6EB2

HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-[1-(1-benzyl-1H-pyrazol-4-yl)-3-(3,4-dihydro-2H-1-benzopyran-6-yl)isoquinolin-4-yl](tert-butoxy)acetic acid

6EB2 の概要

• エントリーDOI: 10.2210/pdb6eb2/pdb
• 分子名称: Integrase, (2S)-[1-(1-benzyl-1H-pyrazol-4-yl)-3-(3,4-dihydro-2H-1-benzopyran-6-yl)isoquinolin-4-yl](tert-butoxy)acetic acid (3 entities in total)
• 機能のキーワード: hiv, integrase, inhibitor, allosteric, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 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: 20880.43

構造登録者

Lindenberger, J.J.,Kobe, M.,Kvaratskhelia, M. (登録日: 2018-08-03, 公開日: 2019-03-06, 最終更新日: 2023-10-11)

• 主引用文献: Wilson, T.A.,Koneru, P.C.,Rebensburg, S.V.,Lindenberger, J.J.,Kobe, M.J.,Cockroft, N.T.,Adu-Ampratwum, D.,Larue, R.C.,Kvaratskhelia, M.,Fuchs, J.R.; An Isoquinoline Scaffold as a Novel Class of Allosteric HIV-1 Integrase Inhibitors.; ACS Med Chem Lett, 10:215-220, 2019; PubMed: 30783506; DOI: 10.1021/acsmedchemlett.8b00633

実験手法

X-RAY DIFFRACTION (2.493 Å)