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TitleFragment-Based Discovery of 2-Aminoquinazolin-4(3H)-ones As Novel Class Nonpeptidomimetic Inhibitors of the Plasmepsins I, II, and IV.
Journal, issue, pagesJ. Med. Chem., Vol. 59, Page 374-387, Year 2016
Publish dateMar 28, 2015 (structure data deposition date)
AuthorsRasina, D. / Otikovs, M. / Leitans, J. / Recacha, R. / Borysov, O.V. / Kanepe-Lapsa, I. / Domraceva, I. / Pantelejevs, T. / Tars, K. / Blackman, M.J. ...Rasina, D. / Otikovs, M. / Leitans, J. / Recacha, R. / Borysov, O.V. / Kanepe-Lapsa, I. / Domraceva, I. / Pantelejevs, T. / Tars, K. / Blackman, M.J. / Jaudzems, K. / Jirgensons, A.
External linksJ. Med. Chem. / PubMed:26670264
MethodsX-ray diffraction
Resolution2.62 Å
Structure data

PDB-4z22:
structure of plasmepsin II from Plasmodium Falciparum complexed with inhibitor DR718A
Method: X-RAY DIFFRACTION / Resolution: 2.62 Å

Chemicals

ChemComp-4KG:
2-amino-7-phenyl-3-{[(2R,5S)-5-phenyltetrahydrofuran-2-yl]methyl}quinazolin-4(3H)-one

ChemComp-HOH:
WATER

Source
  • plasmodium falciparum (malaria parasite P. falciparum)
KeywordsHYDROLASE / plasmepsin II / malaria / inhibitor

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