8YQ9
Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS V1/S) complexed with FB6, NADPH and dUMP
This is a non-PDB format compatible entry.
Summary for 8YQ9
Entry DOI | 10.2210/pdb8yq9/pdb |
Descriptor | Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 4-[4-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]oxypropoxy]phenyl]benzoic acid, ... (6 entities in total) |
Functional Keywords | dihydrofolate reductase, thymidylate synthase, antifolate, plasmodium falciparum, biphenyl, fragment, oxidoreductase |
Biological source | Plasmodium falciparum (malaria parasite P. falciparum) |
Total number of polymer chains | 2 |
Total formula weight | 146924.56 |
Authors | Vanichtanankul, J.,Vitsupakorn, D.,Saeyang, T.,Arwon, U.,Hoarau, M.,Decharuangsilp, S.,Kamchonwongpaisan, S.,Yuthavong, Y. (deposition date: 2024-03-19, release date: 2024-09-11) |
Primary citation | Decharuangsilp, S.,Arwon, U.,Sooksai, N.,Rattanajak, R.,Saeyang, T.,Vitsupakorn, D.,Vanichtanankul, J.,Yuthavong, Y.,Kamchonwongpaisan, S.,Hoarau, M. Novel flexible biphenyl Pf DHFR inhibitors with improved antimalarial activity. Rsc Med Chem, 15:2496-2507, 2024 Cited by PubMed: 39026651DOI: 10.1039/d4md00197d PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.4 Å) |
Structure validation
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