8G6Z

JAK2 crystal structure in complex with Compound 13

8G6Z の概要

• エントリーDOI: 10.2210/pdb8g6z/pdb
• 分子名称: Tyrosine-protein kinase JAK2, (3R)-3-cyclopentyl-3-[(4M)-4-{5-methyl-2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-1H-pyrazol-1-yl]propanenitrile, 1,2-ETHANEDIOL, ... (4 entities in total)
• 機能のキーワード: inhibitor, complex, kinase inhibitor, 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: 75600.15

構造登録者

Miller, S.T.,Ellis, D.A. (登録日: 2023-02-16, 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 (2.45 Å)