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TitleCyanohydrin as an Anchoring Group for Potent and Selective Inhibitors of Enterovirus 71 3C Protease
Journal, issue, pagesJ. Med. Chem., Vol. 58, Page 9414-9420, Year 2015
Publish dateMay 28, 2015 (structure data deposition date)
AuthorsZhai, Y. / Zhao, X. / Cui, Z. / Wang, M. / Wang, Y. / Li, L. / Sun, Q. / Yang, X. / Zeng, D. / Liu, Y. ...Zhai, Y. / Zhao, X. / Cui, Z. / Wang, M. / Wang, Y. / Li, L. / Sun, Q. / Yang, X. / Zeng, D. / Liu, Y. / Sun, Y. / Lou, Z. / Shang, L. / Yin, Z.
External linksJ. Med. Chem. / PubMed:26571192
MethodsX-ray diffraction
Resolution2.7 Å
Structure data

PDB-5bpe:
Crystal structure of EV71 3Cpro in complex with a potent and selective Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

Chemicals

ChemComp-E22:
(2~{S})-~{N}-[(1~{R},2~{S})-1-cyano-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-3-phenyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanamide

ChemComp-HOH:
WATER

Source
  • enterovirus a71
KeywordsHYDROLASE / protease / inhibitor

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