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Structure paper

TitleCrystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates.
Journal, issue, pagesActa Crystallogr D Struct Biol, Vol. 75, Page 682-693, Year 2019
Publish dateJan 14, 2019 (structure data deposition date)
AuthorsRibeiro, J.A. / Chavez-Pacheco, S.M. / de Oliveira, G.S. / Silva, C.D.S. / Giudice, J.H.P. / Libreros-Zuniga, G.A. / Dias, M.V.B.
External linksActa Crystallogr D Struct Biol / PubMed:31282477
MethodsX-ray diffraction
Resolution1.523 - 1.8 Å
Structure data

PDB-6nnc:
Structure of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and pemetrexed
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-6nnd:
Structure of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and dihydrofolate
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-6nne:
Crystal structure of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with diaverdine
Method: X-RAY DIFFRACTION / Resolution: 1.595 Å

PDB-6nnh:
Structure of Closed state of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and cycloguanil
Method: X-RAY DIFFRACTION / Resolution: 1.523 Å

PDB-6nni:
Structure of closed state of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and pyrimethamine
Method: X-RAY DIFFRACTION / Resolution: 1.561 Å

Chemicals

ChemComp-NDP:
NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE / Nicotinamide adenine dinucleotide phosphate

ChemComp-CO:
Unknown entry

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 / Pemetrexed

ChemComp-SO4:
SULFATE ION / Sulfate

ChemComp-HOH:
WATER / Water

ChemComp-DHF:
DIHYDROFOLIC ACID / Dihydrofolic acid

ChemComp-KUP:
5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine

ChemComp-1CY:
1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine / inhibitor, antagonist*YM / Cycloguanil

ChemComp-GOL:
GLYCEROL / Glycerol

ChemComp-CP6:
5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE / medication, antiparasitic*YM / Pyrimethamine

ChemComp-MES:
2-(N-MORPHOLINO)-ETHANESULFONIC ACID / pH buffer*YM / MES (buffer)

Source
  • mycobacterium tuberculosis (strain atcc 25618 / h37rv) (bacteria)
  • mycobacterium tuberculosis (strain atcc 25177 / h37ra) (bacteria)
KeywordsBIOSYNTHETIC PROTEIN / antifolate / OXIDOREDUCTASE

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