Complex; Computer software; Computers; Consultations; Data; Data Set; Databases; Deposition; Development; Dictionary; Drug Design; European; Factor X; Frequencies; Funding; Future; Generations; Government; Grant; Heterogeneity; Human; Hydrogen; Imagery; Industry; Institutes; Institution; International; Japan; Journals; Ligands; Link; Magnetic Resonance; Magnetic Resonance Spectroscopy; Medical; Metadata; Mission; Modeling; Molecular; Molecular Biology; Molecular Conformation; Molecular Structure; NMR Spectroscopy; Natural Product Drug; Nomenclature; Nuclear; Nuclear Magnetic Resonance; Nucleic Acids; Ontology; Peer Review; Peptides; Pharmaceutical Preparations; Policies; Polynucleotides; Polysaccharides; Process; Proteins; Proteomics; Protocols documentation; Publications; Relaxation; Research; Research Institute; Research Personnel; Resources; Retrieval; Review Literature; Roentgen Rays; Role; Science; Scientist; Site; Societies; Software Tools; Solutions; Specific qualifier value; Stream; Structure; System; Technology; Therapeutic; Time; Training and Education; United States National Institutes of Health; Universities; Validation; Videoconferences; Videoconferencing; Work; chemical property; collaboratory; conformational conversion; conformer; data exchange; data mining; data modeling; database design; distributed data; flexibility; improved; indexing; innovation; insight; interest; macromolecule; meetings; member; metabolomics; nucleic acid structure; operation; protein structure; remediation; restraint; small molecule; software development; structural biology; structural genomics; sugar; symposium; three dimensional structure; tool; web site

DESCRIPTION (provided by applicant): 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 European Bioinformatics Institute (EBI), 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.

描述（由申请人提供）： BioMagResBank (BMRB) 是独一无二的全球资源，可免费获取丰富的信息 来自核磁共振 (NMR) 光谱的生物分子信息。这些核磁共振实验数据是许多蛋白质和核酸三维结构的基础，并为它们的动力学、化学性质和分子相互作用提供了重要的见解。 BMRB 维护开放式架构和定义灵活的数据模型，使其能够快速响应数据交换标准的变化以及 NMR 技术的稳定进步（更多样化的存档数据和越来越详细的相关元数据）。 BMRB 存档的数据包括主要数据集和衍生结果，例如与三维结构相关的化学位移、耦合和交叉弛豫、指定局部动力学的参数、分配给特定位点的 pKa 值、H 交换率以及构象异质性和分子相互作用的证据。 BMRB 将这些 NMR 数据整合到一个统一的、全球性的大分子结构数据库中，对广大科学界具有通用性。 BMRB 提供的数据量和多样性不断增长，正在促进变革性的科学应用，例如直接根据化学位移确定蛋白质结构和动力学。 BMRB 及其合作者开发了改进的软件工具，用于在分子结构和构象的背景下集成 NMR 数据的检索、分析和显示。作为世界蛋白质数据库 (wwPDB) 的成员，BMRB 与其他三个 wwPDB 合作伙伴有着密切的联系：结构生物信息学研究合作实验室 (RCSB)、欧洲生物信息学研究所 (EBI) 和日本蛋白质数据库 (PDBj)。 BMRB 与 RCSB 合作开发的 ADIT-NMR 沉积系统负责获取去年归档的 95% 以上的新内容。 BMRB 与软件工具开发商合作，从 NMR 光谱数据中提取信息并验证该信息。所申请的资金将使 BMRB (1) 能够验证、重新格式化、存档和分发以电子方式提交的新数据，(2) 与生物分子 NMR 数据的用户和创建者保持富有成效的对话，(3) 维持和加强 BMRB 在 wwPDB 中的作用，(4) 与专门从事相关信息的数据库合作，以便创建有用的链接，以及 (5) 与生物分子 NMR 数据的开发人员进行互动 利用生物分子核磁共振数据的新软件和算法。