7Z61

Crystal structure of PI3Kgamma with a dihydropurinone inhibitor (compound 18)

7Z61 の概要

• エントリーDOI: 10.2210/pdb7z61/pdb
• 分子名称: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, 9-[(3~{R},4~{R})-4-fluoranylpyrrolidin-3-yl]-7-methyl-2-[(7-methylquinolin-6-yl)amino]purin-8-one (2 entities in total)
• 機能のキーワード: type i kinase inhibitor, structure-baed drug design, signaling protein
• 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: 111120.52

構造登録者

Goldberg, F.W.,Ting, A.K.T.,Schimpl, M. (登録日: 2022-03-10, 公開日: 2022-07-13, 最終更新日: 2024-05-01)

• 主引用文献: Goldberg, F.W.,Ting, A.K.T.,Beattie, D.,Lamont, G.M.,Fallan, C.,Finlay, M.R.V.,Williamson, B.,Schimpl, M.,Harmer, A.R.,Adeyemi, O.B.,Nordell, P.,Cronin, A.S.,Vazquez-Chantada, M.,Barratt, D.,Ramos-Montoya, A.,Cadogan, E.B.,Davies, B.R.; Optimization of hERG and Pharmacokinetic Properties for Basic Dihydro-8 H -purin-8-one Inhibitors of DNA-PK.; Acs Med.Chem.Lett., 13:1295-1301, 2022; PubMed: 35978693; DOI: 10.1021/acsmedchemlett.2c00172

実験手法

X-RAY DIFFRACTION (2.738 Å)