7JOV

CRYSTAL STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE 2 (ROCK2) IN COMPLEX WITH A PHENYLPYRAZOLE AMIDE INHIBITOR

Summary for 7JOV

Entry DOI	10.2210/pdb7jov/pdb
Descriptor	Rho-associated protein kinase 2, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide, ... (5 entities in total)
Functional Keywords	rock1, kinase, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	8
Total formula weight	366400.97
Authors	Muckelbauer, J.K. (deposition date: 2020-08-07, release date: 2020-09-02, Last modification date: 2024-03-06)
Primary citation	Hu, Z.,Wang, C.,Glunz, P.W.,Li, J.,Cheadle, N.L.,Chen, A.Y.,Chen, X.Q.,Myers, J.E.,Guarino, V.R.,Rose, A.,Sack, J.S.,Sitkoff, D.,Taylor, D.S.,Xu, S.,Yan, C.,Zhang, H.,Zhang, L.,Hennan, J.,Adam, L.P.,Wexler, R.R.,Quan, M.L. Discovery of a phenylpyrazole amide ROCK inhibitor as a tool molecule for in vivo studies. Bioorg.Med.Chem.Lett., 30:127495-127495, 2020 Cited by PubMed: 32798651 DOI: 10.1016/j.bmcl.2020.127495 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.586 Å)

Structure validation