5HX6

Crystal structure of RIP1 kinase with a benzo[b][1,4]oxazepin-4-one

Summary for 5HX6

• Entry DOI: 10.2210/pdb5hx6/pdb
• Descriptor: Receptor-interacting serine/threonine-protein kinase 1, 5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide (3 entities in total)
• Functional Keywords: kinase, inhibitor complex, non-hinge binding, 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: 69948.57

Authors

Campobasso, N.,Ward, P. (deposition date: 2016-01-29, release date: 2016-03-02, Last modification date: 2024-03-06)

• Primary citation: Harris, P.A.,King, B.W.,Bandyopadhyay, D.,Berger, S.B.,Campobasso, N.,Capriotti, C.A.,Cox, J.A.,Dare, L.,Dong, X.,Finger, J.N.,Grady, L.C.,Hoffman, S.J.,Jeong, J.U.,Kang, J.,Kasparcova, V.,Lakdawala, A.S.,Lehr, R.,McNulty, D.E.,Nagilla, R.,Ouellette, M.T.,Pao, C.S.,Rendina, A.R.,Schaeffer, M.C.,Summerfield, J.D.,Swift, B.A.,Totoritis, R.D.,Ward, P.,Zhang, A.,Zhang, D.,Marquis, R.W.,Bertin, J.,Gough, P.J.; DNA-Encoded Library Screening Identifies Benzo[b][1,4]oxazepin-4-ones as Highly Potent and Monoselective Receptor Interacting Protein 1 Kinase Inhibitors.; J.Med.Chem., 59:2163-2178, 2016; PubMed: 26854747; DOI: 10.1021/acs.jmedchem.5b01898

Experimental method

X-RAY DIFFRACTION (2.23 Å)