GPCRdb in 2025: adding odorant receptors, data mapper, structure similarity search and models of physiological ligand complexes

Luis P Taracena Herrera, Søren N Andreassen, Jimmy Caroli, Ismael Rodríguez-Espigares, Ali A Kermani, György M Keserű, Albert J Kooistra, Gáspár Pándy-Szekeres*, David E Gloriam*

*Corresponding author for this work

Research output: Contribution to journalJournal articleResearchpeer-review

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Abstract

G protein-coupled receptors (GPCRs) are membrane-spanning transducers mediating the actions of numerous physiological ligands and drugs. The GPCR database GPCRdb supports a large global research community with reference data, analysis, visualization, experiment design and dissemination. Here, we describe our sixth major GPCRdb release starting with an overview of all resources for receptors and ligands. As a major addition, all ∼400 human odorant receptors and their orthologs in major model organisms can now be studied across the various data and tool resources. For the first time, a Data mapper page enables users to map their own data onto receptors visualized as a GPCRome wheel, tree, clusters, list or heatmap. The structure model data have been expanded with models of physiological ligand complexes and updated with new state-specific structure models of all human GPCRs (built using AlphaFold, RoseTTAFold and AlphaFold-Multistate). Furthermore, a structure or model (pdb file) can now be queried against GPCRdb's entire structure/model collection through a Structuresimilarity search page implementing FoldSeek. Finally, for ligands, new search tools can query names, database identifiers, similarities or substructures against integrated entries from the ChEMBL, Guide to Pharmacology, PDSP Ki, PubChem, DrugCentral and DrugBank databases. GPCRdb is available at https://gpcrdb.org.

Original languageEnglish
JournalNucleic Acids Research
Volume53
Issue numberD1
Pages (from-to)D425–D435
ISSN0305-1048
DOIs
Publication statusPublished - 2025

Bibliographical note

© The Author(s) 2024. Published by Oxford University Press on behalf of Nucleic Acids Research.

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