دورية أكاديمية
أعرض في EDS

GPCRdb in 2023: state-specific structure models using AlphaFold2 and new ligand resources.

التفاصيل البيبلوغرافية
العنوان: GPCRdb in 2023: state-specific structure models using AlphaFold2 and new ligand resources.
المؤلفون: Pándy-Szekeres G; Department of Drug Design and Pharmacology, University of Copenhagen, Universitetsparken 2, 2100 Copenhagen, Denmark.; Medicinal Chemistry Research Group, Research Center for Natural Sciences, Budapest H-1117, Hungary., Caroli J; Department of Drug Design and Pharmacology, University of Copenhagen, Universitetsparken 2, 2100 Copenhagen, Denmark., Mamyrbekov A; Department of Drug Design and Pharmacology, University of Copenhagen, Universitetsparken 2, 2100 Copenhagen, Denmark., Kermani AA; Department of Structural Biology, St. Jude Children's Research Hospital, Memphis, TN 38105, USA., Keserű GM; Medicinal Chemistry Research Group, Research Center for Natural Sciences, Budapest H-1117, Hungary., Kooistra AJ; Department of Drug Design and Pharmacology, University of Copenhagen, Universitetsparken 2, 2100 Copenhagen, Denmark., Gloriam DE; Department of Drug Design and Pharmacology, University of Copenhagen, Universitetsparken 2, 2100 Copenhagen, Denmark.
المصدر: Nucleic acids research [Nucleic Acids Res] 2023 Jan 06; Vol. 51 (D1), pp. D395-D402.
نوع المنشور: Journal Article; Research Support, Non-U.S. Gov't
اللغة: English
بيانات الدورية: Publisher: Oxford University Press Country of Publication: England NLM ID: 0411011 Publication Model: Print Cited Medium: Internet ISSN: 1362-4962 (Electronic) Linking ISSN: 03051048 NLM ISO Abbreviation: Nucleic Acids Res Subsets: MEDLINE
أسماء مطبوعة: Publication: 1992- : Oxford : Oxford University Press
Original Publication: London, Information Retrieval ltd.
مواضيع طبية MeSH: Receptors, G-Protein-Coupled*/chemistry , Databases, Protein*, Humans ; Ligands ; Mutation ; Sequence Alignment ; Signal Transduction ; Protein Conformation
مستخلص: G protein-coupled receptors (GPCRs) are physiologically abundant signaling hubs routing hundreds of extracellular signal substances and drugs into intracellular pathways. The GPCR database, GPCRdb supports >5000 interdisciplinary researchers every month with reference data, analysis, visualization, experiment design and dissemination. Here, we present our fifth major GPCRdb release setting out with an overview of the many resources for receptor sequences, structures, and ligands. This includes recently published additions of class D generic residue numbers, a comparative structure analysis tool to identify functional determinants, trees clustering GPCR structures by 3D conformation, and mutations stabilizing inactive/active states. We provide new state-specific structure models of all human non-olfactory GPCRs built using AlphaFold2-MultiState. We also provide a new resource of endogenous ligands along with a larger number of surrogate ligands with bioactivity, vendor, and physiochemical descriptor data. The one-stop-shop ligand resources integrate ligands/data from the ChEMBL, Guide to Pharmacology, PDSP Ki and PubChem database. The GPCRdb is available at https://gpcrdb.org.
(© The Author(s) 2022. Published by Oxford University Press on behalf of Nucleic Acids Research.)
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المشرفين على المادة: 0 (Ligands)
0 (Receptors, G-Protein-Coupled)
تواريخ الأحداث: Date Created: 20221117 Date Completed: 20230118 Latest Revision: 20230128
رمز التحديث: 20230128
مُعرف محوري في PubMed: PMC9825476
DOI: 10.1093/nar/gkac1013
PMID: 36395823
قاعدة البيانات: MEDLINE
الوصف
تدمد:1362-4962
DOI:10.1093/nar/gkac1013