2ALR
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![BU of 2alr by Molmil](/molmil-images/mine/2alr) | ALDEHYDE REDUCTASE | Descriptor: | ALDEHYDE REDUCTASE | Authors: | El-Kabbani, O. | Deposit date: | 1994-09-06 | Release date: | 1996-06-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Structures of human and porcine aldehyde reductase: an enzyme implicated in diabetic complications. Acta Crystallogr.,Sect.D, 50, 1994
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1PR9
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![BU of 1pr9 by Molmil](/molmil-images/mine/1pr9) | Human L-Xylulose Reductase Holoenzyme | Descriptor: | DIHYDROGENPHOSPHATE ION, L-XYLULOSE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | El-Kabbani, O, Ishikura, S, Darmanin, C, Carbone, V, Chung, R.P.-T, Usami, N, Hara, A. | Deposit date: | 2003-06-20 | Release date: | 2004-02-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Crystal structure of human L-xylulose reductase holoenzyme: probing the role of Asn107 with site-directed mutagenesis Proteins, 55, 2004
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1AE4
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![BU of 1ae4 by Molmil](/molmil-images/mine/1ae4) | |
1PWL
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![BU of 1pwl by Molmil](/molmil-images/mine/1pwl) | Crystal structure of human Aldose Reductase complexed with NADP and Minalrestat | Descriptor: | 2[4-BROMO-2-FLUOROPHENYL)METHYL]-6-FLUOROSPIRO[ISOQUINOLINE-4-(1H),3'-PYRROLIDINE]-1,2',3,5'(2H)-TETRONE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, aldose reductase | Authors: | El-Kabbani, O, Darmanin, C, Schneider, T.R, Hazemann, I, Ruiz, F, Oka, M, Joachimiak, A, Schulze-Briese, C, Tomizaki, T, Mitschler, A, Podjarny, A. | Deposit date: | 2003-07-02 | Release date: | 2004-02-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Ultrahigh resolution drug design. II. Atomic resolution structures of human aldose reductase holoenzyme complexed with Fidarestat and Minalrestat: implications for the binding of cyclic imide inhibitors PROTEINS, 55, 2004
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1PWM
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![BU of 1pwm by Molmil](/molmil-images/mine/1pwm) | Crystal structure of human Aldose Reductase complexed with NADP and Fidarestat | Descriptor: | (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | El-Kabbani, O, Darmanin, C, Schneider, T.R, Hazemann, I, Ruiz, F, Oka, M, Joachimiak, A, Schulze-Briese, C, Tomizaki, T, Mitschler, A, Podjarny, A. | Deposit date: | 2003-07-02 | Release date: | 2004-02-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (0.92 Å) | Cite: | Ultrahigh resolution drug design. II. Atomic resolution structures of human aldose reductase holoenzyme complexed with Fidarestat and Minalrestat: implications for the binding of cyclic imide inhibitors PROTEINS, 55, 2004
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1X98
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![BU of 1x98 by Molmil](/molmil-images/mine/1x98) | Crystal structure of Aldose Reductase complexed with 2S4R (Stereoisomer of Fidarestat, 2S4S) | Descriptor: | (2S,4R)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose Reductase, CITRIC ACID, ... | Authors: | El-Kabbani, O, Darmanin, C, Oka, M, Schulze-Briese, C, Tomizaki, T, Hazemann, I, Mitschler, A, Podjarny, A. | Deposit date: | 2004-08-19 | Release date: | 2004-09-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | High-Resolution Structures of Human Aldose Reductase Holoenzyme in Complex with Stereoisomers of the Potent Inhibitor Fidarestat: Stereospecific Interaction between the Enzyme and a Cyclic Imide Type Inhibitor J.Med.Chem., 47, 2004
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1X97
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![BU of 1x97 by Molmil](/molmil-images/mine/1x97) | Crystal structure of Aldose Reductase complexed with 2R4S (Stereoisomer of Fidarestat, 2S4S) | Descriptor: | (2R,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose Reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | El-Kabbani, O, Darmanin, C, Oka, M, Schulze-Briese, C, Tomizaki, T, Hazemann, I, Mitschler, A, Podjarny, A. | Deposit date: | 2004-08-19 | Release date: | 2004-09-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | High-Resolution Structures of Human Aldose Reductase Holoenzyme in Complex with Stereoisomers of the Potent Inhibitor Fidarestat: Stereospecific Interaction between the Enzyme and a Cyclic Imide Type Inhibitor J.Med.Chem., 47, 2004
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1X96
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![BU of 1x96 by Molmil](/molmil-images/mine/1x96) | Crystal structure of Aldose Reductase with citrates bound in the active site | Descriptor: | CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, aldose reductase | Authors: | El-Kabbani, O, Darmanin, C, Oka, M, Schulze-Briese, C, Tomizaki, T, Hazemann, I, Mitschler, A, Podjarny, A. | Deposit date: | 2004-08-19 | Release date: | 2004-09-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | High-Resolution Structures of Human Aldose Reductase Holoenzyme in Complex with Stereoisomers of the Potent Inhibitor Fidarestat: Stereospecific Interaction between the Enzyme and a Cyclic Imide Type Inhibitor J.Med.Chem., 47, 2004
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1WNT
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![BU of 1wnt by Molmil](/molmil-images/mine/1wnt) | Structure of the tetrameric form of Human L-Xylulose Reductase | Descriptor: | L-xylulose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | El-Kabbani, O, Carbone, V, Darmanin, C, Ishikura, S, Hara, A. | Deposit date: | 2004-08-09 | Release date: | 2005-07-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the tetrameric form of human L-Xylulose reductase: Probing the inhibitor-binding site with molecular modeling and site-directed mutagenesis Proteins, 60, 2005
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3NTY
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![BU of 3nty by Molmil](/molmil-images/mine/3nty) | Crystal structure of AKR1C1 in complex with NADP and 5-Phenyl,3-chlorosalicylic acid | Descriptor: | 5-chloro-4-hydroxybiphenyl-3-carboxylic acid, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Dhagat, U, El-Kabbani, O. | Deposit date: | 2010-07-06 | Release date: | 2011-04-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Probing the inhibitor selectivity pocket of human 20 alpha-hydroxysteroid dehydrogenase (AKR1C1) with X-ray crystallography and site-directed mutagenesis Bioorg.Med.Chem.Lett., 21, 2011
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3H4G
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![BU of 3h4g by Molmil](/molmil-images/mine/3h4g) | Structure of aldehyde reductase holoenzyme in complex with potent aldose reductase inhibitor Fidarestat: Implications for inhibitor binding and selectivity | Descriptor: | (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Alcohol dehydrogenase [NADP+], NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Carbone, V, El-Kabbani, O. | Deposit date: | 2009-04-20 | Release date: | 2009-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure of aldehyde reductase holoenzyme in complex with the potent aldose reductase inhibitor fidarestat: implications for inhibitor binding and selectivity J.Med.Chem., 48, 2005
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2P5N
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![BU of 2p5n by Molmil](/molmil-images/mine/2p5n) | Crystal structure of mouse 17-alpha hydroxysteroid dehydrogenase in complex with coenzyme NADPH | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Aldo-keto reductase family 1, member C21, ... | Authors: | El-Kabbani, O, Dhagat, U. | Deposit date: | 2007-03-15 | Release date: | 2007-10-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of 3(17)alpha-hydroxysteroid dehydrogenase (AKR1C21) holoenzyme from an orthorhombic crystal form: an insight into the bifunctionality of the enzyme. Acta Crystallogr.,Sect.F, 63, 2007
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1CWN
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![BU of 1cwn by Molmil](/molmil-images/mine/1cwn) | CRYSTAL STRUCTURE OF PORCINE ALDEHYDE REDUCTASE HOLOENZYME | Descriptor: | ALDEHYDE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | El-Kabbani, O. | Deposit date: | 1996-07-30 | Release date: | 1998-02-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of porcine aldehyde reductase at 2.0 angstrom resolution: Modeling an inhibitor in the active site of the enzyme. Protein Pept.Lett., 3, 1996
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3QKZ
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![BU of 3qkz by Molmil](/molmil-images/mine/3qkz) | Crystal structure of mutant His269Arg AKR1B14 | Descriptor: | Aldo-keto reductase family 1, member B7, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Sundaram, K, El-Kabbani, O. | Deposit date: | 2011-02-02 | Release date: | 2012-02-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structure of the His269Arg mutant of the rat aldose reductase-like protein AKR1B14 complexed with NADPH. Acta Crystallogr.,Sect.F, 68, 2012
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3O3R
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![BU of 3o3r by Molmil](/molmil-images/mine/3o3r) | Crystal Structure of AKR1B14 in complex with NADP | Descriptor: | Aldo-keto reductase family 1, member B7, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Sundaram, K, Dhagat, U, El-Kabbani, O. | Deposit date: | 2010-07-26 | Release date: | 2011-01-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structure of rat aldose reductase-like protein AKR1B14 holoenzyme: Probing the role of His269 in coenzyme binding by site-directed mutagenesis Bioorg.Med.Chem.Lett., 21, 2011
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3OHS
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![BU of 3ohs by Molmil](/molmil-images/mine/3ohs) | |
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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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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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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2AGT
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![BU of 2agt by Molmil](/molmil-images/mine/2agt) | Aldose Reductase Mutant Leu 300 Pro complexed with Fidarestat | Descriptor: | (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, CHLORIDE ION, ... | Authors: | Petrova, T, Steuber, H, Hazemann, I, Cousido-Siah, A, Mitschler, A, Chung, R, Oka, M, Klebe, G, El-Kabbani, O, Joachimiak, A, Podjarny, A. | Deposit date: | 2005-07-27 | Release date: | 2005-09-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Factorizing Selectivity Determinants of Inhibitor Binding toward Aldose and Aldehyde Reductases: Structural and Thermodynamic Properties of the Aldose Reductase Mutant Leu300Pro-Fidarestat Complex J.Med.Chem., 48, 2005
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3D3W
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![BU of 3d3w by Molmil](/molmil-images/mine/3d3w) | |
3FJN
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![BU of 3fjn by Molmil](/molmil-images/mine/3fjn) | |
3FX4
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![BU of 3fx4 by Molmil](/molmil-images/mine/3fx4) | Porcine aldehyde reductase in ternary complex with inhibitor | Descriptor: | Alcohol dehydrogenase [NADP+], NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ... | Authors: | Carbone, V, El-Kabbani, O. | Deposit date: | 2009-01-20 | Release date: | 2009-12-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structure of aldehyde reductase in ternary complex with a 5-arylidene-2,4-thiazolidinedione aldose reductase inhibitor. Eur.J.Med.Chem., 45, 2010
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3CV7
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![BU of 3cv7 by Molmil](/molmil-images/mine/3cv7) | Crystal structure of porcine aldehyde reductase ternary complex | Descriptor: | 3,5-dichloro-2-hydroxybenzoic acid, Alcohol dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Carbone, V, El-Kabbani, O. | Deposit date: | 2008-04-18 | Release date: | 2008-10-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.412 Å) | Cite: | Structure of aldehyde reductase in ternary complex with coenzyme and the potent 20alpha-hydroxysteroid dehydrogenase inhibitor 3,5-dichlorosalicylic acid: Implications for inhibitor binding and selectivity Arch.Biochem.Biophys., 479, 2008
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3GUG
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![BU of 3gug by Molmil](/molmil-images/mine/3gug) | |