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TitleBreakdown product of N-(tert-butyl)-2-(2-chloro-4-(((3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)amino)methyl)-6-methoxyphenoxy)acetamide trapped in active site of AKR1C3
Journal, issue, pagesTo Be Published
Publish dateOct 24, 2014 (structure data deposition date)
AuthorsYosaatmadja, Y. / Ko, R.-W. / Flanagan, J.U. / Squire, C.J.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.6 Å
Structure data

PDB-4wrh:
AKR1C3 complexed with breakdown product of N-(tert-butyl)-2-(2-chloro-4-(((3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)amino)methyl)-6-methoxyphenoxy)acetamide
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

Chemicals

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-YY2:
2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-tert-butylacetamide

ChemComp-YY1:
5-methyl-4H-1,2,4-triazole-3-thiol

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / oxidoreductase / inhibitor / complex / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex

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