7S26
ROCK1 IN COMPLEX WITH LIGAND G5018
Summary for 7S26
Entry DOI | 10.2210/pdb7s26/pdb |
Descriptor | Rho-associated protein kinase 1, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 2-[methyl(phenyl)amino]-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydropyridin-1(2H)-yl]ethan-1-one, ... (4 entities in total) |
Functional Keywords | rho kinase, proteros biostructures gmbh, transferase |
Biological source | Homo sapiens (human) |
Total number of polymer chains | 4 |
Total formula weight | 185552.20 |
Authors | Ganichkin, O.,Harris, S.F.,Steinbacher, S. (deposition date: 2021-09-03, release date: 2022-10-05, Last modification date: 2024-05-22) |
Primary citation | Beroza, P.,Crawford, J.J.,Ganichkin, O.,Gendelev, L.,Harris, S.F.,Klein, R.,Miu, A.,Steinbacher, S.,Klingler, F.M.,Lemmen, C. Chemical space docking enables large-scale structure-based virtual screening to discover ROCK1 kinase inhibitors. Nat Commun, 13:6447-6447, 2022 Cited by PubMed: 36307407DOI: 10.1038/s41467-022-33981-8 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.744 Å) |
Structure validation
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