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: 36307407 DOI: 10.1038/s41467-022-33981-8 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.744 Å)

Structure validation