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 Cited by PubMed: 26854747DOI: 10.1021/acs.jmedchem.5b01898 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.23 Å) |
Structure validation
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