4YD0

Influenza polymerase basic protein 2 (PB2) bound to an azaindole-tetrazole inhibitor

4YD0 の概要

• エントリーDOI: 10.2210/pdb4yd0/pdb
• 分子名称: Polymerase basic protein 2, 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-N-[(1R,2S,3S,4R)-3-(1H-tetrazol-5-yl)bicyclo[2.2.2]oct-2-yl]pyrimidin-4-amine (3 entities in total)
• 機能のキーワード: small-molecule drug, inhibitor, flu, m7-gtp pocket, transcription-inhibitor complex, transcription/inhibitor
• 由来する生物種: Influenza A virus
• 細胞内の位置: Virion: Q30NP1
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 19614.20

構造登録者

Jacobs, M.D. (登録日: 2015-02-20, 公開日: 2015-04-15, 最終更新日: 2024-02-28)

• 主引用文献: Boyd, M.J.,Bandarage, U.K.,Bennett, H.,Byrn, R.R.,Davies, I.,Gu, W.,Jacobs, M.,Ledeboer, M.W.,Ledford, B.,Leeman, J.R.,Perola, E.,Wang, T.,Bennani, Y.,Clark, M.P.,Charifson, P.S.; Isosteric replacements of the carboxylic acid of drug candidate VX-787: Effect of charge on antiviral potency and kinase activity of azaindole-based influenza PB2 inhibitors.; Bioorg.Med.Chem.Lett., 25:1990-1994, 2015; PubMed: 25827523; DOI: 10.1016/j.bmcl.2015.03.013

実験手法

X-RAY DIFFRACTION (2.62 Å)