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; 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）是提供免费的全球资源 获取有关核磁共振（NMR）的生物分子的丰富信息 光谱法。作为全球蛋白质数据库（WWPDB）的成员，BMRB与三个 其他WWPDB合作伙伴：结构生物信息学研究合作（RCSB），蛋白质数据库 在欧洲（PDBE）和日本蛋白质数据库（PDBJ）。 BMRB在WWPDB中的角色是指定的 所有与NMR相关的实验数据的档案，NMR数据类型的标准的实现以及 用于数据沉积和验证的软件的开发和维护。这些NMR实验数据 基于许多蛋白质和核酸的三维结构和构象，并提供 对其动力学，化学特性和分子相互作用的重要见解。 NMR也对 表征生物分子相互作用，并应用于药物发现并量化成分 生物分子的复杂混合物，包括代谢产物和天然产物。 BMRB保持开放 体系结构和定义且灵活的数据模型，可以快速响应变化 数据交换标准和NMR技术的稳定进步（更多的存档数据 并越来越详细的相关元数据）。 BMRB存档的数据包括主要数据集（时间域 数据）和衍生结果，例如化学位移，峰强度，标量耦合，偶极耦合和 放松和交叉解释率。 BMRB将这些NMR数据集成到统一的，全局的分子中 广泛科学界的通用效用数据库。可用数据的量增长和多样性 来自BMRB是催化变革性科学应用，例如确定蛋白质结构 直接来自化学移位的动力学。 BMRB及其合作者开发了改进的软件工具 在分子结构和 构象。要求的资金将使BMRB能够简化运营，增强可持续性，扩展 生物分子NMR数据响应社区需求的多样性和覆盖率，并改善 可查找性，可访问性，互操作性和可重复使用性（公平）档案的各个方面。运营效率 验证，重新格式化，存档和分发新数据，并与用户继续互动 预计生物分子NMR数据的创建者将增加档案的影响，并促进 与专门研究相关信息的数据库协作，以建立有用的连接。