4KJV
Crystal structure of XIAP-Bir2 with a bound spirocyclic benzoxazepinone inhibitor.
Summary for 4KJV
Entry DOI | 10.2210/pdb4kjv/pdb |
Related | 4J3Y 4J44 4J45 4J46 4J47 4J48 |
Descriptor | E3 ubiquitin-protein ligase XIAP, ZINC ION, 6-methoxy-5-({(3S)-3-[(N-methyl-L-alanyl)amino]-4-oxo-2',3,3',4,5',6'-hexahydro-5H-spiro[1,5-benzoxazepine-2,4'-pyran]-5-yl}methyl)naphthalene-2-carboxylic acid, ... (4 entities in total) |
Functional Keywords | xiap inhibitors, bir2, benzoxazepinone, oncology, apoptosis-apoptosis inhibitor complex, apoptosis/apoptosis inhibitor |
Biological source | Homo sapiens (human) |
Cellular location | Cytoplasm: P98170 |
Total number of polymer chains | 2 |
Total formula weight | 20550.68 |
Authors | Lukacs, C.M.,Janson, C.A. (deposition date: 2013-05-03, release date: 2013-11-27, Last modification date: 2023-09-20) |
Primary citation | Kester, R.F.,Donnell, A.F.,Lou, Y.,Remiszewski, S.W.,Lombardo, L.J.,Chen, S.,Le, N.T.,Lo, J.,Moliterni, J.A.,Han, X.,Hogg, J.H.,Liang, W.,Michoud, C.,Rupert, K.C.,Mischke, S.,Le, K.,Weisel, M.,Janson, C.A.,Lukacs, C.M.,Fretland, A.J.,Hong, K.,Polonskaia, A.,Gao, L.,Li, S.,Solis, D.S.,Aguilar, D.,Tardell, C.,Dvorozniak, M.,Tannu, S.,Lee, E.C.,Schutt, A.D.,Goggin, B. Optimization of Benzodiazepinones as Selective Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (XIAP) Second Baculovirus IAP Repeat (BIR2) Domain. J.Med.Chem., 56:7788-7803, 2013 Cited by PubMed: 24093940DOI: 10.1021/jm400732v PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.7 Å) |
Structure validation
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