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Structure paper

TitleIrreversible inhibitors of the 3C protease of Coxsackie virus through templated assembly of protein-binding fragments.
Journal, issue, pagesNat Commun, Vol. 7, Page 12761-12761, Year 2016
Publish dateMar 24, 2016 (structure data deposition date)
AuthorsBecker, D. / Kaczmarska, Z. / Arkona, C. / Schulz, R. / Tauber, C. / Wolber, G. / Hilgenfeld, R. / Coll, M. / Rademann, J.
External linksNat Commun / PubMed:27677239
MethodsX-ray diffraction
Resolution1.73 Å
Structure data

PDB-5iyt:
Complex structure of EV-B93 main protease 3C with N-Ethyl 4-((1-cycloheptyl-1,2-dihydropyrazol-3-one-5-yl)-amino)-4-oxo-2Z-butenamide
Method: X-RAY DIFFRACTION / Resolution: 1.73 Å

Chemicals

ChemComp-NZN:
N-Ethyl 4-((1-cycloheptyl-1,2-dihydropyrazol-3-one-5-yl)-amino)-4-oxo-butanamide

ChemComp-HOH:
WATER

Source
  • echovirus 1 (strain human/egypt/farouk/1951)
KeywordsHYDROLASE / 3C main protease / Enterovirus B93 / covalent inhibitor

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