7D83

Crystal structure of HIV-1 integrase catalytic core domain in complex with 2-(tert-butoxy)-2-(2-(3-cyclohexylureido)-3,6-dimethyl-5-(5-methylchroman-6-yl)pyridin-4-yl)acetic acid

7D83 の概要

• エントリーDOI: 10.2210/pdb7d83/pdb
• 分子名称: Integrase, SULFATE ION, (2S)-2-[2-(cyclohexylcarbamoylamino)-3,6-dimethyl-5-(5-methyl-3,4-dihydro-2H-chromen-6-yl)pyridin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, ... (4 entities in total)
• 機能のキーワード: hiv-1 integrase, viral protein
• 由来する生物種: Human immunodeficiency virus type 1 group M subtype B (isolate NY5) (HIV-1)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 19246.58

構造登録者

Sugiyama, S.,Sekiguchi, Y. (登録日: 2020-10-07, 公開日: 2021-01-13, 最終更新日: 2023-11-29)

• 主引用文献: Sugiyama, S.,Akiyama, T.,Taoda, Y.,Iwaki, T.,Matsuoka, E.,Akihisa, E.,Seki, T.,Yoshinaga, T.,Kawasuji, T.; Discovery of novel HIV-1 integrase-LEDGF/p75 allosteric inhibitors based on a pyridine scaffold forming an intramolecular hydrogen bond.; Bioorg.Med.Chem.Lett., 33:127742-127742, 2020; PubMed: 33316407; DOI: 10.1016/j.bmcl.2020.127742

実験手法

X-RAY DIFFRACTION (2.43 Å)