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TitleDesign, synthesis, and evaluation of a novel macrocyclic anti-EV71 agent.
Journal, issue, pagesBioorg. Med. Chem., Vol. 28, Page 115551-115551, Year 2020
Publish dateDec 18, 2019 (structure data deposition date)
AuthorsLi, P. / Wu, S. / Xiao, T. / Li, Y. / Su, Z. / Wei, W. / Hao, F. / Hu, G. / Lin, F. / Chen, X. ...Li, P. / Wu, S. / Xiao, T. / Li, Y. / Su, Z. / Wei, W. / Hao, F. / Hu, G. / Lin, F. / Chen, X. / Gu, Z. / Lin, T. / He, H. / Li, J. / Chen, S.
External linksBioorg. Med. Chem. / PubMed:32503695
MethodsX-ray diffraction
Resolution2.033 Å
Structure data

PDB-6lka:
Crystal Structure of EV71-3C protease with a Novel Macrocyclic Compounds
Method: X-RAY DIFFRACTION / Resolution: 2.033 Å

Chemicals

ChemComp-EGF:
~{N}-[(2~{S})-1-[[(2~{S},3~{S},6~{S},7~{Z},12~{E})-4,9-bis(oxidanylidene)-6-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]-2-phenyl-1,10-dioxa-5-azacyclopentadeca-7,12-dien-3-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

ChemComp-HOH:
WATER

Source
  • enterovirus a71
KeywordsHYDROLASE / Enterovirus 71 / 3C Protease Inhibitor / HYDROLASE INHIBITOR / VIRUS

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