4DBU
Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 3-((4 -(trifluoromethyl)phenyl)amino)benzoic acid
Summary for 4DBU
Entry DOI | 10.2210/pdb4dbu/pdb |
Related | 4DBS |
Descriptor | Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 3-{[4-(trifluoromethyl)phenyl]amino}benzoic acid, ... (4 entities in total) |
Functional Keywords | castrate resistant prostate cancer, akr1c3 selective inhibitor, tim barrel, steroid metabolism, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor |
Biological source | Homo sapiens (human) |
Cellular location | Cytoplasm: P42330 |
Total number of polymer chains | 2 |
Total formula weight | 75841.70 |
Authors | Chen, M.,Christianson, D.W.,Winkler, J.D.,Penning, T.M. (deposition date: 2012-01-16, release date: 2012-03-28, Last modification date: 2023-09-13) |
Primary citation | Chen, M.,Adeniji, A.O.,Twenter, B.M.,Winkler, J.D.,Christianson, D.W.,Penning, T.M. Crystal structures of AKR1C3 containing an N-(aryl)amino-benzoate inhibitor and a bifunctional AKR1C3 inhibitor and androgen receptor antagonist. Therapeutic leads for castrate resistant prostate cancer. Bioorg.Med.Chem.Lett., 22:3492-3497, 2012 Cited by PubMed: 22507964DOI: 10.1016/j.bmcl.2012.03.085 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.528 Å) |
Structure validation
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