6GXK

Crystal structure of Aldo-Keto Reductase 1C3 (AKR1C3) complexed with inhibitor.

Summary for 6GXK

Entry DOI	10.2210/pdb6gxk/pdb
Descriptor	Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 4-[[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]methyl]-1,2,5-oxadiazol-3-one, ... (5 entities in total)
Functional Keywords	aldo-keto reductase 1c3, akr1c3, 17betahsd5, prostate cancer, crpc, bioisosterism, scaffold hopping, inhibitors, oxidoreductase
Biological source	Homo sapiens (Human)
Total number of polymer chains	2
Total formula weight	76323.14
Authors	Goyal, P.,Wahlgren, W.Y.,Friemann, R. (deposition date: 2018-06-27, release date: 2019-05-08, Last modification date: 2019-11-20)
Primary citation	Lolli, M.L.,Carnovale, I.M.,Pippione, A.C.,Wahlgren, W.Y.,Bonanni, D.,Marini, E.,Zonari, D.,Gallicchio, M.,Boscaro, V.,Goyal, P.,Friemann, R.,Rolando, B.,Bagnati, R.,Adinolfi, S.,Oliaro-Bosso, S.,Boschi, D. Bioisosteres of Indomethacin as Inhibitors of Aldo-Keto Reductase 1C3. Acs Med.Chem.Lett., 10:437-443, 2019 Cited by PubMed: 30996776 DOI: 10.1021/acsmedchemlett.8b00484 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.7 Å)

Structure validation