5KGW

HIV1 catalytic core domain in complex with inhibitor: (2~{S})-2-[3-(3,4-dihydro-2~{H}-chromen-6-yl)-1-methyl-indol-2-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid

5KGW の概要

• エントリーDOI: 10.2210/pdb5kgw/pdb
• 分子名称: Integrase, SULFATE ION, (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-methyl-1H-indol-2-yl]acetic acid, ... (4 entities in total)
• 機能のキーワード: integrase allini nucleic acid binding, 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: 18834.11

構造登録者

Feng, L.,Kobe, M.,Kvaratskhelia, M. (登録日: 2016-06-13, 公開日: 2016-10-19, 最終更新日: 2018-03-07)

• 主引用文献: Patel, P.A.,Kvaratskhelia, N.,Mansour, Y.,Antwi, J.,Feng, L.,Koneru, P.,Kobe, M.J.,Jena, N.,Shi, G.,Mohamed, M.S.,Li, C.,Kessl, J.J.,Fuchs, J.R.; Indole-based allosteric inhibitors of HIV-1 integrase.; Bioorg.Med.Chem.Lett., 26:4748-4752, 2016; PubMed: 27568085; DOI: 10.1016/j.bmcl.2016.08.037

実験手法

X-RAY DIFFRACTION (2.34 Å)