6E9W
Crystal structure of Rock1 with a pyridinylbenzamide based inhibitor
Summary for 6E9W
Entry DOI | 10.2210/pdb6e9w/pdb |
Related | 6E99 6E9L |
Descriptor | Rho-associated protein kinase 1, N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide, SULFATE ION, ... (4 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 | 2 |
Total formula weight | 103698.80 |
Authors | Judge, R.A.,Hobson, A.D. (deposition date: 2018-08-01, 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 Cited by PubMed: 30384606DOI: 10.1021/acs.jmedchem.8b01098 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.96 Å) |
Structure validation
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