8JFB
V1/S quadruple mutant Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with compound 4 (B21588), NADPH and dUMP
Summary for 8JFB
Entry DOI | 10.2210/pdb8jfb/pdb |
Descriptor | Bifunctional dihydrofolate reductase-thymidylate synthase, 3-[4-[[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... (5 entities in total) |
Functional Keywords | dhfr, dihydrofolate reductase, plasmodium falciparum, malaria, oxidoreductase |
Biological source | Plasmodium falciparum (malaria parasite P. falciparum) |
Total number of polymer chains | 2 |
Total formula weight | 146620.27 |
Authors | Vanichtanankul, J.,Saeyang, T.,Vitsupakorn, D.,Saepua, S.,Thongpanchang, C.,Yuthavong, Y.,Kamchonwongpaisan, S.,Hoarau, M. (deposition date: 2023-05-17, release date: 2023-08-23, Last modification date: 2023-10-04) |
Primary citation | Hoarau, M.,Sermmai, P.,Varatthan, T.,Thiabma, R.,Jantra, T.,Rattanajak, R.,Vitsupakorn, D.,Vanichtanankul, J.,Saepua, S.,Yuthavong, Y.,Thongpanchang, C.,Kamchonwongpaisan, S. Discovery of rigid biphenyl Plasmodium falciparum DHFR inhibitors using a fragment linking strategy. Rsc Med Chem, 14:1755-1766, 2023 Cited by PubMed: 37731689DOI: 10.1039/d3md00242j PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.65 Å) |
Structure validation
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