5TX5

Rip1 Kinase ( flag 1-294, C34A, C127A, C233A, C240A) with GSK772

Summary for 5TX5

• Entry DOI: 10.2210/pdb5tx5/pdb
• Descriptor: Receptor-interacting serine/threonine-protein kinase 1, 3-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-5-carboxamide (3 entities in total)
• Functional Keywords: kinase domain inhibitor necrosis, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Cytoplasm: Q13546
• Total number of polymer chains: 2
• Total formula weight: 69948.58

Authors

Campobasso, N.,Ward, P.,Thrope, J. (deposition date: 2016-11-15, release date: 2017-07-05, Last modification date: 2024-03-06)

• Primary citation: Harris, P.A.,Berger, S.B.,Jeong, J.U.,Nagilla, R.,Bandyopadhyay, D.,Campobasso, N.,Capriotti, C.A.,Cox, J.A.,Dare, L.,Dong, X.,Eidam, P.M.,Finger, J.N.,Hoffman, S.J.,Kang, J.,Kasparcova, V.,King, B.W.,Lehr, R.,Lan, Y.,Leister, L.K.,Lich, J.D.,MacDonald, T.T.,Miller, N.A.,Ouellette, M.T.,Pao, C.S.,Rahman, A.,Reilly, M.A.,Rendina, A.R.,Rivera, E.J.,Schaeffer, M.C.,Sehon, C.A.,Singhaus, R.R.,Sun, H.H.,Swift, B.A.,Totoritis, R.D.,Vossenkamper, A.,Ward, P.,Wisnoski, D.D.,Zhang, D.,Marquis, R.W.,Gough, P.J.,Bertin, J.; Discovery of a First-in-Class Receptor Interacting Protein 1 (RIP1) Kinase Specific Clinical Candidate (GSK2982772) for the Treatment of Inflammatory Diseases.; J. Med. Chem., 60:1247-1261, 2017; PubMed: 28151659; DOI: 10.1021/acs.jmedchem.6b01751

Experimental method

X-RAY DIFFRACTION (2.56 Å)