7S25

ROCK1 IN COMPLEX WITH LIGAND G4998

Summary for 7S25

Entry DOI	10.2210/pdb7s25/pdb
Descriptor	Rho-associated protein kinase 1, CHLORIDE ION, 2-[3-(methoxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide, ... (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	184474.17
Authors	Ganichkin, O.,Harris, S.F.,Steinbacher, S. (deposition date: 2021-09-03, release date: 2022-10-05, Last modification date: 2024-04-03)
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 (2.337 Å)

Structure validation