PDB MANAGEMENT BY THE RESEARCH COLLABORATORY FOR STRUCTURAL BIOINFORMATICS

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Administrative Supplement Request in Response to PA-20-272 Parent Award Identifier: 1R01GM133198 Parent Award Title: PDB Management by the Research Collaboratory for Structural Bioinformatics Parent Award Principal Investigator: Stephen K. Burley, M.D., D.Phil. Supplement Request: Scaling of RCSB PDB Backend and Frontend Services for RCSB.org Project Summary/Abstract: In its role as a core NIH data repository, the Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB PDB) is committed to the best practices articulated by the FAIR and TRUST principles. Established in 1971 as the first open-access digital data repository in biology, the PDB has been a leading exemplar of FAIR and a pioneer in the open access movement. RCSB PDB was an early adopter in securing CoreTrustSeal certification and advocating publicly for the TRUST principles. In this supplement application, funds are requested to support scaling of RCSB PDB research-focused RCSB.org web portal Backend and Frontend Services by two orders of magnitude for delivery of ~200 million Computed Structure Models (CSMs) from AlphaFoldDB and the ModelArchive alongside all of the experimentally-determined structures stored in the PDB. Parallel delivery of CSMs with PDB data will enable many millions of RCSB.org users worldwide to analyze, visualize, and explore predicted 3D structural models for nearly every protein represented within UniProt (fully integrated with ~200,000 PDB structures).