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Structure paper

TitlePeptide-Boronic Acid Inhibitors of Flaviviral Proteases: Medicinal Chemistry and Structural Biology.
Journal, issue, pagesJ. Med. Chem., Vol. 60, Page 511-516, Year 2017
Publish dateFeb 24, 2016 (structure data deposition date)
AuthorsNitsche, C. / Zhang, L. / Weigel, L.F. / Schilz, J. / Graf, D. / Bartenschlager, R. / Hilgenfeld, R. / Klein, C.D.
External linksJ. Med. Chem. / PubMed:27966962
MethodsX-ray diffraction
Resolution1.5 Å
Structure data

PDB-5idk:
Crystal structure of West Nile Virus NS2B-NS3 protease in complex with a capped dipeptide boronate inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

Chemicals

ChemComp-6A8:
((R)-1-((S)-3-(4-(aminomethyl)phenyl)-2-benzamidopropaneamido)-4-guanidinobutyl)boronic acid, cyclic double ester with glycerol

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • west nile virus
KeywordsVIRAL PROTEIN / Antivirus agents / peptides / West Nile virus / boronic acid

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