PDB_Graph_API

PDB_Graph_API provides RESTful programmatic access to macromolecular structural data and associated functional and biophysical annotations from the Protein Data Bank (PDB) and integrated knowledge-graph resources for computational analysis.


Key Features:

  • Extensive Data Access: Exposes over 80 RESTful endpoints to retrieve detailed information from the Protein Data Bank (PDB) and related annotations.
  • Integration with Major Databases: Incorporates updated data and cross-references from UniProt, Pfam, CATH, SCOP and PDBe-KB partner resources.
  • Regular Updates: Data and annotations are distributed via weekly releases to include the latest structural information.

Scientific Applications:

  • Structural Biology Research: Enables retrieval and analysis of macromolecular structural details to support studies of function and molecular interactions.
  • Bioinformatics Analysis: Supports integration of diverse structural and annotation datasets for computational analyses and annotation workflows.
  • Drug Discovery and Development: Provides structural annotations and cross-references useful for rational drug design and target identification.

Methodology:

Implements a RESTful API on top of an integrative graph database architecture using Neo4J, enabling efficient querying and traversal of relationships between interconnected biological entities for retrieval of structural and annotation data.

Topics

Details

License:
Apache-2.0
Cost:
Free of charge
Tool Type:
api
Programming Languages:
Python
Added:
10/15/2021
Last Updated:
11/24/2024

Operations

Publications

Nair S, Váradi M, Nadzirin N, Pravda L, Anyango S, Mir S, Berrisford J, Armstrong D, Gutmanas A, Velankar S. PDBe aggregated API: programmatic access to an integrative knowledge graph of molecular structure data. Bioinformatics. 2021;37(21):3950-3952. doi:10.1093/bioinformatics/btab424. PMID:34081107. PMCID:PMC8570819.

PMID: 34081107
PMCID: PMC8570819
Funding: - Biotechnology and Biological Sciences Research Council: BB/T01959X/1 - FunPDBe: BB/P024351/1 - Wellcome Trust: 104948

Related Tools

pdb
Relation: uses