5U6E

Crystal structure of clade A/E HIV-1 gp120 core in complex with NBD-14010

5U6E の概要

• エントリーDOI: 10.2210/pdb5u6e/pdb
• 分子名称: clade A/E 93TH057 HIV-1 gp120 core, 2-acetamido-2-deoxy-beta-D-glucopyranose, N-{(1S)-2-amino-1-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]ethyl}-5-(4-chloro-3-fluorophenyl)-1H-pyrrole-2-carboxamide, ... (5 entities in total)
• 機能のキーワード: hiv-1, nbd-14010, virus entry antagonist, small molecule, viral protein
• 由来する生物種: Human immunodeficiency virus 1
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 83596.84

構造登録者

Kwon, Y.D.,Debnath, A.K.,Kwong, P.D. (登録日: 2016-12-07, 公開日: 2017-03-22, 最終更新日: 2023-10-04)

• 主引用文献: Curreli, F.,Kwon, Y.D.,Belov, D.S.,Ramesh, R.R.,Kurkin, A.V.,Altieri, A.,Kwong, P.D.,Debnath, A.K.; Synthesis, Antiviral Potency, in Vitro ADMET, and X-ray Structure of Potent CD4 Mimics as Entry Inhibitors That Target the Phe43 Cavity of HIV-1 gp120.; J. Med. Chem., 60:3124-3153, 2017; PubMed: 28266845; DOI: 10.1021/acs.jmedchem.7b00179

実験手法

X-RAY DIFFRACTION (2.095 Å)