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Structure paper

TitleInhibitor-bound complexes of dihydrofolate reductase-thymidylate synthase from Babesia bovis.
Journal, issue, pagesActa Crystallogr. ,Sect. F, Vol. 67, Page 1070-1077, Year 2011
Publish dateJun 30, 2009 (structure data deposition date)
AuthorsBegley, D.W. / Edwards, T.E. / Raymond, A.C. / Smith, E.R. / Hartley, R.C. / Abendroth, J. / Sankaran, B. / Lorimer, D.D. / Myler, P.J. / Staker, B.L. / Stewart, L.J.
External linksActa Crystallogr. ,Sect. F / PubMed:21904052
MethodsX-ray diffraction
Resolution1.8 - 2.35 Å
Structure data

PDB-3i3r:
X-ray structure dihydrofolate reductase/thymidylate synthase from babesia bovis at 2.35A resolution
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

PDB-3k2h:
Co-crystal structure of dihydrofolate reductase/thymidylate synthase from Babesia bovis with dUMP, Pemetrexed and NADP
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-3nrr:
Co-crystal structure of dihydrofolate reductase-thymidylate synthase from Babesia bovis with dUMP, Raltitrexed and NADP
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

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

ChemComp-LYA:
2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID / medication, chemotherapy*YM

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-D16:
TOMUDEX / chemotherapy, inhibitor*YM

ChemComp-GOL:
GLYCEROL

ChemComp-PO4:
PHOSPHATE ION

Source
  • babesia bovis (eukaryote)
KeywordsTRANSFERASE / SSGCID / babesia bovis / dihydrofolate reductase / thymidylate synthase / Methyltransferase / Structural Genomics / Seattle Structural Genomics Center for Infectious Disease / NIAID / Alimta / folic acid analog / thyA / folate antimetabolites / tic-borne parasitic protozoan / babesiosis / malaria-like disease / DHFR / TS / oxidoreductase / dUMP / NADP / Raltitrexed / Tomudex

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