8G8X

X-ray co-crystal structure of compound 27 in with complex JAK2

8G8X の概要

• エントリーDOI: 10.2210/pdb8g8x/pdb
• 分子名称: Tyrosine-protein kinase JAK2, 3-cyclopropyl-1-{5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl}azetidin-3-ol (3 entities in total)
• 機能のキーワード: inhibitor, jak2, 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: 2
• 化学式量合計: 75551.89

構造登録者

Miller, S.T.,Ellis, D.A. (登録日: 2023-02-20, 公開日: 2023-06-21, 最終更新日: 2023-11-15)

• 主引用文献: Gordhan, H.M.,Miller, S.T.,Clancy, D.C.,Ina, M.,McDougal, A.V.,Cutno, D.K.,Brown, R.V.,Lichorowic, C.L.,Sturdivant, J.M.,Vick, K.A.,Williams, S.S.,deLong, M.A.,White, J.C.,Kopczynski, C.C.,Ellis, D.A.; Eyes on Topical Ocular Disposition: The Considered Design of a Lead Janus Kinase (JAK) Inhibitor That Utilizes a Unique Azetidin-3-Amino Bridging Scaffold to Attenuate Off-Target Kinase Activity, While Driving Potency and Aqueous Solubility.; J.Med.Chem., 66:8929-8950, 2023; PubMed: 37314941; DOI: 10.1021/acs.jmedchem.3c00519

実験手法

X-RAY DIFFRACTION (1.97 Å)