GPCRdb in 2023: state-specific structure models using AlphaFold2 and new ligand resources
Research output: Contribution to journal › Journal article › Research › peer-review
Standard
GPCRdb in 2023 : state-specific structure models using AlphaFold2 and new ligand resources. / Pándy-Szekeres, Gáspár; Caroli, Jimmy; Mamyrbekov, Alibek; Kermani, Ali A; Keserű, György M; Kooistra, Albert J; Gloriam, David E.
In: Nucleic Acids Research, Vol. 51, No. D1, 2023, p. D395–D402.Research output: Contribution to journal › Journal article › Research › peer-review
Harvard
APA
Vancouver
Author
Bibtex
}
RIS
TY - JOUR
T1 - GPCRdb in 2023
T2 - state-specific structure models using AlphaFold2 and new ligand resources
AU - Pándy-Szekeres, Gáspár
AU - Caroli, Jimmy
AU - Mamyrbekov, Alibek
AU - Kermani, Ali A
AU - Keserű, György M
AU - Kooistra, Albert J
AU - Gloriam, David E
N1 - © The Author(s) 2022. Published by Oxford University Press on behalf of Nucleic Acids Research.
PY - 2023
Y1 - 2023
N2 - 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.
AB - 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.
U2 - 10.1093/nar/gkac1013
DO - 10.1093/nar/gkac1013
M3 - Journal article
C2 - 36395823
VL - 51
SP - D395–D402
JO - Nucleic Acids Research
JF - Nucleic Acids Research
SN - 0305-1048
IS - D1
ER -
ID: 326480689