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: 9253407
• 负责人: JOHN LUTE MARKLEY
• 金额: $ 66.22万
• 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/9253407
• 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; Elements; Emerging Technologies; Engineering; Europe; Evolution; Feeds; Funding; Goals; Heterogeneity; Hybrids; Japan; Knowledge; Link; Literature; Magnetic Resonance; Magnetic Resonance Spectroscopy; Medical; Metadata; Methods; 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; annotation system; biological systems; biophysical techniques; chemical property; collaboratory; complex biological systems; computerized data processing; data archive; data exchange; data modeling; data visualization; database structure; design; feeding; flexibility; improved; innovation; innovative technologies; insight; member; next generation; novel; nucleic acid structure; open data; protein structure; public health relevance; simulation; software development; spectroscopic data; structural biology; three dimensional structure; tool; web portal; web services

DESCRIPTION (provided by applicant): 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 scientifi 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.

描述（由申请人提供）：BioMagresbank（BMRB）是独特的全球资源，可免费访问源自核磁共振（NMR）光谱的生物分子的丰富信息。这些NMR实验数据是许多蛋白质和核酸的三维结构的基础，并为其动力学，化学性质和分子相互作用提供了重要的见解。 BMRB保持开放的体系结构和定义且灵活的数据模型，这使得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（更多的存档数据和越来越详细的相关元数据）。在BMRB上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，耦合和交叉放松，指定局部动力学的参数，分配给特定位点的PKA值，H-汇率率以及构象异质性和分子相互作用的证据。 BMRB将这些NMR数据集成到广泛科学界的通用效用的统一，全球，大分子结构数据库中。 BMRB可获得的数据的增长和多样性是催化变革性的科学应用，例如直接从化学移位中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，以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。作为万维蛋白数据库（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）（PDBJ）。 BMRB与RCSB合作开发的ADIT-NMR沉积系统负责在过去一年中收购超过95％的新内容。 BMRB与软件工具开发人员合作，以从NMR频谱数据中提取信息并验证此信息。要求的资金将使BMRB（1）能够以电子方式验证，重新格式化，归档和分发新的数据，（2）与生物分子NMR数据的用户和创建者保持生产性对话，（3）维护和加强BMRB在WWPDB中的作用，以与Databank相关的链接，以便在wwpdb中与该链接相关，并在链接中进行了专业化，以便该链接在wwpdb中，该链接是有用的，该链接是有用的，该链接是有用的（4），该信息是有用的（4），以实现有用的信息（4） 与使用生物分子NMR数据的新软件和算法的开发人员。