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TitleHigh-Resolution Structures of Trypanosoma Brucei Pteridine Reductase Ligand Complexes Inform on the Placement of New Molecular Entities in the Active Site of a Potential Drug Target
Journal, issue, pagesActa Crystallogr. ,Sect. D, Vol. 66, Page 1334-, Year 2010
Publish dateMar 18, 2010 (structure data deposition date)
AuthorsDawson, A. / Tulloch, L.B. / Barrack, K.L. / Hunter, W.N.
External linksActa Crystallogr. ,Sect. D / PubMed:21123874
MethodsX-ray diffraction
Resolution1.1 - 1.7 Å
Structure data

PDB-2x9g:
High resolution structure of TbPTR1 in complex with Pemetrexed
Method: X-RAY DIFFRACTION / Resolution: 1.1 Å

PDB-2x9n:
High resolution structure of TbPTR1 in complex with cyromazine
Method: X-RAY DIFFRACTION / Resolution: 1.15 Å

PDB-2x9v:
High resolution structure of TbPTR1 with trimetrexate
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-3mcv:
Structure of PTR1 from Trypanosoma brucei in ternary complex with 2,4-diamino-5-[2-(2,5-dimethoxyphenyl)ethyl]thieno[2,3-d]-pyrimidine and NADP+
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

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-ACT:
ACETATE ION

ChemComp-HOH:
WATER

ChemComp-AX3:
N~2~-cyclopropyl-1,3,5-triazine-2,4,6-triamine

ChemComp-DTD:
DITHIANE DIOL

ChemComp-NA:
Unknown entry

ChemComp-D1D:
(4S,5S)-1,2-DITHIANE-4,5-DIOL

ChemComp-TMQ:
TRIMETREXATE / inhibitor*YM

ChemComp-MCV:
5-[2-(2,5-dimethoxyphenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine

Source
  • trypanosoma brucei brucei (eukaryote)
KeywordsOXIDOREDUCTASE / SHORT CHAIN DEHYDROGENASE / Pteridine reductase / antifolate

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