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

基本信息

批准号：
10220987
负责人：
JEFFREY C HOCH
金额：
$ 84.78万
依托单位：
UNIVERSITY OF CONNECTICUT SCH OF MED/DNT
依托单位国家：
美国
项目类别：
财政年份：
2014
资助国家：
美国
起止时间：
2014-05-15 至 2023-03-31
项目状态：
已结题

来源：
https://reporter.nih.gov/project-details/10220987
关键词：
Advisory Committees Algorithmic Software Architecture Archives Area Benchmarking Binding Bioinformatics Biological Biological Markers Biomedical Research Biomolecular Nuclear Magnetic Resonance Charge Chemicals China Collection Communities Country Data Data Reporting Data Set Databases Deposition Development Disease Educational workshop Ensure Europe Frequencies Funding Future Harvest Hybrids Hydrogen Infrastructure Japan Journals Knowledge Ligands Link Literature Magnetic Resonance Magnetic Resonance Spectroscopy Medical Membrane Proteins Metabolic Pathway Metadata Methods Modeling Molecular Molecular Conformation Molecular Structure NMR Spectroscopy Names Natural Products Nuclear Magnetic Resonance Nucleic Acids Pharmaceutical Preparations Property Protein Dynamics Proteins RNA Relaxation Reproducibility Research Research Activity Research Personnel Research Support Resources Retrieval Role Services Software Tools Structure System Systems Biology Systems Development Technology Therapeutic Time Validation Work archive data archived data biological systems biophysical techniques chemical property collaboratory data archive data dictionary data exchange data format data modeling data repository data standards data submission data tools database structure diverse data experimental study flexibility improved insight interoperability meetings member metabolomics novel nucleic acid structure protein data bank protein structure response small molecule software development solid state nuclear magnetic resonance spectroscopic survey symposium three dimensional structure tool web site

项目摘要

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 and conformations 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 (time-domain data) acquired under defined conditions and derived results, such as chemical shifts, peak intensities, scalar couplings, dipolar couplings, relaxation rates, and cross relaxations. These parameters provide information on molecular properties such as conformation, dynamics, ligand interactions, pKa values, and hydrogen exchange rates. 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). In its role in the wwPDB BMRB sets standards for NMR data types and develops software for data deposition and validation. The funds requested will enable BMRB (1) to expand the diversity and level of coverage of biomolecular NMR data in response to community needs, (2) to verify, reformat, archive, and distribute new data submitted electronically, (3) to maintain a productive dialogue with users and creators of biomolecular NMR data, (4) to maintain and strengthen BMRB's role in the wwPDB, (5) to collaborate with databanks specializing in related information so that useful links are created, and (6) 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和构象的基础酸并提供有关其动力学，化学特性和分子相互作用的重要见解。 BMRB 维护开放式体系结构和定义且灵活的数据模型，这使得可以迅速响应变化数据交换标准和NMR技术的稳定进步（更多种类繁多存档的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（时间域数据）在定义的条件和衍生结果（例如化学移位，峰值）下获得的（峰值）强度，标量耦合，偶极耦合，松弛率和交叉放松。这些参数提供有关分子特性的信息，例如构象，动力学，配体相互作用，PKA值和氢汇率。 BMRB将这些NMR数据集成到统一的全球大分子结构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。作为万维蛋白数据库（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）。在WWPDB BMRB中的角色中对于NMR数据类型，并开发用于数据沉积和验证的软件。要求的资金将启用 BMRB（1）扩大了生物分子NMR数据的多样性和水平，以响应社区需求，（2）以电子方式验证，重新格式化，存档和分发新数据，（3）维护与生物分子NMR数据的用户和创建者的生产性对话，（4）维护和加强BMRB 在WWPDB中的角色，（5）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，（6）与使用生物分子NMR的新软件和算法的开发人员进行交互数据。