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Structure paper

TitleThe impact of the butterfly effect on human parainfluenza virus haemagglutinin-neuraminidase inhibitor design.
Journal, issue, pagesSci Rep, Vol. 7, Page 4507-4507, Year 2017
Publish dateJul 13, 2016 (structure data deposition date)
AuthorsDirr, L. / El-Deeb, I.M. / Chavas, L.M.G. / Guillon, P. / Itzstein, M.V.
External linksSci Rep / PubMed:28674426
MethodsX-ray diffraction
Resolution1.949 - 2 Å
Structure data

PDB-5kv8:
Crystal structure of a hPIV haemagglutinin-neuraminidase-inhibitor complex
Method: X-RAY DIFFRACTION / Resolution: 1.949 Å

PDB-5kv9:
Crystal structure of a hPIV haemagglutinin-neuraminidase-inhibitor complex
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-NDG:
2-acetamido-2-deoxy-alpha-D-glucopyranose

ChemComp-BMA:
beta-D-mannopyranose

ChemComp-CA:
Unknown entry

ChemComp-6Y6:
2,6-anhydro-3,4,5-trideoxy-4-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-5-[(2-methylpropanoyl)amino]-D-glycero-D-galacto

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-CIT:
CITRIC ACID

ChemComp-SO4:
SULFATE ION

ChemComp-MAN:
alpha-D-mannopyranose

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-I57:
2,6-anhydro-3,4,5-trideoxy-5-[(2-methylpropanoyl)amino]-4-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-D-galacto-non-2-en

Source
  • human parainfluenza virus 3
KeywordsHYDROLASE/INHIBITOR / haemagglutinin-neuraminidase / hydrolase / viral protein / host cell surface receptor binding / HYDROLASE-INHIBITOR complex / hyrdrolase

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