6VLM

Core Catalytic Domain of HIV Integrase in complex with virtual screening hit

6VLM の概要

• エントリーDOI: 10.2210/pdb6vlm/pdb
• 分子名称: Integrase, [3-(4-chlorophenyl)[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid (3 entities in total)
• 機能のキーワード: inhibitor, hydrolase, viral protein, 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: 2
• 化学式量合計: 40058.76

構造登録者

Klein, D.J.,Sanders, J.M. (登録日: 2020-01-24, 公開日: 2020-05-13, 最終更新日: 2024-03-06)

• 主引用文献: Yan, X.C.,Sanders, J.M.,Gao, Y.D.,Tudor, M.,Haidle, A.M.,Klein, D.J.,Converso, A.,Lesburg, C.A.,Zang, Y.,Wood, H.B.; Augmenting Hit Identification by Virtual Screening Techniques in Small Molecule Drug Discovery.; J.Chem.Inf.Model., 60:4144-4152, 2020; PubMed: 32309939; DOI: 10.1021/acs.jcim.0c00113

実験手法

X-RAY DIFFRACTION (2.32 Å)