3MJ2

X-ray crystal structure of ITK complexed with inhibitor BMS-509744

3MJ2 の概要

• エントリーDOI: 10.2210/pdb3mj2/pdb
• 関連するPDBエントリー: 3MIY 3MJ1
• 分子名称: Tyrosine-protein kinase ITK/TSK, N-[5-({5-[(4-acetylpiperazin-1-yl)carbonyl]-4-methoxy-2-methylphenyl}sulfanyl)-1,3-thiazol-2-yl]-4-({[(1S)-1,2,2-trimethylpropyl]amino}methyl)benzamide (3 entities in total)
• 機能のキーワード: helix c-out, substrate blocking activation loop conformation, transferase
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Cell membrane (By similarity): Q08881
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 30740.25

構造登録者

Kuglstatter, A.,Villasenor, A.G. (登録日: 2010-04-12, 公開日: 2010-06-30, 最終更新日: 2023-09-06)

• 主引用文献: Kutach, A.K.,Villasenor, A.G.,Lam, D.,Belunis, C.,Janson, C.,Lok, S.,Hong, L.N.,Liu, C.M.,Deval, J.,Novak, T.J.,Barnett, J.W.,Chu, W.,Shaw, D.,Kuglstatter, A.; Crystal structures of IL-2-inducible T cell kinase complexed with inhibitors: insights into rational drug design and activity regulation.; Chem.Biol.Drug Des., 76:154-163, 2010; PubMed: 20545945; DOI: 10.1111/j.1747-0285.2010.00993.x

実験手法

X-RAY DIFFRACTION (1.9 Å)