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TitleA clinical SARS-CoV-2 Mpro inhibitor blocks replication of multiple enteroviruses and confers oral in vivo protection in animal models.
Journal, issue, pagesPlos Pathog., Vol. 22, Page e1014051-e1014051, Year 2026
Publish dateJun 23, 2025 (structure data deposition date)
AuthorsYe, Z. / Dai, W. / Zhang, S. / Xiang, Y. / Wang, J. / Zhang, Y. / Cao, W. / Neyts, J. / Li, Z. / Feng, F. ...Ye, Z. / Dai, W. / Zhang, S. / Xiang, Y. / Wang, J. / Zhang, Y. / Cao, W. / Neyts, J. / Li, Z. / Feng, F. / Xiao, G. / Liu, H. / Cao, J. / Zhang, L.K.
External linksPlos Pathog. / PubMed:41811867
MethodsX-ray diffraction
Resolution2.3 Å
Structure data

PDB-9vkk:
Crystal structure of EV71 3C protease in complex with bofutrelvir
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-GOL:
GLYCEROL

ChemComp-FHR:
~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide

ChemComp-HOH:
WATER

Source
  • human enterovirus 71 (strain brcr)
KeywordsHYDROLASE / Enterovirus / 3C protease / Complex / bofutrelvir

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