Biological Magnetic Resonance Data Bank

生物磁共振数据库

• 批准号: 10714470
• 负责人: JEFFREY C HOCH
• 金额: $ 75.18万
• 依托单位: UNIVERSITY OF CONNECTICUT SCH OF MED/DNT
• 依托单位国家: 美国
• 财政年份: 2023
• 资助国家: 美国
• 起止时间: 2023-09-20 至 2028-06-30
• 项目状态: 未结题
• 来源: https://reporter.nih.gov/project-details/10714470
• 关键词: Address; Ally; Architecture; Archives; Binding; Bioinformatics; Biological; Biological Markers; Biomedical Research; Biomolecular Nuclear Magnetic Resonance; Chemicals; Collaborations; Communities; Complex; Complex Mixtures; Computer software; Data; Data Set; Databases; Deposition; Development; Development Plans; Disease; Ensure; Environment; Europe; Extensible Markup Language; FAIR principles; Fostering; Funding; Growth; Health Services Accessibility; Hybrids; Improve Access; International; Japan; Joints; Journals; Ligands; Magnetic Resonance; Magnetic Resonance Spectroscopy; Maintenance; Metadata; Modernization; Molecular; Molecular Conformation; Molecular Structure; NMR Spectroscopy; Natural Products; Nuclear Magnetic Resonance; Nucleic Acids; Peer Review; Pharmaceutical Preparations; Population; Productivity; Protein Dynamics; Proteins; PubChem; Published Comment; Relaxation; Reporting; Research; Resource Development; Resources; Retrieval; Role; Service delivery model; Software Tools; System; Technology; Therapeutic; Time; Validation; archived data; biological systems; chemical property; collaboratory; community engagement; community planning; data archive; data exchange; data modeling; data repository; data resource; data standards; data submission; diverse data; drug discovery; experimental study; federated data; flexibility; improved; insight; member; metabolomics; molecular dynamics; novel strategies; nucleic acid structure; operation; peer support; programs; protein data bank; protein structure; repository; response; screening; simulation; small molecule; solid state nuclear magnetic resonance; structural biology; three dimensional structure; tool

The Biological Magnetic Resonance Data Bank (BMRB) is the unique worldwide resource that provides free access to the wealth of information on biomolecules derived from nuclear magnetic resonance (NMR) spectroscopy. As a member of the Worldwide 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). In its role in the wwPDB, BMRB is the designated archive for all NMR-related experimental data, implementation of standards for NMR data types, and development and maintenance of software for data deposition and validation. These NMR experimental data underlie the three-dimensional structures and conformations of many proteins and nucleic acids and provide important insights into their dynamics, chemical properties, and molecular interactions. NMR is also useful for characterizing biomolecular interactions, with applications to drug discovery, and in quantifying the components of complex mixtures of biomolecules, including metabolites and natural products. 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 (time-domain data), and derived results such as chemical shifts, peak intensities, scalar couplings, dipolar couplings, and relaxation and cross-relaxation rates. BMRB integrates these NMR data into a unified, global, molecular 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. The funds requested will enable BMRB to streamline operations, enhance sustainability, expand the diversity and level of coverage of biomolecular NMR data in response to community needs, and improve the findability, accessibility, interoperability, and reusability (FAIR) aspects of the archive. Operational efficiencies in verifying, reformatting, archiving, and distribution of new data, and continued productive interaction with users and creators of biomolecular NMR data is expected to increase the impact of the archive, and to facilitate collaboration with databanks specializing in related information so that useful connections are established.

生物磁共振数据库（BMRB）是唯一的全球资源，提供免费的 获取来自核磁共振（NMR）的生物分子的丰富信息 谱作为世界蛋白质数据库（wwPDB）的成员，BMRB与这三个组织有着密切的联系。 其他wwPDB合作伙伴：结构生物信息学研究合作实验室（RCSB），蛋白质数据库 欧洲蛋白质数据库（PDBe）和日本蛋白质数据库（PDBj）。在wwPDB中，BMRB是指定的 所有NMR相关实验数据的存档，NMR数据类型标准的实施，以及 开发和维护数据存放和验证软件。这些核磁共振实验数据 是许多蛋白质和核酸的三维结构和构象的基础， 对它们的动力学、化学性质和分子相互作用的重要见解。NMR还可用于 表征生物分子相互作用，应用于药物发现，并在定量组分 生物分子的复杂混合物，包括代谢物和天然产物。BMRB保持开放 体系结构和定义灵活的数据模型，使其能够快速响应 数据交换标准和核磁共振技术的稳步发展（存档数据的种类更多 以及越来越详细的关联元数据）。在BMRB存档的数据包括主要数据集（时域 数据），以及导出的结果，例如化学位移、峰强度、标量耦合、偶极耦合，以及 弛豫和交叉弛豫速率。BMRB将这些NMR数据集成到一个统一的，全球的，分子的 数据库的一般效用，以广泛的科学界。现有数据的数量和多样性不断增加 正在催化变革性的科学应用，例如确定蛋白质结构 和动力学直接来自化学位移。BMRB及其合作者开发了改进的软件工具， 在分子结构的背景下整合NMR数据的检索、分析和显示， 构象所要求的资金将使BMRB能够简化业务，提高可持续性，扩大 生物分子核磁共振数据的多样性和覆盖水平，以满足社区的需求，并提高 归档的可查找性、可访问性、互操作性和可重用性（FAIR）方面。业务效率 验证、重新格式化、存档和分发新数据，并与用户进行持续的有效互动 生物分子核磁共振数据的创造者预计将增加档案的影响，并促进 与专门处理相关信息的数据库合作，以便建立有用的联系。