6VNS

Crystal structure of TYK2 kinase with compound 13

6VNS の概要

• エントリーDOI: 10.2210/pdb6vns/pdb
• 分子名称: Non-receptor tyrosine-protein kinase TYK2, (1R,2R)-2-cyano-N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide (3 entities in total)
• 機能のキーワード: kinase, transferase, transferase-inhibitor complex, 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: 36962.99

構造登録者

Vajdos, F.F. (登録日: 2020-01-29, 公開日: 2020-04-08, 最終更新日: 2023-11-15)

• 主引用文献: Fensome, A.,Ambler, C.M.,Arnold, E.,Banker, M.E.,Clark, J.D.,Dowty, M.E.,Efremov, I.V.,Flick, A.,Gerstenberger, B.S.,Gifford, R.S.,Gopalsamy, A.,Hegen, M.,Jussif, J.,Limburg, D.C.,Lin, T.H.,Pierce, B.S.,Sharma, R.,Trujillo, J.I.,Vajdos, F.F.,Vincent, F.,Wan, Z.K.,Xing, L.,Yang, X.,Yang, X.; Design and optimization of a series of 4-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-2-amines: Dual inhibitors of TYK2 and JAK1.; Bioorg.Med.Chem., 28:115481-115481, 2020; PubMed: 32253095; DOI: 10.1016/j.bmc.2020.115481

実験手法

X-RAY DIFFRACTION (2.09 Å)