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; PubMed: 39026651; DOI: 10.1039/d4md00197d

Experimental method

X-RAY DIFFRACTION (2.4 Å)