PDB MANAGEMENT BY THE RESEARCH COLLABORATORY FOR STRUCTURAL BIOINFORMATICS

结构生物信息学研究合作实验室的 PDB 管理

• 批准号: 9768060
• 负责人: STEPHEN K BURLEY
• 金额: $ 344.2万
• 依托单位: RUTGERS, THE STATE UNIV OF N.J.
• 依托单位国家: 美国
• 财政年份: 2019
• 资助国家: 美国
• 起止时间: 2019-08-01 至 2024-07-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/9768060
• 关键词: 3-Dimensional; Address; Affect; Animals; Archives; Area; Automobile Driving; Award; Biochemical Pathway; Biocompatible Materials; Bioinformatics; Biological; Biological Process; Biological Products; Biology; Biomedical Research; Biotechnology; Cell physiology; Cells; Climacteric; Cloud Computing; Communicable Diseases; Communities; Cryo-electron tomography; Crystallography; Data; Deposition; Development; Dimensions; Disease; Education; Education and Outreach; Electron Microscopy Facility; Ensure; FAIR principles; Failure; Food Energy; Fostering; Growth; Health; Human Resources; Hybrids; Investments; Knowledge; Legal patent; Life; Macromolecular Complexes; Measurement; Medical Device; Methods; Mission; Molecular Biology; Molecular Evolution; Molecular Machines; Neurosciences; Pharmacologic Substance; Plants; Production; Proteins; Public Domains; Publications; Reproducibility; Research; Research Personnel; Science; Services; Shapes; Software Engineering; Source; Structure; Students; Synchrotrons; Techniques; Therapeutic; Time; United States National Institutes of Health; Universities; Validation; Work; X-Ray Crystallography; applied biomedical research; collaboratory; cost; data resource; data warehouse; drug development; drug discovery; human disease; innovation; macromolecule; member; new therapeutic target; novel therapeutics; off-patent; particle; recruit; research and development; structural biology; three dimensional structure; tool; x-ray free-electron laser

PROJECT SUMMARY The mission of the Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB PDB) is to sustain a unique Findable-Accessible-Interoperable-Reusable living data resource of three-dimensional (3D) biomolecular structure information. PDB structures are the molecules of life. Knowledge of 3D structures (shapes) of biological macromolecules, how they evolved with time, and their functions are essential for understanding critical areas of science, including fundamental biology; health and disease of humans, animals, and plants; food and energy production; and other topics of concern to global prosperity and environmental sustainability. Structure data are equally important for biopharmaceutical and biotechnology companies, driving discovery of new therapeutics, biomaterials, and medical devices. RCSB PDB services span the entire PDB data lifecycle, encompassing Deposition/Biocuration, Archive Management/Access, Data Exploration, and Outreach/Education. RCSB PDB Archive Management/Access services safeguard the single global archive of >144,000 3D structures of biological macromolecules, with an estimated replacement cost of nearly $14 billion. RCSB PDB Deposition/Biocuration and Data Exploration services support >30,000 Data Depositors and >1 million Data Consumers worldwide. More than 620,000 researchers, educators, students, and members of the public use our award winning Outreach/Education Services. During 2019-2023, the RCSB PDB has three Specific Aims. Successful completion of these Specific Aims will entail further investments in cloud computing/storage, considerable software engineering, and modest recruitment of additional personnel to address three overarching challenges that confront the organization. Specific Aim 1: Scale RCSB PDB operational capabilities to meet projected growth in (i) new structures; (ii) average structure size and complexity; (iii) annual data download volume; and (iv) Users and User communities, and diversity thereof. Specific Aim 2: Scale RCSB PDB operational capabilities to meet projected growth in structure data and complexity coming from studies of molecular machines using two rapidly evolving experimental methods (serial femtosecond X-ray crystallography or SFX and 3DEM) that have already eclipsed some of our service capabilities. Specific Aim 3: Implement deposition-validation-biocuration, archiving, and online delivery/tooling for structure data from emerging structure determination methods that combine 3DEM and/or macromolecular crystallography with multiple measurement techniques not currently supported in the PDB. These Integrative/Hybrid Methods structures are in the vanguard of cell/organismal biology research. Continued access to PDB data and RCSB PDB Services will drive publication of innovative research across the biomedical sciences, drug discovery and development, patent applications, and innovations leading to discovery and development of life-changing biopharmaceutical products and formation of new US companies.

项目摘要 结构生物信息学蛋白数据库（RCSB PDB）研究合作的使命是 维持独特的可访问可访问可使用的可使用的可使用的生活数据资源（3D） 生物分子结构信息。 PDB结构是生命的分子。 3D结构的知识 生物大分子的（形状），它们如何随时间发展，其功能对于 了解科学的关键领域，包括基本生物学；人类，动物的健康和疾病， 和植物；食品和能源生产；以及全球繁荣和环境关注的其他主题 可持续性。结构数据对于生物制药和生物技术公司同样重要，驾驶 发现新的治疗剂，生物材料和医疗设备。 RCSB PDB服务涵盖了整个PDB数据 生命周期，涵盖沉积/生物保存，档案管理/访问，数据探索和 外展/教育。 RCSB PDB档案管理/访问服务保护 > 144,000个生物大分子的3D结构，估计替代成本接近140亿美元。 RCSB PDB沉积/生物保化和数据勘探服务支持> 30,000个数据存储者和> 1 全球百万数据消费者。超过62万名研究人员，教育工作者，学生和成员 公众使用我们屡获殊荣的外展/教育服务。 在2019 - 2023年期间，RCSB PDB具有三个具体目标。这些特定目标的成功完成将 在云计算/存储，相当大的软件工程和谦虚方面需要进一步投资 招募其他人员来应对组织面临的三个总体挑战。 特定目标1：量表RCSB PDB操作能力，以满足（i）新结构的预计增长； （ii）平均结构大小和复杂性； （iii）年度数据下载量； （iv）用户和用户 社区及其多样性。特定目的2：比例RCSB PDB操作能力以满足预测 使用两个快速发展的分子机器研究的结构数据和复杂性的增长 实验方法（串行飞秒X射线晶体学或SFX和3DEM）已经黯然失色 我们的一些服务功能。特定目的3：实施沉积 - 验证生物化，归档和 从新兴结构确定方法结合3DEM的在线交付/工具 和/或大分子晶体学具有多种测量技术，目前不支持 PDB。这些综合/混合方法结构在细胞/生物生物学研究的先锋中。 继续访问PDB数据和RCSB PDB服务将推动跨整个创新研究的发布 生物医学科学，药物发现和开发，专利申请和创新导致发现 以及改变生活的生物制药产品和新公司的形成。