8S99

Crystal structure of the TYK2 pseudokinase domain in complex with compound 11

8S99 の概要

• エントリーDOI: 10.2210/pdb8s99/pdb
• 分子名称: Non-receptor tyrosine-protein kinase TYK2, (8S)-N-[(1R,2S)-2-fluorocyclopropyl]-5-{[(1M,2'M)-3'-fluoro-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, ... (5 entities in total)
• 機能のキーワード: tyk2, pseudokinase, jh2, immunology, transferase
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 3
• 化学式量合計: 100872.11

構造登録者

Toms, A.V.,Leit, S.,Greenwood, J.R.,Carriero, S.,Mondal, S.,Abel, R.,Ashwell, M.,Blanchette, H.,Boyles, N.,Cartwright, M.,Collis, A.,Feng, S.,Ghanakota, P.,Harriman, G.C.,Hosagrahara, V.,Kaila, N.,Kapeller, R.,Rafi, S.,Romero, D.L.,Tarantino, P.,Timaniya, J.,Wester, R.T.,Westlin, W.,Srivastava, B.,Miao, W.,Tummino, P.,McElwee, J.J.,Edmondson, S.D.,Massee, C.E. (登録日: 2023-03-27, 公開日: 2023-07-26, 最終更新日: 2023-08-23)

• 主引用文献: Leit, S.,Greenwood, J.,Carriero, S.,Mondal, S.,Abel, R.,Ashwell, M.,Blanchette, H.,Boyles, N.A.,Cartwright, M.,Collis, A.,Feng, S.,Ghanakota, P.,Harriman, G.C.,Hosagrahara, V.,Kaila, N.,Kapeller, R.,Rafi, S.B.,Romero, D.L.,Tarantino, P.M.,Timaniya, J.,Toms, A.V.,Wester, R.T.,Westlin, W.,Srivastava, B.,Miao, W.,Tummino, P.,McElwee, J.J.,Edmondson, S.D.,Masse, C.E.; Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279.; J.Med.Chem., 66:10473-10496, 2023; PubMed: 37427891; DOI: 10.1021/acs.jmedchem.3c00600

実験手法

X-RAY DIFFRACTION (1.71 Å)