4KJV

Crystal structure of XIAP-Bir2 with a bound spirocyclic benzoxazepinone inhibitor.

4KJV の概要

• エントリーDOI: 10.2210/pdb4kjv/pdb
• 関連するPDBエントリー: 4J3Y 4J44 4J45 4J46 4J47 4J48
• 分子名称: 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)
• 機能のキーワード: xiap inhibitors, bir2, benzoxazepinone, oncology, apoptosis-apoptosis inhibitor complex, apoptosis/apoptosis inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Cytoplasm: P98170
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 20550.68

構造登録者

Lukacs, C.M.,Janson, C.A. (登録日: 2013-05-03, 公開日: 2013-11-27, 最終更新日: 2023-09-20)

• 主引用文献: 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

実験手法

X-RAY DIFFRACTION (1.7 Å)