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1AE4
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BU of 1ae4 by Molmil
ALDEHYDE REDUCTASE COMPLEXED WITH COFACTOR AND INHIBITOR, ALPHA CARBON ATOMS ONLY
Descriptor: ALDEHYDE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TOLRESTAT
Authors:El-Kabbani, O.
Deposit date:1997-03-05
Release date:1998-03-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Studies on the inhibitor-binding site of porcine aldehyde reductase: crystal structure of the holoenzyme-inhibitor ternary complex.
Proteins, 29, 1997
2ALR
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BU of 2alr by Molmil
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
1PR9
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BU of 1pr9 by Molmil
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:2017-10-11
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
1PWL
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BU of 1pwl by Molmil
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:2024-03-13
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
1PWM
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BU of 1pwm by Molmil
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:2024-03-13
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
1WNT
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BU of 1wnt by Molmil
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
1X97
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BU of 1x97 by Molmil
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
1X96
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BU of 1x96 by Molmil
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
1X98
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BU of 1x98 by Molmil
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
3H4G
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BU of 3h4g by Molmil
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
1CWN
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BU of 1cwn by Molmil
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
3NTY
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BU of 3nty by Molmil
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
2P5N
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BU of 2p5n by Molmil
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
1C8T
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BU of 1c8t by Molmil
HUMAN STROMELYSIN-1 (E202Q) CATALYTIC DOMAIN COMPLEXED WITH RO-26-2812
Descriptor: 2-(2-{2-[(BIPHENYL-4-YLMETHYL)-AMINO]-3-MERCAPTO-PENTANOYLAMINO}-ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER, CALCIUM ION, STROMELYSIN-1, ...
Authors:Steele, D.L, el-Kabbani, O, Dunten, P, Crowther, R.L.
Deposit date:1999-07-29
Release date:2000-07-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Expression, characterization and structure determination of an active site mutant (Glu202-Gln) of mini-stromelysin-1.
Protein Eng., 13, 2000
2AGT
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BU of 2agt by Molmil
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
3FX4
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BU of 3fx4 by Molmil
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
3GUG
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BU of 3gug by Molmil
Crystal structure of AKR1C1 L308V mutant 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:2009-03-30
Release date:2010-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of AKR1C1 L308V mutant in complex with NADP and 3,5-dichlorosalicylic acid
To be Published
3O3R
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BU of 3o3r by Molmil
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
3OHS
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BU of 3ohs by Molmil
Crystal Structure of Mammalian Dimeric Dihydrodiol Dehydrogenase in complex with Dihydroxyacetone
Descriptor: BETA-MERCAPTOETHANOL, Dihydroxyacetone, SULFATE ION, ...
Authors:Zhao, H.-T, El-Kabbani, O.
Deposit date:2010-08-18
Release date:2011-08-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of MDD in complex with Dihydroxyacetone
To be Published
3QKZ
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BU of 3qkz by Molmil
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
3BCJ
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BU of 3bcj by Molmil
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
3C3U
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BU of 3c3u by Molmil
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
3CV6
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BU of 3cv6 by Molmil
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
3D3W
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BU of 3d3w by Molmil
Structure of L-Xylulose Reductase with bound coenzyme, phosphate and hydroxide.
Descriptor: L-xylulose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHOSPHATE ION
Authors:Zhao, H.-T, El-Kabbani, O.
Deposit date:2008-05-12
Release date:2009-04-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structure/function analysis of a critical disulfide bond in the active site of L-xylulose reductase.
Cell.Mol.Life Sci., 66, 2009
3CV7
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BU of 3cv7 by Molmil
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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