6GL9

Crystal structure of JAK3 in complex with Compound 10 (FM475)

6GL9 の概要

• エントリーDOI: 10.2210/pdb6gl9/pdb
• 関連するPDBエントリー: 6GLA 6GLB
• 分子名称: Tyrosine-protein kinase JAK3, (~{E})-3-[3-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)phenyl]prop-2-enenitrile, 1-phenylurea, ... (6 entities in total)
• 機能のキーワード: kinase, jak3, covalent inhibitor, reversible covalent inhibitor, induced pocket, arginine pocket, structural genomics consortium, sgc, transferase
• 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: 68832.83

構造登録者

Chaikuad, A.,Forster, M.,von Delft, F.,Edwards, A.M.,Arrowsmith, C.H.,Bountra, C.,Laufer, S.A.,Knapp, S.,Structural Genomics Consortium (SGC) (登録日: 2018-05-23, 公開日: 2018-06-27, 最終更新日: 2024-01-17)

• 主引用文献: Forster, M.,Chaikuad, A.,Dimitrov, T.,Doring, E.,Holstein, J.,Berger, B.T.,Gehringer, M.,Ghoreschi, K.,Muller, S.,Knapp, S.,Laufer, S.A.; Development, Optimization, and Structure-Activity Relationships of Covalent-Reversible JAK3 Inhibitors Based on a Tricyclic Imidazo[5,4- d]pyrrolo[2,3- b]pyridine Scaffold.; J. Med. Chem., 61:5350-5366, 2018; PubMed: 29852068; DOI: 10.1021/acs.jmedchem.8b00571

実験手法

X-RAY DIFFRACTION (1.7 Å)