9DOJ

Influenza A virus polymerase PA subunit endonuclease domain bound to inhibitor Compound 19a

これはPDB形式変換不可エントリーです。

9DOJ の概要

• エントリーDOI: 10.2210/pdb9doj/pdb
• 分子名称: Polymerase acidic protein, MANGANESE (II) ION, (2aS,4aR,10bS,11S,12R)-4a-(2,2-difluoroethyl)-16-hydroxy-2-methyl-2,2a,3,4,4a,5,6,10b-octahydrobenzo[h]pyrido[1',2':1,6][1,2,4]triazino[2,3-a]quinoline-1,15-dione, ... (5 entities in total)
• 機能のキーワード: viral polymerase endonuclease, hydrolase-inhibitor, hydrolase-inhibitor complex, hydrolase/inhibitor
• 由来する生物種: Influenza A virus
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 50246.42

構造登録者

Hollenstein, K.,Price, I.R.,Eddins, M.J.,Su, H.P. (登録日: 2024-09-19, 公開日: 2025-01-29)

主引用文献

Zhang, Y.,Sun, C.,Guo, L.,Zhao, K.,Bennett, F.,Lam, Y.H.,Gao, Q.,Ruhl, K.E.,Pirnot, M.T.,Emmert, M.H.,Hollenstein, K.,Eddins, M.J.,Su, H.P.,Shao, G.,Song, C.,Lo, M.M.,Peng, F.,Qi, J.,Crowley, B.M.,McCauley, J.A.,Price, I.R.
Highly Diastereoselective Access to Densely Functionalized Piperidine Cores of Influenza Endonuclease Inhibitors via a Metal-Free S N 1 Approach.
J.Org.Chem., 90:1175-1179, 2025

PubMed Abstract: A novel, highly diastereoselective, and metal-free synthesis of multisubstituted piperidines via an S1 approach is reported in this study. The method allows for the preparation of highly functionalized compounds with exceptional diastereomeric selectivities and consistently reproducible yields. These compounds are of significant interest due to their remarkable biological activities toward influenza endonuclease.

PubMed: 39745425
DOI: 10.1021/acs.joc.4c02379

実験手法

X-RAY DIFFRACTION (1.48 Å)