5T0L
Crystal structure of Toxoplasma gondii TS-DHFR complexed with NADPH, dUMP, PDDF and 5-(4-(3,4-dichlorophenyl)piperazin-1-yl)pyrimidine-2,4-diamine (TRC-15)
Summary for 5T0L
Entry DOI | 10.2210/pdb5t0l/pdb |
Descriptor | Bifunctional dihydrofolate reductase-thymidylate synthase, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... (5 entities in total) |
Functional Keywords | toxoplasma gondii, dhfr, inhibitor, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor |
Biological source | Toxoplasma gondii |
Total number of polymer chains | 2 |
Total formula weight | 132169.21 |
Authors | Thomas, S.B.,Chen, Z.,Lu, H.,Li, Y. (deposition date: 2016-08-16, release date: 2016-09-28, Last modification date: 2023-10-04) |
Primary citation | Welsch, M.E.,Zhou, J.,Gao, Y.,Yan, Y.,Porter, G.,Agnihotri, G.,Li, Y.,Lu, H.,Chen, Z.,Thomas, S.B. Discovery of Potent and Selective Leads against Toxoplasma gondii Dihydrofolate Reductase via Structure-Based Design. ACS Med Chem Lett, 7:1124-1129, 2016 Cited by PubMed: 27994750DOI: 10.1021/acsmedchemlett.6b00328 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (3.13 Å) |
Structure validation
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