4EXB
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4F40
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4FAM
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![BU of 4fam by Molmil](/molmil-images/mine/4fam) | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzoic acid (17) | Descriptor: | 1,2-ETHANEDIOL, 3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acid, Aldo-keto reductase family 1 member C3, ... | Authors: | Turnbull, A.P, Jamieson, S.M.F, Brooke, D.G, Heinrich, D, Atwell, G.J, Silva, S, Hamilton, E.J, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Flanagan, J.U, Denny, W.A. | Deposit date: | 2012-05-22 | Release date: | 2012-10-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acids; a New Class of Highly Potent and Selective Inhibitors of the Type 5 17-beta-hydroxysteroid Dehydrogenase AKR1C3 J.Med.Chem., 55, 2012
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4FAL
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![BU of 4fal by Molmil](/molmil-images/mine/4fal) | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-methylbenzamide (80) | Descriptor: | 1,2-ETHANEDIOL, 3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-N-methylbenzamide, Aldo-keto reductase family 1 member C3, ... | Authors: | Turnbull, A.P, Jamieson, S.M.F, Brooke, D.G, Heinrich, D, Atwell, G.J, Silva, S, Hamilton, E.J, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Flanagan, J.U, Denny, W.A. | Deposit date: | 2012-05-22 | Release date: | 2012-10-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acids; a New Class of Highly Potent and Selective Inhibitors of the Type 5 17-beta-hydroxysteroid Dehydrogenase AKR1C3 J.Med.Chem., 55, 2012
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3BCJ
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![BU of 3bcj by Molmil](/molmil-images/mine/3bcj) | Crystal structure of Aldose Reductase complexed with 2S4R (Stereoisomer of Fidarestat, 2S4S) at 0.78 A | Descriptor: | (2S,4R)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, CITRIC ACID, ... | Authors: | Zhao, H.T, El-Kabbani, O. | Deposit date: | 2007-11-13 | Release date: | 2008-04-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (0.78 Å) | Cite: | Unusual Binding Mode of the 2S4R Stereoisomer of the Potent Aldose Reductase Cyclic Imide Inhibitor Fidarestat (2S4S) in the 15 K Crystal Structure of the Ternary Complex Refined at 0.78 A Resolution: Implications for the Inhibition Mechanism J.Med.Chem., 51, 2008
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7UTF
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![BU of 7utf by Molmil](/molmil-images/mine/7utf) | Structure-Function characterization of an aldo-keto reductase involved in detoxification of the mycotoxin, deoxynivalenol | Descriptor: | CITRATE ANION, Putative oxidoreductase, aryl-alcohol dehydrogenase like protein, ... | Authors: | Abraham, N, Schroeter, K.L, Kimber, M.S, Seah, S.Y.K. | Deposit date: | 2022-04-26 | Release date: | 2022-09-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-function characterization of an aldo-keto reductase involved in detoxification of the mycotoxin, deoxynivalenol. Sci Rep, 12, 2022
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3B3D
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![BU of 3b3d by Molmil](/molmil-images/mine/3b3d) | B.subtilis YtbE | Descriptor: | CALCIUM ION, Putative morphine dehydrogenase | Authors: | Zhou, Y.F, Li, L.F, Liang, Y.H, Su, X.-D. | Deposit date: | 2007-10-20 | Release date: | 2008-10-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and biochemical analyses of YvgN and YtbE from Bacillus subtilis Protein Sci., 18, 2009
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3BV7
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![BU of 3bv7 by Molmil](/molmil-images/mine/3bv7) | Crystal structure of Delta(4)-3-ketosteroid 5-beta-reductase in complex with NADP and glycerol. Resolution: 1.79 A. | Descriptor: | 3-oxo-5-beta-steroid 4-dehydrogenase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Di Costanzo, L, Drury, J, Penning, T.M, Christianson, D.W. | Deposit date: | 2008-01-04 | Release date: | 2008-04-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Crystal Structure of Human Liver {Delta}4-3-Ketosteroid 5{beta}-Reductase (AKR1D1) and Implications for Substrate Binding and Catalysis. J.Biol.Chem., 283, 2008
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3CAQ
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![BU of 3caq by Molmil](/molmil-images/mine/3caq) | Crystal structure of 5beta-reductase (AKR1D1) in complex with NADPH | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3-oxo-5-beta-steroid 4-dehydrogenase, ... | Authors: | Faucher, F, Cantin, L, Breton, R. | Deposit date: | 2008-02-20 | Release date: | 2008-12-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structures of Human Delta4-3-Ketosteroid 5beta-Reductase (AKR1D1) Reveal the Presence of an Alternative Binding Site Responsible for Substrate Inhibition (dagger) (,) (double dagger). Biochemistry, 47, 2008
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3BUV
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![BU of 3buv by Molmil](/molmil-images/mine/3buv) | Crystal structure of human Delta(4)-3-ketosteroid 5-beta-reductase in complex with NADP and HEPES. Resolution: 1.35 A. | Descriptor: | 3-oxo-5-beta-steroid 4-dehydrogenase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ... | Authors: | Di Costanzo, L, Drury, J, Penning, T.M, Christianson, D.W. | Deposit date: | 2008-01-03 | Release date: | 2008-04-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Crystal Structure of Human Liver {Delta}4-3-Ketosteroid 5{beta}-Reductase (AKR1D1) and Implications for Substrate Binding and Catalysis. J.Biol.Chem., 283, 2008
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3C3U
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![BU of 3c3u by Molmil](/molmil-images/mine/3c3u) | Crystal structure of AKR1C1 in complex with NADP and 3,5-dichlorosalicylic acid | Descriptor: | 3,5-dichloro-2-hydroxybenzoic acid, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Dhagat, U, El-Kabbani, O. | Deposit date: | 2008-01-28 | Release date: | 2008-08-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Selectivity determinants of inhibitor binding to human 20alpha-hydroxysteroid dehydrogenase: crystal structure of the enzyme in ternary complex with coenzyme and the potent inhibitor 3,5-dichlorosalicylic acid J.Med.Chem., 51, 2008
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7W1W
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![BU of 7w1w by Molmil](/molmil-images/mine/7w1w) | NADPH-bound AKR4C17 mutant F291D | Descriptor: | AKR4-2, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Li, H, Yang, Y, Hu, Y, Chen, C.-C, Huang, J.-W, Min, J, Dai, L, Guo, R.-T. | Deposit date: | 2021-11-21 | Release date: | 2022-07-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structural analysis and engineering of aldo-keto reductase from glyphosate-resistant Echinochloa colona J Hazard Mater, 436, 2022
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7W1X
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![BU of 7w1x by Molmil](/molmil-images/mine/7w1x) | Crystal structure of AKR4C16 bound with NADPH | Descriptor: | AKR4-1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Li, H, Yang, Y, Hu, Y, Chen, C.-C, Huang, J.-W, Min, J, Dai, L, Guo, R.-T. | Deposit date: | 2021-11-21 | Release date: | 2022-07-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural analysis and engineering of aldo-keto reductase from glyphosate-resistant Echinochloa colona J Hazard Mater, 436, 2022
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7WQR
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![BU of 7wqr by Molmil](/molmil-images/mine/7wqr) | Crystal structure of Aldo-keto reductase 1C3 complexed with compound 28 | Descriptor: | Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ~{N}-(3-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide | Authors: | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Sun, H, Fang, P. | Deposit date: | 2022-01-25 | Release date: | 2023-01-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.124 Å) | Cite: | Development of highly potent and specific AKR1C3 inhibitors to restore the chemosensitivity of drug-resistant breast cancer. Eur.J.Med.Chem., 247, 2022
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7WQS
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![BU of 7wqs by Molmil](/molmil-images/mine/7wqs) | Crystal structure of Aldo-keto reductase 1C3 complexed with compound 25 | Descriptor: | 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(3-methoxyphenyl)benzamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Sun, H, Fang, P. | Deposit date: | 2022-01-26 | Release date: | 2023-01-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Development of highly potent and specific AKR1C3 inhibitors to restore the chemosensitivity of drug-resistant breast cancer. Eur.J.Med.Chem., 247, 2022
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7WQM
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![BU of 7wqm by Molmil](/molmil-images/mine/7wqm) | Crystal structure of Aldo-keto reductase 1C3 complexed with compound 24 | Descriptor: | 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(2-methoxyphenyl)benzamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Sun, H, Fang, P. | Deposit date: | 2022-01-25 | Release date: | 2023-01-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Development of highly potent and specific AKR1C3 inhibitors to restore the chemosensitivity of drug-resistant breast cancer. Eur.J.Med.Chem., 247, 2022
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3BUR
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7X3O
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![BU of 7x3o by Molmil](/molmil-images/mine/7x3o) | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07054 | Descriptor: | (2~{R})-2-(3-fluoranyl-4-pyrimidin-5-yl-phenyl)butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H. | Deposit date: | 2022-03-01 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07054 To Be Published
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7X3M
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![BU of 7x3m by Molmil](/molmil-images/mine/7x3m) | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07045 | Descriptor: | (2~{R})-2-[4-[3,5-bis(chloranyl)phenyl]-3-(trifluoromethyl)phenyl]butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H. | Deposit date: | 2022-03-01 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.694 Å) | Cite: | Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment. J.Med.Chem., 66, 2023
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7X3L
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![BU of 7x3l by Molmil](/molmil-images/mine/7x3l) | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07044 | Descriptor: | (2~{R})-2-[4-(3-fluoranyl-4-methyl-phenyl)-3-(trifluoromethyl)phenyl]butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H. | Deposit date: | 2022-03-01 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment. J.Med.Chem., 66, 2023
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3CAS
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![BU of 3cas by Molmil](/molmil-images/mine/3cas) | Crystal structure of 5beta-reductase (AKR1D1) in complex with NADP+ and 4-androstenedione | Descriptor: | 1,2-ETHANEDIOL, 3-oxo-5-beta-steroid 4-dehydrogenase, 4-ANDROSTENE-3-17-DIONE, ... | Authors: | Faucher, F, Cantin, L, Breton, R. | Deposit date: | 2008-02-20 | Release date: | 2008-12-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of Human Delta4-3-Ketosteroid 5beta-Reductase (AKR1D1) Reveal the Presence of an Alternative Binding Site Responsible for Substrate Inhibition (dagger) (,) (double dagger). Biochemistry, 47, 2008
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3CAV
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![BU of 3cav by Molmil](/molmil-images/mine/3cav) | Crystal structure of 5beta-reductase (AKR1D1) in complex with NADP+ and 5beta-pregnan-3,20-dione | Descriptor: | (5BETA)-PREGNANE-3,20-DIONE, 1,2-ETHANEDIOL, 3-oxo-5-beta-steroid 4-dehydrogenase, ... | Authors: | Faucher, F, Cantin, L, Breton, R. | Deposit date: | 2008-02-20 | Release date: | 2008-07-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structure of human Delta4-3-ketosteroid 5beta-reductase defines the functional role of the residues of the catalytic tetrad in the steroid double bond reduction mechanism. Biochemistry, 47, 2008
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3CV6
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![BU of 3cv6 by Molmil](/molmil-images/mine/3cv6) | The crystal structure of mouse 17-alpha hydroxysteroid dehydrogenase GG225.226PP mutant in complex with inhibitor and cofactor NADP+. | Descriptor: | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol, Aldo-keto reductase family 1 member C21, BETA-MERCAPTOETHANOL, ... | Authors: | Dhagat, U, El-Kabbani, O. | Deposit date: | 2008-04-17 | Release date: | 2009-03-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of the G225P/G226P mutant of mouse 3(17)alpha-hydroxysteroid dehydrogenase (AKR1C21) ternary complex: implications for the binding of inhibitor and substrate. Acta Crystallogr.,Sect.D, 65, 2009
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3D3F
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1MZR
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![BU of 1mzr by Molmil](/molmil-images/mine/1mzr) | Structure of dkga from E.coli at 2.13 A resolution solved by molecular replacement | Descriptor: | 2,5-diketo-D-gluconate reductase A, GLYCEROL, PHOSPHATE ION | Authors: | Abergel, C, Jeudy, S, Monchois, V, Claverie, J.M, Bacterial targets at IGS-CNRS, France (BIGS) | Deposit date: | 2002-10-09 | Release date: | 2003-10-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Crystal structure of Escherichia coli DkgA, a broad-specificity aldo-keto reductase. Proteins, 62, 2006
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