9DOJ

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

This is a non-PDB format compatible entry.

Summary for 9DOJ

• Entry DOI: 10.2210/pdb9doj/pdb
• Descriptor: 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)
• Functional Keywords: viral polymerase endonuclease, hydrolase-inhibitor, hydrolase-inhibitor complex, hydrolase/inhibitor
• Biological source: Influenza A virus
• Total number of polymer chains: 2
• Total formula weight: 50246.42

Authors

Hollenstein, K.,Price, I.R.,Eddins, M.J.,Su, H.P. (deposition date: 2024-09-19, release date: 2025-01-29)

Primary citation

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

Experimental method

X-RAY DIFFRACTION (1.48 Å)