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Structure paper

TitleDesign, synthesis, and evaluation of a novel series of macrocyclic inhibitors of norovirus 3CL protease.
Journal, issue, pagesEur J Med Chem, Vol. 127, Page 41-61, Year 2016
Publish dateSep 27, 2016 (structure data deposition date)
AuthorsDamalanka, V.C. / Kim, Y. / Galasiti Kankanamalage, A.C. / Lushington, G.H. / Mehzabeen, N. / Battaile, K.P. / Lovell, S. / Chang, K.O. / Groutas, W.C.
External linksEur J Med Chem / PubMed:28038326
MethodsX-ray diffraction
Resolution1.4 - 1.75 Å
Structure data

PDB-5tg1:
1.40 A resolution structure of Norovirus 3CL protease in complex with the a m-chlorophenyl substituted macrocyclic inhibitor (17-mer)
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-5tg2:
1.75 A resolution structure of Norovirus 3CL protease in complex with the a n-pentyl substituted macrocyclic inhibitor (17-mer)
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

Chemicals

ChemComp-CL:
Unknown entry

ChemComp-V56:
(4S,7S,17S)-17-(3-chlorophenyl)-7-(hydroxymethyl)-4-(2-methylpropyl)-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione

ChemComp-HOH:
WATER

ChemComp-V69:
(4S,7S,17R)-7-(hydroxymethyl)-4-(2-methylpropyl)-17-pentyl-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione

Source
  • norwalk virus
KeywordsPROTEASE/PROTEASE INHIBITOR / PROTEASE / NOROVIRUS / NORWALK VIRUS / ANTIVIRAL INHIBITORS / MACROCYCLIC INHIBITOR / PROTEASE-PROTEASE INHIBITOR complex / HYDROLASE-HYDROLASE inhibitor complex

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