6ED6

Crystal structure of Rock2 with a pyridinylbenzamide based inhibitor

Summary for 6ED6

• Entry DOI: 10.2210/pdb6ed6/pdb
• Related: 6E99 6E9L 6E9W
• Descriptor: Rho-associated protein kinase 2, N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide (3 entities in total)
• Functional Keywords: rock 2, kinase, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 96811.67

Authors

Judge, R.A.,Hobson, A.D. (deposition date: 2018-08-08, release date: 2018-11-14, Last modification date: 2024-03-13)

• Primary citation: Hobson, A.D.,Judge, R.A.,Aguirre, A.L.,Brown, B.S.,Cui, Y.,Ding, P.,Dominguez, E.,DiGiammarino, E.,Egan, D.A.,Freiberg, G.M.,Gopalakrishnan, S.M.,Harris, C.M.,Honore, M.P.,Kage, K.L.,Kapecki, N.J.,Ling, C.,Ma, J.,Mack, H.,Mamo, M.,Maurus, S.,McRae, B.,Moore, N.S.,Mueller, B.K.,Mueller, R.,Namovic, M.T.,Patel, K.,Pratt, S.D.,Putman, C.B.,Queeney, K.L.,Sarris, K.K.,Schaffter, L.M.,Stoll, V.S.,Vasudevan, A.,Wang, L.,Wang, L.,Wirthl, W.,Yach, K.; Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.; J. Med. Chem., 61:11074-11100, 2018; PubMed: 30384606; DOI: 10.1021/acs.jmedchem.8b01098

Experimental method

X-RAY DIFFRACTION (2.86 Å)