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Structure paper

TitleStructures of plasmepsin II from Plasmodium falciparum in complex with two hydroxyethylamine-based inhibitors.
Journal, issue, pagesActa Crystallogr. ,Sect. F, Vol. 71, Page 1531-1539, Year 2015
Publish dateFeb 13, 2015 (structure data deposition date)
AuthorsRecacha, R. / Leitans, J. / Akopjana, I. / Aprupe, L. / Trapencieris, P. / Jaudzems, K. / Jirgensons, A. / Tars, K.
External linksActa Crystallogr. ,Sect. F / PubMed:26625296
MethodsX-ray diffraction
Resolution2.27 - 3.301 Å
Structure data

PDB-4y6m:
Structure of plasmepsin II from Plasmodium falciparum complexed with inhibitor PG418
Method: X-RAY DIFFRACTION / Resolution: 2.27 Å

PDB-4ya8:
structure of plasmepsin II from Plasmodium Falciparum complexed with inhibitor PG394
Method: X-RAY DIFFRACTION / Resolution: 3.301 Å

Chemicals

ChemComp-48Q:
~{N}1-[(~{Z},3~{R})-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-but-1-en-2-yl]-5-piperidin-1-yl-~{N}3,~{N}3-dipropyl-benzene-1,3-dicarboxamide

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-49W:
N'-[(2S,3S)-3-hydroxy-1-phenyl-4-{[2-(pyridin-2-yl)propan-2-yl]amino}butan-2-yl]-N,N-dipropyl-5-(pyridin-1(2H)-yl)benzene-1,3-dicarboxamide

Source
  • plasmodium falciparum (malaria parasite P. falciparum)
KeywordsHYDROLASE / plasmepsin II Hydroxyethylamine-basd Inhibitor / plasmepsin II / malaria / inhibitor

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