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PDB: 30 件
2ALR
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ALDEHYDE REDUCTASE
分子名称: ALDEHYDE REDUCTASE
著者El-Kabbani, O.
登録日1994-09-06
公開日1996-06-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structures of human and porcine aldehyde reductase: an enzyme implicated in diabetic complications.
Acta Crystallogr.,Sect.D, 50, 1994
1PR9
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Human L-Xylulose Reductase Holoenzyme
分子名称: DIHYDROGENPHOSPHATE ION, L-XYLULOSE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者El-Kabbani, O, Ishikura, S, Darmanin, C, Carbone, V, Chung, R.P.-T, Usami, N, Hara, A.
登録日2003-06-20
公開日2004-02-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Crystal structure of human L-xylulose reductase holoenzyme: probing the role of Asn107 with site-directed mutagenesis
Proteins, 55, 2004
1AE4
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ALDEHYDE REDUCTASE COMPLEXED WITH COFACTOR AND INHIBITOR, ALPHA CARBON ATOMS ONLY
分子名称: ALDEHYDE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TOLRESTAT
著者El-Kabbani, O.
登録日1997-03-05
公開日1998-03-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Studies on the inhibitor-binding site of porcine aldehyde reductase: crystal structure of the holoenzyme-inhibitor ternary complex.
Proteins, 29, 1997
1PWM
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Crystal structure of human Aldose Reductase complexed with NADP and Fidarestat
分子名称: (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者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.
登録日2003-07-02
公開日2004-02-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (0.92 Å)
主引用文献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
1PWL
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Crystal structure of human Aldose Reductase complexed with NADP and Minalrestat
分子名称: 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
著者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.
登録日2003-07-02
公開日2004-02-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献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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Structure of the tetrameric form of Human L-Xylulose Reductase
分子名称: L-xylulose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者El-Kabbani, O, Carbone, V, Darmanin, C, Ishikura, S, Hara, A.
登録日2004-08-09
公開日2005-07-19
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
1X98
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Crystal structure of Aldose Reductase complexed with 2S4R (Stereoisomer of Fidarestat, 2S4S)
分子名称: (2S,4R)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose Reductase, CITRIC ACID, ...
著者El-Kabbani, O, Darmanin, C, Oka, M, Schulze-Briese, C, Tomizaki, T, Hazemann, I, Mitschler, A, Podjarny, A.
登録日2004-08-19
公開日2004-09-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献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
1X97
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Crystal structure of Aldose Reductase complexed with 2R4S (Stereoisomer of Fidarestat, 2S4S)
分子名称: (2R,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose Reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者El-Kabbani, O, Darmanin, C, Oka, M, Schulze-Briese, C, Tomizaki, T, Hazemann, I, Mitschler, A, Podjarny, A.
登録日2004-08-19
公開日2004-09-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献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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Crystal structure of Aldose Reductase with citrates bound in the active site
分子名称: CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, aldose reductase
著者El-Kabbani, O, Darmanin, C, Oka, M, Schulze-Briese, C, Tomizaki, T, Hazemann, I, Mitschler, A, Podjarny, A.
登録日2004-08-19
公開日2004-09-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献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
2P5N
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Crystal structure of mouse 17-alpha hydroxysteroid dehydrogenase in complex with coenzyme NADPH
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Aldo-keto reductase family 1, member C21, ...
著者El-Kabbani, O, Dhagat, U.
登録日2007-03-15
公開日2007-10-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
1CWN
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CRYSTAL STRUCTURE OF PORCINE ALDEHYDE REDUCTASE HOLOENZYME
分子名称: ALDEHYDE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者El-Kabbani, O.
登録日1996-07-30
公開日1998-02-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
2AGT
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Aldose Reductase Mutant Leu 300 Pro complexed with Fidarestat
分子名称: (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, CHLORIDE ION, ...
著者Petrova, T, Steuber, H, Hazemann, I, Cousido-Siah, A, Mitschler, A, Chung, R, Oka, M, Klebe, G, El-Kabbani, O, Joachimiak, A, Podjarny, A.
登録日2005-07-27
公開日2005-09-20
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献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
2O4U
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Crystal structure of Mammalian Dimeric Dihydrodiol Dehydrogenase
分子名称: BETA-MERCAPTOETHANOL, Dimeric dihydrodiol dehydrogenase, GLYCEROL, ...
著者Carbone, V, El-Kabbani, O.
登録日2006-12-04
公開日2007-07-31
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of dimeric dihydrodiol dehydrogenase apoenzyme and inhibitor complex: probing the subunit interface with site-directed mutagenesis.
Proteins, 70, 2008
3H4G
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Structure of aldehyde reductase holoenzyme in complex with potent aldose reductase inhibitor Fidarestat: Implications for inhibitor binding and selectivity
分子名称: (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Alcohol dehydrogenase [NADP+], NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Carbone, V, El-Kabbani, O.
登録日2009-04-20
公開日2009-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献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
3FX4
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Porcine aldehyde reductase in ternary complex with inhibitor
分子名称: Alcohol dehydrogenase [NADP+], NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ...
著者Carbone, V, El-Kabbani, O.
登録日2009-01-20
公開日2009-12-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structure of aldehyde reductase in ternary complex with a 5-arylidene-2,4-thiazolidinedione aldose reductase inhibitor.
Eur.J.Med.Chem., 45, 2010
3FJN
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The crystal structure of 17-alpha hydroxysteroid dehydrogenase Y224D mutant.
分子名称: ACETATE ION, Aldo-keto reductase family 1 member C21
著者Dhagat, U, El-Kabbani, O.
登録日2008-12-14
公開日2009-11-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Studies on a Tyr residue critical for the binding of coenzyme and substrate in mouse 3(17)alpha-hydroxysteroid dehydrogenase (AKR1C21): structure of the Y224D mutant enzyme
Acta Crystallogr.,Sect.D, 66, 2010
3GUG
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Crystal structure of AKR1C1 L308V mutant in complex with NADP and 3,5-dichlorosalicylic acid
分子名称: 3,5-dichloro-2-hydroxybenzoic acid, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Dhagat, U, El-Kabbani, O.
登録日2009-03-30
公開日2010-02-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of AKR1C1 L308V mutant in complex with NADP and 3,5-dichlorosalicylic acid
To be Published
3CV6
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The crystal structure of mouse 17-alpha hydroxysteroid dehydrogenase GG225.226PP mutant in complex with inhibitor and cofactor NADP+.
分子名称: 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol, Aldo-keto reductase family 1 member C21, BETA-MERCAPTOETHANOL, ...
著者Dhagat, U, El-Kabbani, O.
登録日2008-04-17
公開日2009-03-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
3C3U
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Crystal structure of AKR1C1 in complex with NADP and 3,5-dichlorosalicylic acid
分子名称: 3,5-dichloro-2-hydroxybenzoic acid, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Dhagat, U, El-Kabbani, O.
登録日2008-01-28
公開日2008-08-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
3BCJ
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Crystal structure of Aldose Reductase complexed with 2S4R (Stereoisomer of Fidarestat, 2S4S) at 0.78 A
分子名称: (2S,4R)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, CITRIC ACID, ...
著者Zhao, H.T, El-Kabbani, O.
登録日2007-11-13
公開日2008-04-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (0.78 Å)
主引用文献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
3D3W
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Structure of L-Xylulose Reductase with bound coenzyme, phosphate and hydroxide.
分子名称: L-xylulose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHOSPHATE ION
著者Zhao, H.-T, El-Kabbani, O.
登録日2008-05-12
公開日2009-04-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献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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Crystal structure of porcine aldehyde reductase ternary complex
分子名称: 3,5-dichloro-2-hydroxybenzoic acid, Alcohol dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Carbone, V, El-Kabbani, O.
登録日2008-04-18
公開日2008-10-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.412 Å)
主引用文献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
3NTY
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Crystal structure of AKR1C1 in complex with NADP and 5-Phenyl,3-chlorosalicylic acid
分子名称: 5-chloro-4-hydroxybiphenyl-3-carboxylic acid, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Dhagat, U, El-Kabbani, O.
登録日2010-07-06
公開日2011-04-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献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
3QKZ
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Crystal structure of mutant His269Arg AKR1B14
分子名称: Aldo-keto reductase family 1, member B7, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Sundaram, K, El-Kabbani, O.
登録日2011-02-02
公開日2012-02-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structure of the His269Arg mutant of the rat aldose reductase-like protein AKR1B14 complexed with NADPH.
Acta Crystallogr.,Sect.F, 68, 2012
3O3R
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Crystal Structure of AKR1B14 in complex with NADP
分子名称: Aldo-keto reductase family 1, member B7, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Sundaram, K, Dhagat, U, El-Kabbani, O.
登録日2010-07-26
公開日2011-01-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献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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