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TitleExploring Aspartic Protease Inhibitor Binding to Design Selective Antimalarials.
Journal, issue, pagesJ. Chem. Inf. Model., Vol. 62, Page 3263-3273, Year 2022
Publish dateJan 28, 2022 (structure data deposition date)
AuthorsBobrovs, R. / Basens, E.E. / Drunka, L. / Kanepe, I. / Matisone, S. / Velins, K.K. / Andrianov, V. / Leitis, G. / Zelencova-Gopejenko, D. / Rasina, D. ...Bobrovs, R. / Basens, E.E. / Drunka, L. / Kanepe, I. / Matisone, S. / Velins, K.K. / Andrianov, V. / Leitis, G. / Zelencova-Gopejenko, D. / Rasina, D. / Jirgensons, A. / Jaudzems, K.
External linksJ. Chem. Inf. Model. / PubMed:35712895
MethodsX-ray diffraction
Resolution3.33 Å
Structure data

PDB-7qyh:
Structure of plasmepsin II in complex with 2-aminoquinazolin-4(3H)-one based open-flap inhibitor
Method: X-RAY DIFFRACTION / Resolution: 3.33 Å

Chemicals

ChemComp-I0J:
2-azanyl-3-[[(2~{R})-oxolan-2-yl]methyl]-7-(5-phenylpentyl)quinazolin-4-one

Source
  • plasmodium falciparum 3d7 (eukaryote)
KeywordsHYDROLASE / Eukaryotic aspartic protease / malaria / plasmepsin

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