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TitleDevelopment of potent and selective indomethacin analogues for the inhibition of AKR1C3 (Type 5 17 beta-hydroxysteroid dehydrogenase/prostaglandin F synthase) in castrate-resistant prostate cancer.
Journal, issue, pagesJ. Med. Chem., Vol. 56, Page 2429-2446, Year 2013
Publish dateJan 16, 2012 (structure data deposition date)
AuthorsLiedtke, A.J. / Adeniji, A.O. / Chen, M. / Byrns, M.C. / Jin, Y. / Christianson, D.W. / Marnett, L.J. / Penning, T.M.
External linksJ. Med. Chem. / PubMed:23432095
MethodsX-ray diffraction
Resolution1.802 Å
Structure data

PDB-4dbw:
Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 2'-desmethyl-indomethacin
Method: X-RAY DIFFRACTION / Resolution: 1.802 Å

Chemicals

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-511:
[1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]acetic acid

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / castrate resistant prostate cancer / AKR1C3 selective inhibitor / TIM Barrel / steroid metabolism / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex

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