4P1U

Influenza A (flu) virus polymerase basic protein 2 (PB2) bound to VX787, an azaindole inhibitor

4P1U の概要

• エントリーDOI: 10.2210/pdb4p1u/pdb
• 分子名称: Polymerase basic protein 2, (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid (3 entities in total)
• 機能のキーワード: small-molecule drug, inhibitor, flu, m7-gtp pocket, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Influenza A virus
• 細胞内の位置: Virion: P31345
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 19573.72

構造登録者

Jacobs, M.D. (登録日: 2014-02-27, 公開日: 2014-07-30, 最終更新日: 2023-12-27)

• 主引用文献: Clark, M.P.,Ledeboer, M.W.,Davies, I.,Byrn, R.A.,Jones, S.M.,Perola, E.,Tsai, A.,Jacobs, M.,Nti-Addae, K.,Bandarage, U.K.,Boyd, M.J.,Bethiel, R.S.,Court, J.J.,Deng, H.,Duffy, J.P.,Dorsch, W.A.,Farmer, L.J.,Gao, H.,Gu, W.,Jackson, K.,Jacobs, D.H.,Kennedy, J.M.,Ledford, B.,Liang, J.,Maltais, F.,Murcko, M.,Wang, T.,Wannamaker, M.W.,Bennett, H.B.,Leeman, J.R.,McNeil, C.,Taylor, W.P.,Memmott, C.,Jiang, M.,Rijnbrand, R.,Bral, C.,Germann, U.,Nezami, A.,Zhang, Y.,Salituro, F.G.,Bennani, Y.L.,Charifson, P.S.; Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2.; J.Med.Chem., 57:6668-6678, 2014; PubMed: 25019388; DOI: 10.1021/jm5007275

実験手法

X-RAY DIFFRACTION (2.52 Å)