6R5F
Crystal structure of RIP1 kinase in complex with DHP77
Summary for 6R5F
Entry DOI | 10.2210/pdb6r5f/pdb |
Descriptor | Receptor-interacting serine/threonine-protein kinase 1, [(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone (2 entities in total) |
Functional Keywords | inhibitor, complex, transferase |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 4 |
Total formula weight | 139897.12 |
Authors | Thorpe, J.H.,Campobasso, N.,Harris, P.A. (deposition date: 2019-03-25, release date: 2019-05-01, Last modification date: 2024-01-24) |
Primary citation | Harris, P.A.,Faucher, N.,George, N.,Eidam, P.M.,King, B.W.,White, G.V.,Anderson, N.A.,Bandyopadhyay, D.,Beal, A.M.,Beneton, V.,Berger, S.B.,Campobasso, N.,Campos, S.,Capriotti, C.A.,Cox, J.A.,Daugan, A.,Donche, F.,Fouchet, M.H.,Finger, J.N.,Geddes, B.,Gough, P.J.,Grondin, P.,Hoffman, B.L.,Hoffman, S.J.,Hutchinson, S.E.,Jeong, J.U.,Jigorel, E.,Lamoureux, P.,Leister, L.K.,Lich, J.D.,Mahajan, M.K.,Meslamani, J.,Mosley, J.E.,Nagilla, R.,Nassau, P.M.,Ng, S.L.,Ouellette, M.T.,Pasikanti, K.K.,Potvain, F.,Reilly, M.A.,Rivera, E.J.,Sautet, S.,Schaeffer, M.C.,Sehon, C.A.,Sun, H.,Thorpe, J.H.,Totoritis, R.D.,Ward, P.,Wellaway, N.,Wisnoski, D.D.,Woolven, J.M.,Bertin, J.,Marquis, R.W. Discovery and Lead-Optimization of 4,5-Dihydropyrazoles as Mono-Kinase Selective, Orally Bioavailable and Efficacious Inhibitors of Receptor Interacting Protein 1 (RIP1) Kinase. J.Med.Chem., 62:5096-5110, 2019 Cited by PubMed: 31013427DOI: 10.1021/acs.jmedchem.9b00318 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (3.25 Å) |
Structure validation
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