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Structure paper

TitleStructural and Thermodynamic Analysis of the Resistance Development to Pimodivir (VX-787), the Clinical Inhibitor of Cap Binding to PB2 Subunit of Influenza A Polymerase.
Journal, issue, pagesMolecules, Vol. 26, Year 2021
Publish dateOct 26, 2020 (structure data deposition date)
AuthorsGregor, J. / Radilova, K. / Brynda, J. / Fanfrlik, J. / Konvalinka, J. / Kozisek, M.
External linksMolecules / PubMed:33673017
MethodsX-ray diffraction
Resolution1.5 - 1.75 Å
Structure data

PDB-7as0:
Influenza A PB2 in complex with VX-787
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-7as1:
Influenza A PB2 (F404Y mutation) in complex with VX-787
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-7as2:
Influenza A PB2 (M431 mutation) in complex with VX-787
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-7as3:
Influenza A PB2 (H357N mutation) in complex with VX-787
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

Chemicals

ChemComp-21G:
(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

ChemComp-BR:
BROMIDE ION

ChemComp-HOH:
WATER

ChemComp-CL:
Unknown entry

Source
  • influenza a virus (a/california/07/2009(h1n1))
KeywordsVIRAL PROTEIN / Influenza A / polymerase / cap-snatching / PB2 / VX787 / Polymerase basic protein 2

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