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TitleInhibition of Plasmodium falciparum plasmepsins by drugs targeting HIV-1 protease: A way forward for antimalarial drug discovery.
Journal, issue, pagesCurr Res Struct Biol, Vol. 7, Page 100128-100128, Year 2024
Publish dateSep 7, 2021 (structure data deposition date)
AuthorsMishra, V. / Deshmukh, A. / Rathore, I. / Chakraborty, S. / Patankar, S. / Gustchina, A. / Wlodawer, A. / Yada, R.Y. / Bhaumik, P.
External linksCurr Res Struct Biol / PubMed:38304146
MethodsX-ray diffraction
Resolution1.9 - 3.2 Å
Structure data

PDB-7ve0:
Crystal Structure of Ritonavir bound Plasmepsin II (PMII) from Plasmodium falciparum
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-7ve2:
Crystal Structure of Lopinavir bound Plasmepsin II (PMII) from Plasmodium falciparum
Method: X-RAY DIFFRACTION / Resolution: 3.2 Å

Chemicals

ChemComp-RIT:
RITONAVIR / medication, antiretroviral*YM

ChemComp-CPS:
3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE / detergent*YM

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-AB1:
N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE / antiretroviral, protease inhibitor*YM

Source
  • plasmodium falciparum (isolate 3d7) (eukaryote)
KeywordsHYDROLASE / Inhibitor / Protease / Peptidomimetic / HIV-1 protease inhibitor / peptidase / hemoglobin degrader

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