5CF8

CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-10-ETHYL-7-[(3-METHOXYPROPYL)AMINO] -3-METHYL-3,5,8,10-TETRAAZATRICYCLO[7.3.0.0,6] DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE

5CF8 の概要

• エントリーDOI: 10.2210/pdb5cf8/pdb
• 関連するPDBエントリー: 5CF4 5CF5 5CF6
• 分子名称: Tyrosine-protein kinase JAK2, N,N-dicyclopropyl-4-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide (3 entities in total)
• 機能のキーワード: kinase, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Endomembrane system ; Peripheral membrane protein : O60674
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 72256.27

構造登録者

Sack, J.S. (登録日: 2015-07-08, 公開日: 2015-08-26, 最終更新日: 2017-11-22)

• 主引用文献: Wan, H.,Schroeder, G.M.,Hart, A.C.,Inghrim, J.,Grebinski, J.,Tokarski, J.S.,Lorenzi, M.V.,You, D.,Mcdevitt, T.,Penhallow, B.,Vuppugalla, R.,Zhang, Y.,Gu, X.,Iyer, R.,Lombardo, L.J.,Trainor, G.L.,Ruepp, S.,Lippy, J.,Blat, Y.,Sack, J.S.,Khan, J.A.,Stefanski, K.,Sleczka, B.,Mathur, A.,Sun, J.H.,Wong, M.K.,Wu, D.R.,Li, P.,Gupta, A.,Arunachalam, P.N.,Pragalathan, B.,Narayanan, S.,K C, N.,Kuppusamy, P.,Purandare, A.V.; Discovery of a Highly Selective JAK2 Inhibitor, BMS-911543, for the Treatment of Myeloproliferative Neoplasms.; Acs Med.Chem.Lett., 6:850-855, 2015; PubMed: 26288683; DOI: 10.1021/acsmedchemlett.5b00226

実験手法

X-RAY DIFFRACTION (1.8 Å)