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TitleNovel flexible biphenyl Pf DHFR inhibitors with improved antimalarial activity.
Journal, issue, pagesRsc Med Chem, Vol. 15, Page 2496-2507, Year 2024
Publish dateMar 19, 2024 (structure data deposition date)
AuthorsDecharuangsilp, S. / Arwon, U. / Sooksai, N. / Rattanajak, R. / Saeyang, T. / Vitsupakorn, D. / Vanichtanankul, J. / Yuthavong, Y. / Kamchonwongpaisan, S. / Hoarau, M.
External linksRsc Med Chem / PubMed:39026651
MethodsX-ray diffraction
Resolution2.1 - 2.4 Å
Structure data

PDB-8yq8:
Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS V1/S) complexed with FB8, NADPH and dUMP
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-8yq9:
Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS V1/S) complexed with FB6, NADPH and dUMP
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

PDB-1lzs:
STRUCTURAL CHANGES OF THE ACTIVE SITE CLEFT AND DIFFERENT SACCHARIDE BINDING MODES IN HUMAN LYSOZYME CO-CRYSTALLIZED WITH HEXA-N-ACETYL-CHITOHEXAOSE AT PH 4.0

ChemComp-NDP:
NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-UMP:
2'-DEOXYURIDINE 5'-MONOPHOSPHATE

ChemComp-HOH:
WATER

PDB-1lzt:
REFINEMENT OF TRICLINIC LYSOZYME

ChemComp-GOL:
GLYCEROL

Source
  • plasmodium falciparum vs/1 (eukaryote)
  • plasmodium falciparum (malaria parasite P. falciparum)
KeywordsOXIDOREDUCTASE / dihydrofolate reductase / thymidylate synthase / antifolate / Plasmodium falciparum / biphenyl / fragment

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