4KJU

Crystal structure of XIAP-Bir2 with a bound benzodiazepinone inhibitor.

Summary for 4KJU

• Entry DOI: 10.2210/pdb4kju/pdb
• Related: 4J3Y 4J44 4J45 4J46 4J47 4J48
• Descriptor: E3 ubiquitin-protein ligase XIAP, ZINC ION, N-{(3S)-5-(4-aminobenzoyl)-1-[(2-methoxynaphthalen-1-yl)methyl]-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl}-N~2~-methyl-L-alaninamide, ... (4 entities in total)
• Functional Keywords: xiap inhibitors, bir2, benzodiazepinone, oncology, caspase, 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: 20554.72

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; PubMed: 24093940; DOI: 10.1021/jm400732v

Experimental method

X-RAY DIFFRACTION (1.6 Å)