4GQG
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![BU of 4gqg by Molmil](/molmil-images/mine/4gqg) | Crystal structure of AKR1B10 complexed with NADP+ | Descriptor: | Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zhang, L, Zheng, X, Chen, S, Zhai, J, Hu, X. | Deposit date: | 2012-08-23 | Release date: | 2013-08-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111) Febs Lett., 587, 2013
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2HEJ
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![BU of 2hej by Molmil](/molmil-images/mine/2hej) | Crystal structure of 17alpha-hydroxysteroid dehydrogenase in complex with NADP(H) in a closed conformation | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, Aldo-keto reductase family 1, ... | Authors: | Faucher, F, Pereira de Jesus-Tran, K, Cantin, L, Luu-the, V, Labrie, F, Breton, R. | Deposit date: | 2006-06-21 | Release date: | 2006-12-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Crystal Structures of Mouse 17alpha-Hydroxysteroid Dehydrogenase (Apoenzyme and Enzyme-NADP(H) Binary Complex): Identification of Molecular Determinants Responsible for the Unique 17alpha-reductive Activity of this Enzyme. J.Mol.Biol., 364, 2006
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2HE8
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![BU of 2he8 by Molmil](/molmil-images/mine/2he8) | Crystal structure of 17alpha-hydroxysteroid dehydrogenase in its apo-form | Descriptor: | ACETATE ION, Aldo-keto reductase family 1, member C21, ... | Authors: | Faucher, F, Pereira de Jesus-Tran, K, Cantin, L, Luu-the, V, Labrie, F, Breton, R. | Deposit date: | 2006-06-21 | Release date: | 2006-12-05 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structures of Mouse 17alpha-Hydroxysteroid Dehydrogenase (Apoenzyme and Enzyme-NADP(H) Binary Complex): Identification of Molecular Determinants Responsible for the Unique 17alpha-reductive Activity of this Enzyme. J.Mol.Biol., 364, 2006
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2HDJ
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![BU of 2hdj by Molmil](/molmil-images/mine/2hdj) | Crystal structure of human type 3 3alpha-hydroxysteroid dehydrogenase in complex with NADP(H) | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C2, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Faucher, F, Pereira de Jesus-Tran, K, Cantin, L, Luu-the, V, Labrie, F, Breton, R. | Deposit date: | 2006-06-20 | Release date: | 2006-12-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of Mouse 17alpha-Hydroxysteroid Dehydrogenase (Apoenzyme and Enzyme-NADP(H) Binary Complex): Identification of Molecular Determinants Responsible for the Unique 17alpha-reductive Activity of this Enzyme. J.Mol.Biol., 364, 2006
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2HE5
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![BU of 2he5 by Molmil](/molmil-images/mine/2he5) | Crystal structure of 17alpha-hydroxysteroid dehydrogenase in binary complex with NADP(H) in an open conformation | Descriptor: | ACETATE ION, Aldo-keto reductase family 1, member C21, ... | Authors: | Faucher, F, Pereira de Jesus-Tran, K, Cantin, L, Luu-the, V, Labrie, F, Breton, R. | Deposit date: | 2006-06-21 | Release date: | 2006-12-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structures of Mouse 17alpha-Hydroxysteroid Dehydrogenase (Apoenzyme and Enzyme-NADP(H) Binary Complex): Identification of Molecular Determinants Responsible for the Unique 17alpha-reductive Activity of this Enzyme. J.Mol.Biol., 364, 2006
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4H7C
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![BU of 4h7c by Molmil](/molmil-images/mine/4h7c) | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 1-{4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl}-2-pyrrolidinone | Descriptor: | 1-(4-{[(2R)-2-methylpiperidin-1-yl]sulfonyl}phenyl)-1,3-dihydro-2H-pyrrol-2-one, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Turnbull, A.P, Heinrich, D, Jamieson, S.M.F, Flanagan, J.U, Silva, S, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Denny, W.A. | Deposit date: | 2012-09-20 | Release date: | 2013-03-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Synthesis and structure-activity relationships for 1-(4-(piperidin-1-ylsulfonyl)phenyl)pyrrolidin-2-ones as novel non-carboxylate inhibitors of the aldo-keto reductase enzyme AKR1C3. Eur.J.Med.Chem., 62C, 2013
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2HV5
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![BU of 2hv5 by Molmil](/molmil-images/mine/2hv5) | Human Aldose Reductase complexed with inhibitor zopolrestat after three days soaking (3days_soaked_3) | Descriptor: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Steuber, H, Heine, A, Klebe, G. | Deposit date: | 2006-07-27 | Release date: | 2006-10-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Expect the unexpected or caveat for drug designers: multiple structure determinations using aldose reductase crystals treated under varying soaking and co-crystallisation conditions. J.Mol.Biol., 363, 2006
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2HVN
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![BU of 2hvn by Molmil](/molmil-images/mine/2hvn) | Human Aldose Reductase-zopolrestat complex obtained by cocrystallisation after one day (1day_cocryst) | Descriptor: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Steuber, H, Heine, A, Klebe, G. | Deposit date: | 2006-07-29 | Release date: | 2006-10-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Expect the unexpected or caveat for drug designers: multiple structure determinations using aldose reductase crystals treated under varying soaking and co-crystallisation conditions. J.Mol.Biol., 363, 2006
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2HVO
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![BU of 2hvo by Molmil](/molmil-images/mine/2hvo) | Human Aldose Reductase-zopolrestat complex obtained by cocrystallisation (10days_cocryst) | Descriptor: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Steuber, H, Heine, A, Klebe, G. | Deposit date: | 2006-07-29 | Release date: | 2006-10-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Expect the unexpected or caveat for drug designers: multiple structure determinations using aldose reductase crystals treated under varying soaking and co-crystallisation conditions. J.Mol.Biol., 363, 2006
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2I17
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![BU of 2i17 by Molmil](/molmil-images/mine/2i17) | Human aldose reductase in complex with NADP+ and the inhibitor IDD594 at temperature of 60K | Descriptor: | Aldose reductase, CITRIC ACID, IDD594, ... | Authors: | Petrova, T, Ginell, S, Mitshler, A, Hasemann, I, Schneider, T, Cousido, A, Lunin, V.Y, Joachimiak, A, Podjarny, A. | Deposit date: | 2006-08-13 | Release date: | 2006-08-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (0.81 Å) | Cite: | Ultrahigh-resolution study of protein atomic displacement parameters at cryotemperatures obtained with a helium cryostat. Acta Crystallogr.,Sect.D, 62, 2006
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2I16
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![BU of 2i16 by Molmil](/molmil-images/mine/2i16) | Human aldose reductase in complex with NADP+ and the inhibitor IDD594 at temperature of 15K | Descriptor: | Aldose reductase, CITRIC ACID, IDD594, ... | Authors: | Petrova, T, Ginell, S, Mitshler, A, Hasemann, I, Schneider, T, Cousido, A, Lunin, V.Y, Joachimiak, A, Podjarny, A. | Deposit date: | 2006-08-13 | Release date: | 2006-08-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (0.81 Å) | Cite: | Ultrahigh-resolution study of protein atomic displacement parameters at cryotemperatures obtained with a helium cryostat. Acta Crystallogr.,Sect.D, 62, 2006
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3UZW
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![BU of 3uzw by Molmil](/molmil-images/mine/3uzw) | |
3UZY
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![BU of 3uzy by Molmil](/molmil-images/mine/3uzy) | Crystal structure of 5beta-reductase (AKR1D1) E120H mutant in complex with NADP+ and 5beta-dihydrotestosterone | Descriptor: | 3-oxo-5-beta-steroid 4-dehydrogenase, 5-beta-DIHYDROTESTOSTERONE, CHLORIDE ION, ... | Authors: | Chen, M, Christianson, D.W, Penning, T.M. | Deposit date: | 2011-12-07 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.832 Å) | Cite: | Conversion of Human Steroid 5beta-Reductase (AKR1D1) into 3β-Hydroxysteroid Dehydrogenase by Single Point Mutation E120H: EXAMPLE OF PERFECT ENZYME ENGINEERING. J.Biol.Chem., 287, 2012
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3V35
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![BU of 3v35 by Molmil](/molmil-images/mine/3v35) | Aldose reductase complexed with a nitro compound | Descriptor: | 2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate, Aldose reductase, DIMETHYLFORMAMIDE, ... | Authors: | Zheng, X, Zhang, L, Chen, Y, Luo, H, Hu, X. | Deposit date: | 2011-12-13 | Release date: | 2012-08-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Partial inhibition of aldose reductase by nitazoxanide and its molecular basis. Chemmedchem, 7, 2012
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3S3G
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![BU of 3s3g by Molmil](/molmil-images/mine/3s3g) | Crystal Structure of Human Aldose Reductase Complexed with Tolmetin | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Tolmetin | Authors: | Zheng, X, Chen, J, Luo, H, Hu, X. | Deposit date: | 2011-05-18 | Release date: | 2012-04-04 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase. Febs Lett., 586, 2012
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3T42
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![BU of 3t42 by Molmil](/molmil-images/mine/3t42) | Human aldose reductase in complex with a nitrile-containing IDD inhibitor | Descriptor: | Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Xu, L, Cohen, A.E, Boxer, S.G. | Deposit date: | 2011-07-25 | Release date: | 2011-10-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Electrostatic Fields near the Active Site of Human Aldose Reductase: 2. New Inhibitors and Complications Caused by Hydrogen Bonds. Biochemistry, 50, 2011
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3V0S
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![BU of 3v0s by Molmil](/molmil-images/mine/3v0s) | Crystal Structure of Perakine Reductase, Founder Member of a Novel AKR Subfamily with Unique Conformational Changes during NADPH Binding | Descriptor: | 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, Perakine reductase | Authors: | Sun, L, Chen, Y, Rajendran, C, Panjikar, S, Mueller, U, Wang, M, Rosenthal, C, Mindnich, R, Penning, T.M, Stoeckigt, J. | Deposit date: | 2011-12-08 | Release date: | 2012-02-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.773 Å) | Cite: | Crystal structure of perakine reductase, founding member of a novel aldo-keto reductase (AKR) subfamily that undergoes unique conformational changes during NADPH binding. J.Biol.Chem., 287, 2012
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3UYI
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![BU of 3uyi by Molmil](/molmil-images/mine/3uyi) | Crystal Structure of Perakine Reductase, Founder Member of a Novel AKR Subfamily with Unique Conformational Changes during NADPH Binding | Descriptor: | Perakine reductase | Authors: | Sun, L, Chen, Y, Rajendran, C, Panjikar, S, Mueller, U, Wang, M, Rosenthal, C, Mindnich, R, Penning, T.M, Stoeckigt, J. | Deposit date: | 2011-12-06 | Release date: | 2012-02-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.313 Å) | Cite: | Crystal structure of perakine reductase, founding member of a novel aldo-keto reductase (AKR) subfamily that undergoes unique conformational changes during NADPH binding. J.Biol.Chem., 287, 2012
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3UZX
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![BU of 3uzx by Molmil](/molmil-images/mine/3uzx) | Crystal structure of 5beta-reductase (AKR1D1) E120H mutant in complex with NADP+ and epiandrosterone | Descriptor: | (3Beta,5alpha)-3-Hydroxyandrostan-17-one, 3-oxo-5-beta-steroid 4-dehydrogenase, 5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL, ... | Authors: | Chen, M, Christianson, D.W, Penning, T.M. | Deposit date: | 2011-12-07 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.637 Å) | Cite: | Conversion of Human Steroid 5beta-Reductase (AKR1D1) into 3β-Hydroxysteroid Dehydrogenase by Single Point Mutation E120H: EXAMPLE OF PERFECT ENZYME ENGINEERING. J.Biol.Chem., 287, 2012
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3UWE
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![BU of 3uwe by Molmil](/molmil-images/mine/3uwe) | AKR1C3 complexed with 3-phenoxybenzoic acid | Descriptor: | 1,2-ETHANEDIOL, 3-phenoxybenzoic acid, Aldo-keto reductase family 1 member C3, ... | Authors: | Jackson, V.J, Yosaatmadja, Y, Flanagan, J.U, Squire, C.J. | Deposit date: | 2011-12-01 | Release date: | 2012-04-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Structure of AKR1C3 with 3-phenoxybenzoic acid bound Acta Crystallogr.,Sect.F, 68, 2012
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3UZZ
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![BU of 3uzz by Molmil](/molmil-images/mine/3uzz) | Crystal structure of 5beta-reductase (AKR1D1) E120H mutant in complex with NADP+ and delta4-androstenedione | Descriptor: | 3-oxo-5-beta-steroid 4-dehydrogenase, 4-ANDROSTENE-3-17-DIONE, CHLORIDE ION, ... | Authors: | Chen, M, Christianson, D.W, Penning, T.M. | Deposit date: | 2011-12-07 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Conversion of Human Steroid 5beta-Reductase (AKR1D1) into 3β-Hydroxysteroid Dehydrogenase by Single Point Mutation E120H: EXAMPLE OF PERFECT ENZYME ENGINEERING. J.Biol.Chem., 287, 2012
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3V0T
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![BU of 3v0t by Molmil](/molmil-images/mine/3v0t) | Crystal Structure of Perakine Reductase, Founder Member of a Novel AKR Subfamily with Unique Conformational Changes during NADPH Binding | Descriptor: | 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, Perakine Reductase | Authors: | Sun, L, Chen, Y, Rajendran, C, Panjikar, S, Mueller, U, Wang, M, Rosenthal, C, Mindnich, R, Penning, T.M, Stoeckigt, J. | Deposit date: | 2011-12-08 | Release date: | 2012-02-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.333 Å) | Cite: | Crystal structure of perakine reductase, founding member of a novel aldo-keto reductase (AKR) subfamily that undergoes unique conformational changes during NADPH binding. J.Biol.Chem., 287, 2012
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3VXG
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![BU of 3vxg by Molmil](/molmil-images/mine/3vxg) | Crystal structure of conjugated polyketone reductase C2 from Candida Parapsilosis | Descriptor: | Conjugated polyketone reductase C2 | Authors: | Qin, H.-M, Yamamura, A, Miyakawa, T, Maruoka, S, Ohtsuka, J, Nagata, K, Kataoka, M, Shimizu, S, Tanokura, M. | Deposit date: | 2012-09-13 | Release date: | 2013-08-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of conjugated polyketone reductase from Candida parapsilosis IFO 0708 reveals conformational changes for substrate recognition upon NADPH binding Appl.Microbiol.Biotechnol., 98, 2014
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3UP8
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![BU of 3up8 by Molmil](/molmil-images/mine/3up8) | Crystal structure of a putative 2,5-diketo-D-gluconic acid reductase B | Descriptor: | ACETATE ION, Putative 2,5-diketo-D-gluconic acid reductase B | Authors: | Eswaramoorthy, S, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2011-11-17 | Release date: | 2011-12-14 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Crystal structure of a putative 2,5-diketo-D-gluconic acid reductase B To be Published
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3V0U
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![BU of 3v0u by Molmil](/molmil-images/mine/3v0u) | Crystal Structure of Perakine Reductase, Founder Member of a Novel AKR Subfamily with Unique Conformational Changes during NADPH Binding | Descriptor: | Perakine reductase | Authors: | Sun, L, Chen, Y, Rajendran, C, Panjikar, S, Mueller, U, Wang, M, Rosenthal, C, Mindnich, R, Penning, T.M, Stoeckigt, J. | Deposit date: | 2011-12-08 | Release date: | 2012-02-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.203 Å) | Cite: | Crystal structure of perakine reductase, founding member of a novel aldo-keto reductase (AKR) subfamily that undergoes unique conformational changes during NADPH binding. J.Biol.Chem., 287, 2012
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