3GTA

Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic

3GTA の概要

• エントリーDOI: 10.2210/pdb3gta/pdb
• 関連するPDBエントリー: 1TW6 2I3H 2I3I 3F7G 3F7H 3F7I
• 分子名称: Baculoviral IAP repeat-containing 7, ZINC ION, N-{(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl}-N~2~-methyl-L-alaninamide, ... (7 entities in total)
• 機能のキーワード: zinc binding, peptide complex, apoptosis inhibition, peptidomimetic, small molecule, drug design, apoptosis, metal-binding
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 31435.64

構造登録者

Franklin, M.C.,Fairbrother, W.J.,Cohen, F. (登録日: 2009-03-27, 公開日: 2010-03-09, 最終更新日: 2024-04-03)

主引用文献

Cohen, F.,Koehler, M.F.,Bergeron, P.,Elliott, L.O.,Flygare, J.A.,Franklin, M.C.,Gazzard, L.,Keteltas, S.F.,Lau, K.,Ly, C.Q.,Tsui, V.,Fairbrother, W.J.
Antagonists of inhibitor of apoptosis proteins based on thiazole amide isosteres.
Bioorg.Med.Chem.Lett., 20:2229-2233, 2010

PubMed Abstract: A series of IAP antagonists based on thiazole or benzothiazole amide isosteres was designed and synthesized. These compounds were tested for binding to the XIAP-BIR3 and ML-IAP BIR using a fluorescence polarization assay. The most potent of these compounds, 19a and 33b, were found to have K(i)'s of 20-30 nM against ML-IAP and 50-60 nM against XIAP-BIR3.

PubMed: 20189383
DOI: 10.1016/j.bmcl.2010.02.021

実験手法

X-RAY DIFFRACTION (1.7 Å)