The BMRB as an evolving resource for biomolecular structure-function research

BMRB 作为生物分子结构功能研究的不断发展的资源

• 批准号: 8615052
• 负责人: JOHN LUTE MARKLEY
• 金额: $ 16.12万
• 依托单位: UNIVERSITY OF WISCONSIN-MADISON
• 依托单位国家: 美国
• 财政年份: 2014
• 资助国家: 美国
• 起止时间: 2014-05-15 至 2019-03-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/8615052
• 关键词: Address; Adopted; Advisory Committees; Algorithmic Software; Architecture; Archives; Back; Binding; Bioinformatics; Biological; Biological Markers; Biological Process; Biomedical Research; Biomolecular Nuclear Magnetic Resonance; Carbohydrates; Chemicals; Collaborations; Communication; Communities; Computer software; Computers; Data; Data Analyses; Data Set; Databases; Deposition; Development; Disease; Emerging Technologies; Engineering; Europe; Evolution; Feeds; Funding; Goals; Heterogeneity; Hybrids; Imagery; Indium; Internet; Japan; Knowledge; Link; Literature; Magnetic Resonance; Magnetic Resonance Spectroscopy; Medical; Metadata; Methods; Mining; Mission; Molecular Conformation; Molecular Structure; NMR Spectroscopy; Nuclear Magnetic Resonance; Nucleic Acids; Ontology; Pathway interactions; Peer Review; Pharmaceutical Preparations; Process; Protein Chemistry; Protein Dynamics; Proteins; Relaxation; Research; Resources; Retrieval; Role; Science; Scientist; Side; Site; Software Tools; Source; Specific qualifier value; Structure; System; Techniques; Technology; Therapeutic; Training; Universities; Validation; Wisconsin; biological systems; biophysical techniques; chemical property; collaboratory; complex biological systems; computerized data processing; data exchange; data modeling; design; flexibility; improved; innovation; innovative technologies; insight; member; next generation; novel; nucleic acid structure; protein structure; public health relevance; simulation; software development; structural biology; three dimensional structure; tool; web services

PROJECT SUMMARY/ABSTRACT 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.

项目摘要/摘要 BioMagresbank（BMRB）是独特的全球资源，可免费获得获得的财富 关于源自核磁共振（NMR）光谱的生物分子的信息。这些NMR 实验数据是许多蛋白质和核酸的三维结构，并提供 对其动力学，化学特性和分子相互作用的重要见解。 BMRB维持一个 开放式体系结构和定义且灵活的数据模型，可以快速响应 数据交换标准的变化以及NMR技术的稳定进步（更多的种类繁多 存档的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 集合和衍生结果，例如化学位移，耦合和与三个相关的交叉弛豫 维数结构，指定局部动力学的参数，分配给特定站点的PKA值，H- 汇率和构象异质性和分子相互作用的证据。 BMRB 将这些NMR数据集成到通用实用程序的统一的，全局的，大分子的结构数据库中 广泛的科学界。 BMRB可用的数据的增长和多样性正在催化 变革性科学应用，例如直接确定蛋白质结构和动力学 从化学移位。 BMRB及其合作者开发了改进的软件工具，以集成 在分子结构和构象的背景下，检索，分析和显示NMR数据。作为 BMRB的世界文化蛋白数据库（WWPDB）成员与其他三个WWPDB有着密切的联系 合作伙伴：结构生物信息学研究合作（RCSB），欧洲的蛋白质数据库 （PDBE）和日本蛋白质数据库（PDBJ）。 ADIT-NMR沉积系统由 BMRB与RCSB合作负责获取超过95％的新内容 过去一年的档案。 BMRB与软件工具开发人员合作，以提取信息 来自NMR光谱数据并验证此信息。要求的资金将使BMRB（1） 验证，重新格式化，存档和分发以电子方式提交的新数据，（2）保持生产力 与生物分子NMR数据的用户和创建者对话，（3）维护和增强BMRB在 WWPDB，（4）与专门研究相关信息的数据库合作，以便有用的链接是 创建的，以及（5）与使用生物分子的新软件和算法的开发人员进行交互 NMR数据。