6NCJ

Structure of HIV-1 Integrase with potent 5,6,7,8-Tetrahydro-1,6-naphthyridine Derivatives Allosteric Site Inhibitors

6NCJ の概要

• エントリーDOI: 10.2210/pdb6ncj/pdb
• 分子名称: Integrase, 1,2-ETHANEDIOL, (2~{S})-2-[4-(8-fluoranyl-5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)-2-methyl-6-[[(1~{S},2~{R})-2-phenylcyclopropyl]methyl]-7,8-dihydro-5~{H}-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, ... (5 entities in total)
• 機能のキーワード: integrase, catalytic, inhibitor, viral protein
• 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: 20698.38

構造登録者

Nolte, R.T. (登録日: 2018-12-11, 公開日: 2019-01-16, 最終更新日: 2024-03-13)

• 主引用文献: Peese, K.M.,Allard, C.W.,Connolly, T.,Johnson, B.L.,Li, C.,Patel, M.,Sorensen, M.E.,Walker, M.A.,Meanwell, N.A.,McAuliffe, B.,Minassian, B.,Krystal, M.,Parker, D.D.,Lewis, H.A.,Kish, K.,Zhang, P.,Nolte, R.T.,Simmermacher, J.,Jenkins, S.,Cianci, C.,Naidu, B.N.; 5,6,7,8-Tetrahydro-1,6-naphthyridine Derivatives as Potent HIV-1-Integrase-Allosteric-Site Inhibitors.; J. Med. Chem., 62:1348-1361, 2019; PubMed: 30609350; DOI: 10.1021/acs.jmedchem.8b01473

実験手法

X-RAY DIFFRACTION (2 Å)