3MJ1

X-ray crystal structure of ITK complexed with inhibitor RO5191614

3MJ1 の概要

• エントリーDOI: 10.2210/pdb3mj1/pdb
• 関連するPDBエントリー: 3MIY 3MJ2
• 分子名称: Tyrosine-protein kinase ITK/TSK, 7-[(4-methylpiperazin-1-yl)methyl]-4-[(3-methyl-1H-pyrazol-5-yl)amino]-2-(tetrahydro-2H-pyran-4-yl)phthalazin-1(2H)-one (3 entities in total)
• 機能のキーワード: helix c-out, 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: 30553.96

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 (1.72 Å)