Entry Database : PDB / ID : 5t0l Structure visualization Downloads & linksTitle 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) ComponentsBifunctional dihydrofolate reductase-thymidylate synthase Details Keywords Oxidoreductase/Oxidoreductase inhibitor / Toxoplasma gondii / DHFR / inhibitor / Oxidoreductase-Oxidoreductase inhibitor complexFunction / homology Function and homology informationFunction Domain/homology Component
thymidylate synthase / thymidylate synthase activity / dTMP biosynthetic process / dihydrofolate reductase / dihydrofolate reductase activity / tetrahydrofolate biosynthetic process / one-carbon metabolic process / methylation / mitochondrion / cytosol Similarity search - Function Bifunctional dihydrofolate reductase/thymidylate synthase / Thymidylate Synthase; Chain A / Thymidylate synthase/dCMP hydroxymethylase domain / Thymidylate synthase/dCMP hydroxymethylase / Thymidylate synthase, active site / Thymidylate synthase active site. / Thymidylate synthase / Thymidylate synthase/dCMP hydroxymethylase domain / Thymidylate synthase/dCMP hydroxymethylase superfamily / Thymidylate synthase ... Bifunctional dihydrofolate reductase/thymidylate synthase / Thymidylate Synthase; Chain A / Thymidylate synthase/dCMP hydroxymethylase domain / Thymidylate synthase/dCMP hydroxymethylase / Thymidylate synthase, active site / Thymidylate synthase active site. / Thymidylate synthase / Thymidylate synthase/dCMP hydroxymethylase domain / Thymidylate synthase/dCMP hydroxymethylase superfamily / Thymidylate synthase / Dihydrofolate Reductase, subunit A / Dihydrofolate Reductase, subunit A / Dihydrofolate reductase conserved site / Dihydrofolate reductase (DHFR) domain signature. / Dihydrofolate reductase domain / Dihydrofolate reductase / Dihydrofolate reductase (DHFR) domain profile. / Dihydrofolate reductase-like domain superfamily / 2-Layer Sandwich / 3-Layer(aba) Sandwich / Alpha Beta Similarity search - Domain/homology Chem-73X / 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID / Chem-NDP / 2'-DEOXYURIDINE 5'-MONOPHOSPHATE / Bifunctional dihydrofolate reductase-thymidylate synthase Similarity search - ComponentBiological species Toxoplasma gondii (eukaryote)Method X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution : 3.13 Å DetailsAuthors Thomas, S.B. / Chen, Z. / Lu, H. / Li, Y. CitationJournal : ACS Med Chem Lett / Year : 2016Title : Discovery of Potent and Selective Leads against Toxoplasma gondii Dihydrofolate Reductase via Structure-Based Design.Authors : Welsch, M.E. / Zhou, J. / Gao, Y. / Yan, Y. / Porter, G. / Agnihotri, G. / Li, Y. / Lu, H. / Chen, Z. / Thomas, S.B. History Deposition Aug 16, 2016 Deposition site : RCSB / Processing site : RCSBRevision 1.0 Sep 28, 2016 Provider : repository / Type : Initial releaseRevision 1.1 Jan 4, 2017 Group : Database referencesRevision 1.2 Nov 22, 2017 Group : Refinement description / Category : softwareRevision 1.3 Oct 4, 2023 Group : Data collection / Database references / Refinement descriptionCategory : chem_comp_atom / chem_comp_bond ... chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model Item : _database_2.pdbx_DOI / _database_2.pdbx_database_accession
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