7CTW

Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with fragment 820, NADPH, dUMP

Summary for 7CTW

Entry DOI	10.2210/pdb7ctw/pdb
Descriptor	Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 1-(2-methylsulfanylphenyl)piperazine, ... (5 entities in total)
Functional Keywords	anti-folate, anti-malarial, plasmodium falciparum, dihydrofolate reductase, fragment, antibiotic, oxidoreductase
Biological source	Plasmodium falciparum (malaria parasite P. falciparum)
Total number of polymer chains	2
Total formula weight	145450.14
Authors	Vanichtanankul, J.,Vitsupakorn, D. (deposition date: 2020-08-20, release date: 2021-04-28, Last modification date: 2023-11-29)
Primary citation	Hoarau, M.,Vanichtanankul, J.,Srimongkolpithak, N.,Vitsupakorn, D.,Yuthavong, Y.,Kamchonwongpaisan, S. Discovery of new non-pyrimidine scaffolds as Plasmodium falciparum DHFR inhibitors by fragment-based screening. J Enzyme Inhib Med Chem, 36:198-206, 2021 Cited by PubMed: 33530764 DOI: 10.1080/14756366.2020.1854244 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.51 Å)

Structure validation