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; PubMed: 31013427; DOI: 10.1021/acs.jmedchem.9b00318

Experimental method

X-RAY DIFFRACTION (3.25 Å)