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Structure paper

TitleDiscovery of potent and selective inhibitors of Toxoplasma gondii thymidylate synthase for opportunistic infections.
Journal, issue, pagesACS Med Chem Lett, Vol. 4, Page 1148-1151, Year 2013
Publish dateMay 28, 2013 (structure data deposition date)
AuthorsZaware, N. / Sharma, H. / Yang, J. / Devambatla, R.K. / Queener, S.F. / Anderson, K.S. / Gangjee, A.
External linksACS Med Chem Lett / PubMed:24470841
MethodsX-ray diffraction
Resolution2.79 - 3.263 Å
Structure data

PDB-4ky4:
Crystal structure of non-classical TS inhibitor 2 in complex with Toxoplasma gondii TS-DHFR
Method: X-RAY DIFFRACTION / Resolution: 2.79 Å

PDB-4kya:
Crystal structure of non-classical TS inhibitor 3 in complex with Toxoplasma gondii TS-DHFR
Method: X-RAY DIFFRACTION / Resolution: 3.263 Å

Chemicals

ChemComp-UMP:
2'-DEOXYURIDINE 5'-MONOPHOSPHATE

ChemComp-04J:
Aminopterin / chemotherapy, antineoplastic*YM

ChemComp-NDP:
NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-1UE:
2-amino-5-(phenylsulfanyl)-3,9-dihydro-4H-pyrimido[4,5-b]indol-4-one

ChemComp-1UG:
2-Amino-5-(1-naphthylsulfanyl)-3,9-dihydro-4H-pyrimido[4,5-b]indol-4-one

ChemComp-FOL:
FOLIC ACID

Source
  • toxoplasma gondii (eukaryote)
KeywordsOXIDOREDUCTASE / TRANSFERASE / synthase / bifunctional / TRANSFERASE/INHIBITOR / chimera protein / TRANSFERASE-INHIBITOR complex

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