7UOQ

CRYSTAL STRUCTURE OF HIV-1 INTEGRASE COMPLEXED WITH (2S)-2-(TERT-BUTOXY)-2-(5-{2-[(2-CHLORO-6-M ETHYLPHENYL)METHYL]-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL}-4- (4,4-DIMETHYLPIPERIDIN-1-YL)-2-METHYLPYRIDIN-3-YL)ACETIC ACID

7UOQ の概要

• エントリーDOI: 10.2210/pdb7uoq/pdb
• 分子名称: Integrase, (2S)-tert-butoxy[(5M)-5-{2-[(2-chloro-6-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl}-4-(4,4-dimethylpiperidin-1-yl)-2-methylpyridin-3-yl]acetic acid, SULFATE ION, ... (4 entities in total)
• 機能のキーワード: integrase, transferase, hydrolase
• 由来する生物種: Human immunodeficiency virus 1
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 20577.68

構造登録者

Lewis, H.A.,Muckelbauer, J.K. (登録日: 2022-04-13, 公開日: 2022-07-06, 最終更新日: 2024-02-14)

• 主引用文献: Parcella, K.,Wang, T.,Eastman, K.,Zhang, Z.,Yin, Z.,Patel, M.,Tu, Y.,Zheng, B.Z.,Walker, M.A.,Saulnier, M.G.,Frennesson, D.,Bowsher, M.,Gillis, E.,Peese, K.,Belema, M.,Cianci, C.,Dicker, I.B.,McAuliffe, B.,Ding, B.,Falk, P.,Simmermacher, J.,Parker, D.D.,Sivaprakasam, P.,Kish, K.,Lewis, H.,Hanumegowda, U.,Jenkins, S.,Kadow, J.F.,Krystal, M.,Meanwell, N.A.,Naidu, B.N.; Discovery and Preclinical Profiling of GSK3839919, a Potent HIV-1 Allosteric Integrase Inhibitor.; Acs Med.Chem.Lett., 13:972-980, 2022; PubMed: 35707159; DOI: 10.1021/acsmedchemlett.2c00115

実験手法

X-RAY DIFFRACTION (1.8867 Å)