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TitleNew insights into DHFR interactions: analysis of Pneumocystis carinii and mouse DHFR complexes with NADPH and two highly potent 5-(omega-carboxy(alkyloxy) trimethoprim derivatives reveals conformational correlations with activity and novel parallel ring stacking interactions.
Journal, issue, pagesProteins, Vol. 65, Page 959-969, Year 2006
Publish dateFeb 9, 2006 (structure data deposition date)
AuthorsCody, V. / Pace, J. / Chisum, K. / Rosowsky, A.
External linksProteins / PubMed:17019704
MethodsX-ray diffraction
Resolution1.6 - 2.1 Å
Structure data

PDB-2fzh:
New Insights into Dihydrofolate Reductase Interactions: Analysis of Pneumocystis carinii and Mouse DHFR Complexes with NADPH and Two Highly Potent Trimethoprim Derivatives
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-2fzi:
New Insights into DHFR Interactions: Analysis of Pneumocystis carinii and Mouse DHFR Complexes with NADPH and Two Highly Potent Trimethoprim Derivatives
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-2fzj:
New Insights into DHFR Interactions: Analysis of Pneumocystis carinii and Mouse DHFR Complexes with NADPH and Two Highly Potent Trimethoprim Derivatives
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

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

ChemComp-DH1:
2,4-DIAMINO-5-[2-METHOXY-5-(4-CARBOXYBUTYLOXY)BENZYL]PYRIMIDINE

ChemComp-HOH:
WATER

ChemComp-DH3:
2,4-DIAMINO-5-[3',4'-DIMETHOXY-5'-(5-CARBOXYL-1-PENTYNYL)]BENZYL PYRIMIDINE

Source
  • pneumocystis carinii (fungus)
  • mus musculus (house mouse)
KeywordsOXIDOREDUCTASE / dihydrofolate reductase / Trimethoprim derivatives / ring stacking interactions

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