4GJ3

Tyk2 (JH1) in complex with 2,6-dichloro-4-cyano-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide

4GJ3 の概要

• エントリーDOI: 10.2210/pdb4gj3/pdb
• 関連するPDBエントリー: 4GIH 4GII 4GJ2 4GVJ
• 分子名称: Non-receptor tyrosine-protein kinase TYK2, 2,6-dichloro-4-cyano-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide (3 entities in total)
• 機能のキーワード: kinase, atp binding, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 35141.93

構造登録者

Ultsch, M.H. (登録日: 2012-08-09, 公開日: 2013-05-29, 最終更新日: 2023-09-13)

• 主引用文献: Liang, J.,van Abbema, A.,Balazs, M.,Barrett, K.,Berezhkovsky, L.,Blair, W.,Chang, C.,Delarosa, D.,Devoss, J.,Driscoll, J.,Eigenbrot, C.,Ghilardi, N.,Gibbons, P.,Halladay, J.,Johnson, A.,Kohli, P.B.,Lai, Y.,Liu, Y.,Lyssikatos, J.,Mantik, P.,Menghrajani, K.,Murray, J.,Peng, I.,Sambrone, A.,Shia, S.,Shin, Y.,Smith, J.,Sohn, S.,Tsui, V.,Ultsch, M.,Wu, L.C.,Xiao, Y.,Yang, W.,Young, J.,Zhang, B.,Zhu, B.Y.,Magnuson, S.; Lead Optimization of a 4-Aminopyridine Benzamide Scaffold To Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors.; J.Med.Chem., 56:4521-4536, 2013; PubMed: 23668484; DOI: 10.1021/jm400266t

実験手法

X-RAY DIFFRACTION (2.5 Å)