4WEV
 
 | | Crystal structure of human AKR1B10 complexed with NADP+ and sulindac | | Descriptor: | Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [(1Z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1H-inden-3-yl]acetic acid | | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Crespo, I, Porte, S, Pares, X, Farres, J, Podjarny, A. | | Deposit date: | 2014-09-11 | | Release date: | 2015-01-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.453 Å) | | Cite: | Structural analysis of sulindac as an inhibitor of aldose reductase and AKR1B10.
Chem.Biol.Interact., 234, 2015
|
|
2OBY
 | | Crystal structure of Human P53 inducible oxidoreductase (TP53I3,PIG3) | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative quinone oxidoreductase | | Authors: | Porte, S, Valencia, E, Farres, J, Fita, I, Pike, A.C.W, Shafqat, N, Debreczeni, J, Johansson, C, Haroniti, A, Gileadi, O, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, von Delft, F, Oppermann, U, Pares, X. | | Deposit date: | 2006-12-20 | | Release date: | 2007-01-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of human P53 inducible oxidoreductase (TP53I3, PIG3)
To be Published
|
|
2J8Z
 | | Crystal Structure of human P53 inducible oxidoreductase (TP53I3,PIG3) | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, QUINONE OXIDOREDUCTASE | | Authors: | Pike, A.C.W, Shafqat, N, Debreczeni, J, Johansson, C, Haroniti, A, Gileadi, O, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, von Delft, F, Porte, S, Fita, I, Pares, J, Pares, X, Oppermann, U. | | Deposit date: | 2006-10-31 | | Release date: | 2006-11-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Three-Dimensional Structure and Enzymatic Function of Proapoptotic Human P53-Inducible Quinone Oxidoreductase Pig3.
J.Biol.Chem., 284, 2009
|
|
1ZUA
 | | Crystal Structure Of AKR1B10 Complexed With NADP+ And Tolrestat | | Descriptor: | Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TOLRESTAT | | Authors: | Gallego, O, Ruiz, F.X, Ardevol, A, Dominguez, M, Alvarez, R, de Lera, A.R, Rovira, C, Farres, J, Fita, I, Pares, X. | | Deposit date: | 2005-05-30 | | Release date: | 2006-11-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structural basis for the high all-trans-retinaldehyde reductase activity of the tumor marker AKR1B10.
Proc.Natl.Acad.Sci.USA, 104, 2007
|
|
1P0F
 | | Crystal Structure of the Binary Complex: NADP(H)-Dependent Vertebrate Alcohol Dehydrogenase (ADH8) with the cofactor NADP | | Descriptor: | GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent ALCOHOL DEHYDROGENASE, ... | | Authors: | Rosell, A, Valencia, E, Pares, X, Fita, I, Farres, J, Ochoa, W.F. | | Deposit date: | 2003-04-10 | | Release date: | 2003-04-22 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of the vertebrate NADP(H)-dependent alcohol dehydrogenase (ADH8)
J.Mol.Biol., 330, 2003
|
|
1P0C
 | | Crystal Structure of the NADP(H)-Dependent Vertebrate Alcohol Dehydrogenase (ADH8) | | Descriptor: | GLYCEROL, NADP-dependent ALCOHOL DEHYDROGENASE, PHOSPHATE ION, ... | | Authors: | Rosell, A, Valencia, E, Pares, X, Fita, I, Farres, J, Ochoa, W.F. | | Deposit date: | 2003-04-10 | | Release date: | 2003-04-22 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of the Vertebrate NADP(H)-dependent Alcohol Dehydrogenase (ADH8)
J.Mol.Biol., 330, 2003
|
|
1PIW
 | | APO AND HOLO STRUCTURES OF AN NADP(H)-DEPENDENT CINNAMYL ALCOHOL DEHYDROGENASE FROM SACCHAROMYCES CEREVISIAE | | Descriptor: | Hypothetical zinc-type alcohol dehydrogenase-like protein in PRE5-FET4 intergenic region, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ZINC ION | | Authors: | Valencia, E, Larroy, C, Ochoa, W.F, Pares, X, Fita, I, Biosca, J.A. | | Deposit date: | 2003-05-30 | | Release date: | 2004-08-10 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Apo and Holo Structures of an NADP(H)-dependent Cinnamyl Alcohol Dehydrogenase from Saccharomyces cerevisiae
J.Mol.Biol., 341, 2004
|
|
1PS0
 | | Crystal Structure of the NADP(H)-Dependent Cinnamyl Alcohol Dehydrogenase from Saccharomyces cerevisiae | | Descriptor: | Hypothetical zinc-type alcohol dehydrogenase-like protein in PRE5-FET4 intergenic region, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ZINC ION | | Authors: | Valencia, E, Larroy, C, Ochoa, W.F, Pares, X, Fita, I, Biosca, J.A. | | Deposit date: | 2003-06-20 | | Release date: | 2004-06-29 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Apo and Holo Structures of an NADP(H)-dependent Cinnamyl Alcohol Dehydrogenase from Saccharomyces cerevisiae
J.Mol.Biol., 341, 2004
|
|
1Q1N
 | | APO AND HOLO STRUCTURES OF AN NADP(H)-DEPENDENT CINNAMYL ALCOHOL DEHYDROGENASE FROM SACCHAROMYCES CEREVISIAE | | Descriptor: | Hypothetical zinc-type alcohol dehydrogenase-like protein in PRE5-FET4 intergenic region, ZINC ION | | Authors: | Valencia, E, Larroy, C, Ochoa, W.F, Pares, X, Fita, I, Biosca, J.A. | | Deposit date: | 2003-07-22 | | Release date: | 2004-08-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Apo and Holo Structures of an NADP(H)-dependent Cinnamyl Alcohol Dehydrogenase from Saccharomyces cerevisiae
J.Mol.Biol., 341, 2004
|
|
5M2F
 | | Crystal structure of human AKR1B10 complexed with NADP+ and the synthetic retinoid UVI2008 | | Descriptor: | 1,2-ETHANEDIOL, 3-bromo-4-[(1E)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acid, Aldo-keto reductase family 1 member B10, ... | | Authors: | Ruiz, F.X, Cousido-Siah, A, Mitschler, A, Porte, S, Alvarez, S, Dominguez, M, Alvarez, R, de Lera, A.R, Pares, X, Farres, J, Podjarny, A. | | Deposit date: | 2016-10-12 | | Release date: | 2017-02-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.503 Å) | | Cite: | Structural basis for the inhibition of AKR1B10 by the C3 brominated TTNPB derivative UVI2008.
Chem. Biol. Interact., 276, 2017
|
|
4XZH
 | | Crystal structure of human Aldose Reductase complexed with NADP+ and JF0048 | | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [3-(4-chloro-3-nitrobenzyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]acetic acid | | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Dominguez, M, de Lera, A.R, Farres, J, Pares, X, Podjarny, A. | | Deposit date: | 2015-02-04 | | Release date: | 2015-11-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10.
Chemmedchem, 10, 2015
|
|
4XZI
 | | Crystal structure of human Aldose Reductase complexed with NADP+ and JF0049 | | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [2,4-dioxo-3-(2,3,4,5-tetrabromo-6-methoxybenzyl)-3,4-dihydropyrimidin-1(2H)-yl]acetic acid | | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Dominguez, M, de Lera, A.R, Farres, J, Pares, X, Podjarny, A. | | Deposit date: | 2015-02-04 | | Release date: | 2015-11-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10.
Chemmedchem, 10, 2015
|
|
4XZL
 | | Crystal structure of human AKR1B10 complexed with NADP+ and JF0049 | | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Dominguez, M, de Lera, A.R, Farres, J, Pares, X, Podjarny, A. | | Deposit date: | 2015-02-04 | | Release date: | 2015-11-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10.
Chemmedchem, 10, 2015
|
|
4ICC
 | | Crystal structure of human AKR1B10 complexed with NADP+ and JF0064 | | Descriptor: | 2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Porte, S, de Lera, A.R, Martin, M.J, de la Fuente, J.A, Klebe, G, Farres, J, Pares, X, Podjarny, A. | | Deposit date: | 2012-12-10 | | Release date: | 2014-02-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.752 Å) | | Cite: | Identification of a novel polyfluorinated compound as a lead to inhibit the human enzymes aldose reductase and AKR1B10: structure determination of both ternary complexes and implications for drug design.
Acta Crystallogr.,Sect.D, 70, 2014
|
|
4IGS
 | | Crystal structure of human Aldose Reductase complexed with NADP+ and JF0064 | | Descriptor: | 2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Porte, S, de Lera, A.R, Martin, M.J, de la Fuente, J.A, Klebe, G, Farres, J, Pares, X, Podjarny, A. | | Deposit date: | 2012-12-18 | | Release date: | 2014-03-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | Identification of a novel polyfluorinated compound as a lead to inhibit the human enzymes aldose reductase and AKR1B10: structure determination of both ternary complexes and implications for drug design.
Acta Crystallogr.,Sect.D, 70, 2014
|
|
7QK8
 | | Crystal structure of the ALDH1A3-NAD+ complex | | Descriptor: | Aldehyde dehydrogenase family 1 member A3, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Castellvi, A, Farres, J. | | Deposit date: | 2021-12-17 | | Release date: | 2022-04-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.893 Å) | | Cite: | Structural and biochemical evidence that ATP inhibits the cancer biomarker human aldehyde dehydrogenase 1A3.
Commun Biol, 5, 2022
|
|
7QK7
 | | Crystal structure of the APO form of ALDH1A3 | | Descriptor: | Aldehyde dehydrogenase family 1 member A3, DI(HYDROXYETHYL)ETHER, GLYCEROL | | Authors: | Castellvi, A, Farres, J. | | Deposit date: | 2021-12-17 | | Release date: | 2022-04-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.289 Å) | | Cite: | Structural and biochemical evidence that ATP inhibits the cancer biomarker human aldehyde dehydrogenase 1A3.
Commun Biol, 5, 2022
|
|
7QK9
 | | Crystal structure of the ALDH1A3-ATP complex | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Aldehyde dehydrogenase family 1 member A3, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Castellvi, A, Farres, J. | | Deposit date: | 2021-12-17 | | Release date: | 2022-04-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.782 Å) | | Cite: | Structural and biochemical evidence that ATP inhibits the cancer biomarker human aldehyde dehydrogenase 1A3.
Commun Biol, 5, 2022
|
|
6F84
 | | AKR1B1 at 2.55 MGy radiation dose. | | Descriptor: | Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Castellvi, A, Juanhuix, J. | | Deposit date: | 2017-12-12 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Efficacy of aldose reductase inhibitors is affected by oxidative stress induced under X-ray irradiation.
Sci Rep, 9, 2019
|
|
6F8O
 | | AKR1B1 at 3.45 MGy radiation dose. | | Descriptor: | Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Castellvi, A, Juanhuix, J. | | Deposit date: | 2017-12-13 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Efficacy of aldose reductase inhibitors is affected by oxidative stress induced under X-ray irradiation.
Sci Rep, 9, 2019
|
|
6F81
 | | AKR1B1 at 0.75 MGy radiation dose. | | Descriptor: | Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Castellvi, A, Juanhuix, J. | | Deposit date: | 2017-12-12 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Efficacy of aldose reductase inhibitors is affected by oxidative stress induced under X-ray irradiation.
Sci Rep, 9, 2019
|
|
6F7R
 | | AKR1B1 at 0.03 MGy radiation dose. | | Descriptor: | Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Castellvi, A, Juanhuix, J. | | Deposit date: | 2017-12-11 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (0.92 Å) | | Cite: | Efficacy of aldose reductase inhibitors is affected by oxidative stress induced under X-ray irradiation.
Sci Rep, 9, 2019
|
|
6F82
 | | AKR1B1 at 1.65 MGy radiation dose. | | Descriptor: | Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Castellvi, A, Juanhuix, J. | | Deposit date: | 2017-12-12 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Efficacy of aldose reductase inhibitors is affected by oxidative stress induced under X-ray irradiation.
Sci Rep, 9, 2019
|
|
5OUJ
 | | Crystal structure of human AKR1B1 complexed with NADP+ and compound 39 | | Descriptor: | 2-[(1~{R})-5-(4-chlorophenyl)-9-fluoranyl-3-methyl-1-oxidanyl-1~{H}-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Metwally, K, Podjarny, A. | | Deposit date: | 2017-08-24 | | Release date: | 2018-05-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (0.96 Å) | | Cite: | Design, synthesis, structure-activity relationships and X-ray structural studies of novel 1-oxopyrimido[4,5-c]quinoline-2-acetic acid derivatives as selective and potent inhibitors of human aldose reductase.
Eur J Med Chem, 152, 2018
|
|
5OUK
 | | Crystal structure of human AKR1B1 complexed with NADP+ and compound 41 | | Descriptor: | 2-[9-fluoranyl-5-(4-methoxyphenyl)-3-methyl-1-oxidanylidene-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Metwally, K, Podjarny, A. | | Deposit date: | 2017-08-24 | | Release date: | 2018-05-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (0.959 Å) | | Cite: | Design, synthesis, structure-activity relationships and X-ray structural studies of novel 1-oxopyrimido[4,5-c]quinoline-2-acetic acid derivatives as selective and potent inhibitors of human aldose reductase.
Eur J Med Chem, 152, 2018
|
|
