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3LBJ

Structure of human MDMX protein in complex with a small molecule inhibitor

3LBJ の概要
エントリーDOI10.2210/pdb3lbj/pdb
関連するPDBエントリー3DAB 3LBK 3LBL
分子名称Protein Mdm4, N-[(3S)-1-({6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1H-imidazol-5-yl]-1H-indol-2-yl}carbonyl)pyrrolidin-3-yl]-N,N',N'-trimethylpropane-1,3-diamine, SULFATE ION, ... (4 entities in total)
機能のキーワードmdmx, mdm2, p53, inhibitor, alternative splicing, nucleus, polymorphism, zinc-finger, cell cycle
由来する生物種Homo sapiens (human)
タンパク質・核酸の鎖数1
化学式量合計11647.40
構造登録者
Popowicz, G.M.,Czarna, A.,Wolf, S.,Holak, T.A. (登録日: 2010-01-08, 公開日: 2010-03-16, 最終更新日: 2023-11-01)
主引用文献Popowicz, G.M.,Czarna, A.,Wolf, S.,Wang, K.,Wang, W.,Domling, A.,Holak, T.A.
Structures of low molecular weight inhibitors bound to MDMX and MDM2 reveal new approaches for p53-MDMX/MDM2 antagonist drug discovery
Cell Cycle, 9:1104-1111, 2010
Cited by
PubMed Abstract: Intensive anticancer drug discovery efforts have been made to develop small molecule inhibitors of the p53-MDM2 and p53-MDMX interactions. We present here the structures of the most potent inhibitors bound to MDM2 and MDMX that are based on the new imidazo-indole scaffold. In addition, the structure of the recently reported spiro-oxindole inhibitor bound to MDM2 is described. The structures indicate how the substituents of a small molecule that bind to the three subpockets of the MDM2/X-p53 interaction should be optimized for effective binding to MDM2 and/or MDMX. While the spiro-oxindole inhibitor triggers significant ligand-induced changes in MDM2, the imidazo-indoles share similar binding modes for MDMX and MDM2, but cause only minimal induced-fit changes in the structures of both proteins. Our study includes the first structure of the complex between MDMX and a small molecule and should aid in developing efficient scaffolds for binding to MDMX and/or MDM2.
PubMed: 20237429
DOI: 10.4161/cc.9.6.10956
主引用文献が同じPDBエントリー
実験手法
X-RAY DIFFRACTION (1.5 Å)
構造検証レポート
Validation report summary of 3lbj
検証レポート(詳細版)ダウンロードをダウンロード

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件を2025-05-28に公開中

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