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Structure paper

TitlePlasmepsin Inhibitory Activity and Structure-Guided Optimization of a Potent Hydroxyethylamine-Based Antimalarial Hit.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 5, Page 373-, Year 2014
Publish dateJan 8, 2014 (structure data deposition date)
AuthorsJaudzems, K. / Tars, K. / Maurops, G. / Ivdra, N. / Otikovs, M. / Leitans, J. / Kanepe-Lapsa, I. / Domraceva, I. / Mutule, I. / Trapencieris, P. ...Jaudzems, K. / Tars, K. / Maurops, G. / Ivdra, N. / Otikovs, M. / Leitans, J. / Kanepe-Lapsa, I. / Domraceva, I. / Mutule, I. / Trapencieris, P. / Blackman, M.J. / Jirgensons, A.
External linksAcs Med. Chem. Lett. / PubMed:24900843
MethodsX-ray diffraction
Resolution1.85 Å
Structure data

PDB-4cku:
Three dimensional structure of plasmepsin II in complex with hydroxyethylamine-based inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

Chemicals

ChemComp-P2F:
5-[1,1-bis(oxidanylidene)-1,2-thiazinan-2-yl]-N3-[(2S,3R)-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-N1,N1-dipropyl-benzene-1,3-dicarboxamide

ChemComp-HOH:
WATER

Source
  • plasmodium falciparum (malaria parasite P. falciparum)
KeywordsHYDROLASE / MALARIA / DRUG DESIGN

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