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TitleHuman dihydrofolate reductase ternary complex with a series of fluorine substituted 5-methyl-6-(4'-methoxyphenythio)[2,3-d]pyrrolo-7-ethyl-2,4-diamines
Journal, issue, pagesTo Be Published
Publish dateJan 26, 2016 (structure data deposition date)
AuthorsCody, V. / Gangjee, A.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.46 - 1.9 Å
Structure data

PDB-5ht4:
6-substituted pyrrolo[2,3-d]pyrimidine 6-thieno-(4-methoxyphenyl)
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-5ht5:
6-substituted pyrrolo[2,3-d]pyrimidine 6-thieno-(4-methoxyphenyl)
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-5hve:
5-methyl-6-(3'-trifluromethoxyphenylthio)[2,3-d]pyrimidine 2,4-diamine
Method: X-RAY DIFFRACTION / Resolution: 1.46 Å

Chemicals

ChemComp-65J:
7-ethyl-6-[(3-methoxyphenyl)sulfanyl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

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

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-65H:
6-[(4-methoxyphenyl)sulfanyl]-5,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

ChemComp-65Q:
5-methyl-6-{[3-(trifluoromethoxy)phenyl]sulfanyl}thieno[2,3-d]pyrimidine-2,4-diamine

Source
  • homo sapiens (human)
Keywordsoxidoreductase/oxidoreductase inhibitor / dihydrofolate reductase inhibitor complex with NADPH / oxidoreductase-oxidoreductase inhibitor complex

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