PDBe Unveils New Streamlined FTP Structure and Enhanced Ligand Data Files

DA
David Armstrong
Wed, Jan 31, 2024 12:42 PM

Dear pdb-l,

We're excited to announce significant improvements to ligand data access
and organisation within the PDBe FTP area. These updates aim to empower
your research by simplifying data retrieval and providing deeper
insights into protein-ligand interactions.

Key Enhancements:

  • Comprehensive Ligand Interaction Data: Two new data files,
    Interacting_chains_with_ligand_functions.tsv and
    pdb_bound_molecules.tsv, enable large-scale analyses of ligand
    interactions across the entire PDB archive including functional
    categorisation such as drug-like, reactant-like or cofactor-like.
  • Streamlined FTP Directory Structure: The revamped FTP area features
    dedicated folders for Chemical Component Definitions (CCDs),
    Peptide-like Reference Definitions (PRDs), Covalently Linked
    Components (CLCs), and additional data files, facilitating intuitive
    data navigation.

Benefits for You:

  • Perform large-scale ligand interaction analyses across the entire
    PDB using complete ligand representations.
  • Quick access to all the ligands bound to a specific protein or
    identifying all the proteins binding to a specific ligand
  • Gain deeper insights into protein function through ligand
    interaction and classification.
  • Easily access and navigate ligand data with clear file organisation
    and unique identifiers.

We believe these improvements will enhance ligand data analysis through
streamlined data access and additional functional insights.

For more information, visit the PDBe news item at:
https://www.ebi.ac.uk/pdbe/news/improved-access-ligand-data-and-annotations-pdbe-ftp

Or visit the PDBe FTP area directly:
https://ftp.ebi.ac.uk/pub/databases/msd/pdbechem_v2/

Should you have any questions or require further assistance, please
don't hesitate to contact us.

Sincerely,
David Armstrong

The PDBe Team

--
David Armstrong
Outreach and Training Lead
PDBe
European Bioinformatics Institute (EMBL-EBI)
European Molecular Biology Laboratory
Wellcome Trust Genome Campus
Hinxton
Cambridge CB10 1SD UK

Dear pdb-l, We're excited to announce significant improvements to ligand data access and organisation within the PDBe FTP area. These updates aim to empower your research by simplifying data retrieval and providing deeper insights into protein-ligand interactions. Key Enhancements: * Comprehensive Ligand Interaction Data: Two new data files, Interacting_chains_with_ligand_functions.tsv and pdb_bound_molecules.tsv, enable large-scale analyses of ligand interactions across the entire PDB archive including functional categorisation such as drug-like, reactant-like or cofactor-like. * Streamlined FTP Directory Structure: The revamped FTP area features dedicated folders for Chemical Component Definitions (CCDs), Peptide-like Reference Definitions (PRDs), Covalently Linked Components (CLCs), and additional data files, facilitating intuitive data navigation. Benefits for You: * Perform large-scale ligand interaction analyses across the entire PDB using complete ligand representations. * Quick access to all the ligands bound to a specific protein or identifying all the proteins binding to a specific ligand * Gain deeper insights into protein function through ligand interaction and classification. * Easily access and navigate ligand data with clear file organisation and unique identifiers. We believe these improvements will enhance ligand data analysis through streamlined data access and additional functional insights. For more information, visit the PDBe news item at: https://www.ebi.ac.uk/pdbe/news/improved-access-ligand-data-and-annotations-pdbe-ftp Or visit the PDBe FTP area directly: https://ftp.ebi.ac.uk/pub/databases/msd/pdbechem_v2/ Should you have any questions or require further assistance, please don't hesitate to contact us. Sincerely, David Armstrong The PDBe Team -- David Armstrong Outreach and Training Lead PDBe European Bioinformatics Institute (EMBL-EBI) European Molecular Biology Laboratory Wellcome Trust Genome Campus Hinxton Cambridge CB10 1SD UK