Author results

1AE4
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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:2011-07-13
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
1PR9
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HUMAN L-XYLULOSE REDUCTASE HOLOENZYME
Descriptor:L-XYLULOSE REDUCTASE, POTASSIUM ION, 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
2ALR
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ALDEHYDE REDUCTASE
Descriptor:ALDEHYDE REDUCTASE
Authors:El-Kabbani, O.
Deposit date:1994-09-06
Release date:1996-06-20
Last modified:2011-07-13
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
1PWL
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CRYSTAL STRUCTURE OF HUMAN ALDOSE REDUCTASE COMPLEXED WITH NADP AND MINALRESTAT
Descriptor:aldose reductase, 2[4-BROMO-2-FLUOROPHENYL)METHYL]-6-FLUOROSPIRO[ISOQUINOLINE-4-(1H),3'-PYRROLIDINE]-1,2',3,5'(2H)-TETRONE, 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:2017-10-11
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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CRYSTAL STRUCTURE OF HUMAN ALDOSE REDUCTASE COMPLEXED WITH NADP AND FIDARESTAT
Descriptor:aldose reductase, 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:2017-10-11
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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STRUCUTRE 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:2011-07-13
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
1X96
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CRYSTAL STRUCTURE OF ALDOSE REDUCTASE WITH CITRATES BOUND IN THE ACTIVE SITE
Descriptor:aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 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:2011-07-13
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
1X97
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CRYSTAL STRUCTURE OF ALDOSE REDUCTASE COMPLEXED WITH 2R4S (STEREOISOMER OF FIDARESTAT, 2S4S)
Descriptor:Aldose Reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, (2R,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE
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:2011-07-13
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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CRYSTAL STRUCTURE OF ALDOSE REDUCTASE COMPLEXED WITH 2S4R (STEREOISOMER OF FIDARESTAT, 2S4S)
Descriptor:Aldose Reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 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:2011-07-13
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
1CWN
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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:2011-07-13
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
2P5N
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CRYSTAL STRUCTURE OF MOUSE 17-ALPHA HYDROXYSTEROID DEHYDROGENASE IN COMPLEX WITH COENZYME NADPH
Descriptor:Aldo-keto reductase family 1, member C21, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:El-Kabbani, O., Dhagat, U.
Deposit date:2007-03-15
Release date:2007-10-09
Last modified:2013-11-20
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
3H4G
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STRUCTURE OF ALDEHYDE REDUCTASE HOLOENZYME IN COMPLEX WITH POTENT ALDOSE REDUCTASE INHIBITOR FIDARESTAT: IMPLICATIONS FOR INHIBITOR BINDING AND SELECTIVITY
Descriptor:Alcohol dehydrogenase [NADP+], SULFATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Carbone, V., El-Kabbani, O.
Deposit date:2009-04-20
Release date:2009-05-05
Last modified:2011-07-13
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
3NTY
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CRYSTAL STRUCTURE OF AKR1C1 IN COMPLEX WITH NADP AND 5-PHENYL,3-CHLOROSALICYLIC ACID
Descriptor:Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 5-chloro-4-hydroxybiphenyl-3-carboxylic acid, ...
Authors:Dhagat, U., El-Kabbani, O.
Deposit date:2010-07-06
Release date:2011-04-13
Last modified:2011-07-13
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
1C8T
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HUMAN STROMELYSIN-1 (E202Q) CATALYTIC DOMAIN COMPLEXED WITH RO-26-2812
Descriptor:STROMELYSIN-1, ZINC ION, CALCIUM ION, ...
Authors:Steele, D.L., el-Kabbani, O., Dunten, P., Crowther, R.L.
Deposit date:1999-07-29
Release date:2000-07-19
Last modified:2011-07-13
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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ALDOSE REDUCTASE MUTANT LEU 300 PRO COMPLEXED WITH FIDARESTAT
Descriptor:Aldose reductase, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
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:2011-07-13
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
2O48
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CRYSTAL STRUCTURE OF MAMMALIAN DIMERIC DIHYDRODIOL DEHYDROGENASE
Descriptor:Dimeric dihydrodiol dehydrogenase, SULFATE ION, P-HYDROXYACETOPHENONE, ...
Authors:Carbone, V., El-Kabbani, O.
Deposit date:2006-12-04
Release date:2007-07-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structures of dimeric dihydrodiol dehydrogenase apoenzyme and inhibitor complex: probing the subunit interface with site-directed mutagenesis.
Proteins, 70, 2008
2O4U
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CRYSTAL STRUCTURE OF MAMMALIAN DIMERIC DIHYDRODIOL DEHYDROGENASE
Descriptor:Dimeric dihydrodiol dehydrogenase, PHOSPHATE ION, BETA-MERCAPTOETHANOL, ...
Authors:Carbone, V., El-Kabbani, O.
Deposit date:2006-12-04
Release date:2007-07-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of dimeric dihydrodiol dehydrogenase apoenzyme and inhibitor complex: probing the subunit interface with site-directed mutagenesis.
Proteins, 70, 2008
2POQ
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DIMERIC DIHYDRODIOL DEHYDROGENASE COMPLEXED WITH INHIBITOR, ISOASCORBIC ACID
Descriptor:Dimeric dihydrodiol dehydrogenase, SULFATE ION, BETA-MERCAPTOETHANOL, ...
Authors:Carbone, V., El-Kabbani, O.
Deposit date:2007-04-27
Release date:2007-07-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structure of monkey dimeric dihydrodiol dehydrogenase in complex with isoascorbic acid.
Acta Crystallogr.,Sect.D, 64, 2008
2PZN
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THE CRYSTALLOGRAPHIC STRUCTURE OF ALDOSE REDUCTASE IDD393 COMPLEX CONFIRMS LEU300 AS A SPECIFICITY DETERMINANT
Descriptor:Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID
Authors:Ruiz, F., Hazemann, I., Darmanin, C., Mitschler, A., Van Zandt, M., Joachimiak, A., El-Kabbani, O., Podjarny, A.
Deposit date:2007-05-18
Release date:2008-05-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1 Å)
Cite:The Crystallographic Structure of Alr2-Idd393 Complex Confirms Leu300 as a Specificity Determinant
To be Published
3BCJ
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CRYSTAL STRUCTURE OF ALDOSE REDUCTASE COMPLEXED WITH 2S4R (STEREOISOMER OF FIDARESTAT, 2S4S) AT 0.78 A
Descriptor:Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, CITRIC ACID, ...
Authors:Zhao, H.T., El-Kabbani, O.
Deposit date:2007-11-13
Release date:2008-04-08
Last modified:2011-07-13
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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CRYSTAL STRUCTURE OF AKR1C1 IN COMPLEX WITH NADP AND 3,5-DICHLOROSALICYLIC ACID
Descriptor:Aldo-keto reductase family 1 member C1, ZINC ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Dhagat, U., El-Kabbani, O.
Deposit date:2008-01-28
Release date:2008-08-26
Last modified:2011-07-13
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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THE CRYSTAL STRUCTURE OF MOUSE 17-ALPHA HYDROXYSTEROID DEHYDROGENASE GG225.226PP MUTANT IN COMPLEX WITH INHIBITOR AND COFACTOR NADP+.
Descriptor:Aldo-keto reductase family 1 member C21, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol, ...
Authors:Dhagat, U., El-Kabbani, O.
Deposit date:2008-04-17
Release date:2009-03-03
Last modified:2012-04-18
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
3CV7
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CRYSTAL STRUCTURE OF PORCINE ALDEHYDE REDUCTASE TERNARY COMPLEX
Descriptor:Alcohol dehydrogenase, SULFATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Carbone, V., El-Kabbani, O.
Deposit date:2008-04-18
Release date:2008-10-28
Last modified:2011-07-13
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
3D3W
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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
3FJN
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THE CRYSTAL STRUCTURE OF 17-ALPHA HYDROXYSTEROID DEHYDROGENASE Y224D MUTANT.
Descriptor:Aldo-keto reductase family 1 member C21, ACETATE ION
Authors:Dhagat, U., El-Kabbani, O.
Deposit date:2008-12-14
Release date:2009-11-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
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