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TitleDiscovery and Optimization of a Novel Series of Influenza A Virus Replication Inhibitors Targeting the Nucleoprotein Protein-Protein Interaction.
Journal, issue, pagesJ. Med. Chem., Vol. 68, Page 16349-16370, Year 2025
Publish dateMay 27, 2025 (structure data deposition date)
AuthorsTaft, B.R. / Hesse, M.J. / Mamo, M. / Bussiere, D.E. / Huang, R. / Lee, P.S. / Wedel, L. / Growcott, E. / Wolff, K.C. / Kuhen, K. ...Taft, B.R. / Hesse, M.J. / Mamo, M. / Bussiere, D.E. / Huang, R. / Lee, P.S. / Wedel, L. / Growcott, E. / Wolff, K.C. / Kuhen, K. / Abend, J. / Wong, K.A. / Ganem, D. / Leonard, V.H.J. / Tully, D.C.
External linksJ. Med. Chem. / PubMed:40700440
MethodsX-ray diffraction
Resolution2.244 - 2.732 Å
Structure data

PDB-9otw:
Influenza A Virus Nucleoprotein(8-498)NP complex with 5-(4-{[(2R)-6,6-dimethyl-1,4-dioxan-2-yl]methoxy}phenyl)-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide (compound 13)
Method: X-RAY DIFFRACTION / Resolution: 2.244 Å

PDB-9ouc:
Influenza A Virus Nucleoprotein(8-498)NP complex with 5-(4-(morpholinomethyl)phenyl)-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide (Compound 3)
Method: X-RAY DIFFRACTION / Resolution: 2.732 Å

PDB-9oug:
Influenza A Virus Nucleoprotein(8-498)NP complex with rac-5-(4-(((2R,6R)-6-(methoxymethyl)-6-methyl-1,4-dioxan-2-yl)methoxy)phenyl)-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide (Compound 20)
Method: X-RAY DIFFRACTION / Resolution: 2.33 Å

Chemicals

PDB-1cef:
CEFOTAXIME COMPLEXED WITH THE STREPTOMYCES R61 DD-PEPTIDASE

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

PDB-1cem:
ENDOGLUCANASE A (CELA) CATALYTIC CORE, RESIDUES 33-395

PDB-1ceo:
CELLULASE (CELC) MUTANT WITH GLU 140 REPLACED BY GLN

Source
  • influenza a virus (a/(puerto rico/8/1934-korea/426/1968)(h2n2))
KeywordsVIRAL PROTEIN / Nucleocapsid protein Nucleoprotein

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