4RZ8

Crystal structure of HIV-1 gp120 core in complex with NBD-11021, a small molecule CD4-antagonist

4RZ8 の概要

• エントリーDOI: 10.2210/pdb4rz8/pdb
• 分子名称: Envelope glycoprotein gp120, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(4-chlorophenyl)-N-{(S)-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl][(2R)-piperidin-2-yl]methyl}-1H-pyrrole-2-carboxamide, ... (5 entities in total)
• 機能のキーワード: hiv-1 gp120, nbd-11021, small molecule cd4-antagonist, phe 43 cavity, viral protein
• 由来する生物種: Human immunodeficiency virus 1; 詳細
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 168222.92

構造登録者

Kwon, Y.D.,Debnath, A.K.,Kwong, P.D. (登録日: 2014-12-18, 公開日: 2015-09-09, 最終更新日: 2023-09-20)

• 主引用文献: Curreli, F.,Kwon, Y.D.,Zhang, H.,Scacalossi, D.,Belov, D.S.,Tikhonov, A.A.,Andreev, I.A.,Altieri, A.,Kurkin, A.V.,Kwong, P.D.,Debnath, A.K.; Structure-Based Design of a Small Molecule CD4-Antagonist with Broad Spectrum Anti-HIV-1 Activity.; J.Med.Chem., 58:6909-6927, 2015; PubMed: 26301736; DOI: 10.1021/acs.jmedchem.5b00709

実験手法

X-RAY DIFFRACTION (1.9 Å)