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)是全球唯一免费提供 从核磁共振中获取丰富的生物分子信息 光谱学。作为世界蛋白质数据库(WWPDB)的成员，BMRB与这三个数据库有着密切的联系 WWPDB的其他合作伙伴：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)。由于其在WWPDB中的作用，BMRB被指定为 所有核磁共振相关实验数据的存档，核磁共振数据类型标准的实施，以及 开发和维护用于数据存储和验证的软件。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，并提供 对它们的动力学、化学性质和分子相互作用的重要见解。核磁共振也可用于 生物分子相互作用的表征及其在药物发现和成分量化中的应用 生物分子的复杂混合物，包括代谢物和天然产品。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(更多种类的归档数据 以及越来越详细的关联元数据)。在BMRB归档的数据包括主数据集(时间域 数据)，以及诸如化学位移、峰强度、标量耦合、偶极耦合以及 松弛速率和交叉松弛速率。BMRB将这些核磁共振数据集成到统一的、全球的、分子 面向广大科学界的通用实用程序数据库。可用数据的数量和多样性不断增长 来自BMRB的是催化变革性的科学应用，例如确定蛋白质结构 以及直接来自化学位移的动力学。BMRB及其合作者开发改进的软件工具 将核磁共振数据的检索、分析和显示集成到分子结构和 构象。所需资金将使BMRB能够精简业务、增强可持续性、扩大 生物分子核磁共振数据的多样性和覆盖水平，以响应社区需求，并改善 档案的可查找性、可访问性、互操作性和可重用性(公平)方面。提高运营效率 验证、重新格式化、归档和分发新数据，并与用户进行持续高效的交互 生物分子核磁共振数据的创建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。