Enhanced Ligand Descriptions: Includes detailed molecular
information, visualisations (2D/3D), physicochemical properties, and
substructures like Murcko scaffolds and ligand fragments.

Bound Structures Overview: Provides aggregated protein and
individual PDB data, detailing protein name, source organism, ligand
functional roles, and more.

Interaction Statistics: aggregates atom-level interaction data
between ligands and proteins in PDB, visualised through heatmaps and
2D ligand diagrams to identify hotspots and interaction patterns.

Related Ligands: Highlights structurally similar ligands grouped by
same scaffold, ≥60% similarity, stereoisomers, shown in an image
gallery with further details.

Cross-links to Other Databases: Integrates with external resources
like ChEMBL, PubChem, KEGG, DrugBank, and others for seamless
exploration.

Check out the updated Ligand Page for Imatinib (CCD ID: STI):
pdbe.org/chem/sti

Access the user tutorial for a step-by-step guide: PDBe Ligand Pages
Tutorial
<https://github.com/PDBeurope/pdbe-notebooks/blob/main/pdbe_ligands_tutorials/PDBe_PDBe-KB_ligands_webpages_tutorials.pdf>

** *Dear all,* * We’re excited to announce the release of PDBe’s new Ligand Pages, a significant upgrade to the PDBeChem service! This revamped platform introduces many new features and offers a more comprehensive and user-friendly way to explore small molecule data in the Protein Data Bank (PDB). Key features of these new Ligand Pages: 1. Enhanced Ligand Descriptions: Includes detailed molecular information, visualisations (2D/3D), physicochemical properties, and substructures like Murcko scaffolds and ligand fragments. 2. Bound Structures Overview: Provides aggregated protein and individual PDB data, detailing protein name, source organism, ligand functional roles, and more. 3. Interaction Statistics: aggregates atom-level interaction data between ligands and proteins in PDB, visualised through heatmaps and 2D ligand diagrams to identify hotspots and interaction patterns. 4. Related Ligands: Highlights structurally similar ligands grouped by same scaffold, ≥60% similarity, stereoisomers, shown in an image gallery with further details. 5. Cross-links to Other Databases: Integrates with external resources like ChEMBL, PubChem, KEGG, DrugBank, and others for seamless exploration. These updates provide a unified view of ligand data in PDB, enabling researchers to investigate ligand interactions and their biological significance more effectively. Explore these new ligand pages * Check out the updated Ligand Page for Imatinib (CCD ID: STI): pdbe.org/chem/sti * Access the user tutorial for a step-by-step guide: PDBe Ligand Pages Tutorial <https://github.com/PDBeurope/pdbe-notebooks/blob/main/pdbe_ligands_tutorials/PDBe_PDBe-KB_ligands_webpages_tutorials.pdf> For full details on this new release, read the full announcementhere:https://www.ebi.ac.uk/pdbe/news/pdbe-team-introduces-novel-ligand-pages-revamped-pdbechem-service <https://www.ebi.ac.uk/pdbe/news/pdbe-team-introduces-novel-ligand-pages-revamped-pdbechem-service>.  If you have any questions or need assistance, please feel free to reach out to us at pdbehelp@ebi.ac.uk <mailto:pdbehelp@ebi.ac.uk>. We hope you’ll find this new resource useful in your research! Kind regards, Deborah Harrus, on behalf of the PDBe team * -- ------------------------------------------------------------------- Deborah Harrus, Ph.D. PDBe Archive Project Leader, Biocuration Lead PDBe - Protein Data Bank in Europe European Bioinformatics Institute (EMBL-EBI) European Molecular Biology Laboratory Wellcome Trust Genome Campus Hinxton Cambridge CB10 1SD UK http://www.PDBe.org -------------------------------------------------------------------