3QGY

Crystal structure of ITK inhibitor complex

3QGY の概要

• エントリーDOI: 10.2210/pdb3qgy/pdb
• 関連するPDBエントリー: 3QGW
• 分子名称: Tyrosine-protein kinase ITK/TSK, 3-[(8-phenylthieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide, N-{5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1,2-dihydropyridin-3-yl}-4-(piperidin-1-yl)benzamide, ... (4 entities in total)
• 機能のキーワード: protein kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 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: 2
• 化学式量合計: 65825.16

構造登録者

Brown, K.,Cheetham, G.M.T. (登録日: 2011-01-25, 公開日: 2011-06-22, 最終更新日: 2024-03-20)

• 主引用文献: Charrier, J.D.,Miller, A.,Kay, D.P.,Brenchley, G.,Twin, H.C.,Collier, P.N.,Ramaya, S.,Keily, S.B.,Durrant, S.J.,Knegtel, R.M.,Tanner, A.J.,Brown, K.,Curnock, A.P.,Jimenez, J.M.; Discovery and structure-activity relationship of 3-aminopyrid-2-ones as potent and selective interleukin-2 inducible T-cell kinase (Itk) inhibitors; J.Med.Chem., 54:2341-2350, 2011; PubMed: 21391610; DOI: 10.1021/jm101499u

実験手法

X-RAY DIFFRACTION (2.1 Å)