5M6M

Small Molecule inhibitors of IAP

5M6M の概要

• エントリーDOI: 10.2210/pdb5m6m/pdb
• 分子名称: E3 ubiquitin-protein ligase XIAP, ZINC ION, SODIUM ION, ... (5 entities in total)
• 機能のキーワード: xiap, apoptosis, metal-binding, inhibitor, xiap#1
• 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: 1
• 化学式量合計: 15140.33

構造登録者

Williams, P.A. (登録日: 2016-10-25, 公開日: 2017-05-24, 最終更新日: 2024-05-08)

主引用文献

Tamanini, E.,Buck, I.M.,Chessari, G.,Chiarparin, E.,Day, J.E.H.,Frederickson, M.,Griffiths-Jones, C.M.,Hearn, K.,Heightman, T.D.,Iqbal, A.,Johnson, C.N.,Lewis, E.J.,Martins, V.,Peakman, T.,Reader, M.,Rich, S.J.,Ward, G.A.,Williams, P.A.,Wilsher, N.E.
Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X-Linked Inhibitor of Apoptosis Protein (XIAP).
J. Med. Chem., 60:4611-4625, 2017

PubMed Abstract: XIAP and cIAP1 are members of the inhibitor of apoptosis protein (IAP) family and are key regulators of anti-apoptotic and pro-survival signaling pathways. Overexpression of IAPs occurs in various cancers and has been associated with tumor progression and resistance to treatment. Structure-based drug design (SBDD) guided by structural information from X-ray crystallography, computational studies, and NMR solution conformational analysis was successfully applied to a fragment-derived lead resulting in AT-IAP, a potent, orally bioavailable, dual antagonist of XIAP and cIAP1 and a structurally novel chemical probe for IAP biology.

PubMed: 28492317
DOI: 10.1021/acs.jmedchem.6b01877

実験手法

X-RAY DIFFRACTION (2.37 Å)