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Structure paper

TitleThree-dimensional structure of M. tuberculosis dihydrofolate reductase reveals opportunities for the design of novel tuberculosis drugs.
Journal, issue, pagesJ. Mol. Biol., Vol. 295, Page 307-323, Year 2000
Publish dateNov 17, 1999 (structure data deposition date)
AuthorsLi, R. / Sirawaraporn, R. / Chitnumsub, P. / Sirawaraporn, W. / Wooden, J. / Athappilly, F. / Turley, S. / Hol, W.G.
External linksJ. Mol. Biol. / PubMed:10623528
MethodsX-ray diffraction
Resolution1.7 - 2 Å
Structure data

PDB-1df7:
DIHYDROFOLATE REDUCTASE OF MYCOBACTERIUM TUBERCULOSIS COMPLEXED WITH NADPH AND METHOTREXATE
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-1dg5:
DIHYDROFOLATE REDUCTASE OF MYCOBACTERIUM TUBERCULOSIS COMPLEXED WITH NADPH AND TRIMETHOPRIM
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-1dg7:
DIHYDROFOLATE REDUCTASE OF MYCOBACTERIUM TUBERCULOSIS COMPLEXED WITH NADPH AND 4-BROMO WR99210
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-1dg8:
DIHYDROFOLATE REDUCTASE OF MYCOBACTERIUM TUBERCULOSIS COMPLEXED WITH NADPH
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-SO4:
SULFATE ION

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

ChemComp-MTX:
METHOTREXATE / chemotherapy*YM

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-TOP:
TRIMETHOPRIM / antibiotic*YM

ChemComp-WRB:
1-[3-(4-BROMO-PHENOXY)-PROPOXY]-6,6-DIMETHYL-1.6-DIHYDRO-[1,3,5]TRIAZINE-2,4-DIAMINE

Source
  • mycobacterium tuberculosis (bacteria)
KeywordsOXIDOREDUCTASE / DIHYDROFOLATE REDUCTASE / STRUCTURE-BASED INHIBITOR DESIGN / FOLATEANALOGS / ROSSMANN FOLD / NICOTINAMIDE ADENINE DINUCLEOTIDE / METHOTREXATE / TUBERCULOSIS / TRIMETHOPRIM / WR99210 / ANTI-MALARIA AGENT

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