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2J8Z
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CRYSTAL STRUCTURE OF HUMAN P53 INDUCIBLE OXIDOREDUCTASE (TP53I3,PIG3)
Descriptor:QUINONE OXIDOREDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
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:2011-07-13
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
1P0C
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CRYSTAL STRUCTURE OF THE NADP(H)-DEPENDENT VERTEBRATE ALCOHOL DEHYDROGENASE (ADH8)
Descriptor:NADP-dependent ALCOHOL DEHYDROGENASE, ZINC ION, 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:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of the Vertebrate NADP(H)-dependent Alcohol Dehydrogenase (ADH8)
J.Mol.Biol., 330, 2003
1P0F
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CRYSTAL STRUCTURE OF THE BINARY COMPLEX: NADP(H)-DEPENDENT VERTEBRATE ALCOHOL DEHYDROGENASE (ADH8) WITH THE COFACTOR NADP
Descriptor:NADP-dependent ALCOHOL DEHYDROGENASE, ZINC ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
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:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the vertebrate NADP(H)-dependent alcohol dehydrogenase (ADH8)
J.Mol.Biol., 330, 2003
1PIW
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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, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
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
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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, ZINC ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
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:2011-07-13
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
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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:2011-07-13
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
1ZUA
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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:2011-07-13
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
2OBY
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CRYSTAL STRUCTURE OF HUMAN P53 INDUCIBLE OXIDOREDUCTASE (TP53I3,PIG3)
Descriptor:Putative quinone oxidoreductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
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:2018-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of human P53 inducible oxidoreductase (TP53I3, PIG3)
To be Published
4ICC
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CRYSTAL STRUCTURE OF HUMAN AKR1B10 COMPLEXED WITH NADP+ AND JF0064
Descriptor:Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol
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:2017-11-15
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
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CRYSTAL STRUCTURE OF HUMAN ALDOSE REDUCTASE COMPLEXED WITH NADP+ AND JF0064
Descriptor:Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol
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:2017-11-15
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
4WEV
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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:2015-05-13
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
4XZH
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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:2016-01-27
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
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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:2016-01-27
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
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CRYSTAL STRUCTURE OF HUMAN AKR1B10 COMPLEXED WITH NADP+ AND JF0049
Descriptor:Aldo-keto reductase family 1 member B10, 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:2016-01-27
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
5M2F
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CRYSTAL STRUCTURE OF HUMAN AKR1B10 COMPLEXED WITH NADP+ AND THE SYNTHETIC RETINOID UVI2008
Descriptor:Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 3-bromo-4-[(1E)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acid, ...
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:2017-11-22
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
4GAB
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HUMAN AKR1B10 MUTANT V301L COMPLEXED WITH NADP+ AND FIDARESTAT
Descriptor:Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, ...
Authors:Cousido-Siah, A., Ruiz Figueras, F.X., Mitschler, A., Podjarny, A.
Deposit date:2012-07-25
Release date:2013-03-20
Last modified:2013-04-10
Method:X-RAY DIFFRACTION (1.5971 Å)
Cite:X-ray structure of the V301L aldo-keto reductase 1B10 complexed with NADP(+) and the potent aldose reductase inhibitor fidarestat: Implications for inhibitor binding and selectivity.
Chem.Biol.Interact, 202, 2013
4XZM
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CRYSTAL STRUCTURE OF THE METHYLATED WILD-TYPE AKR1B10 HOLOENZYME
Descriptor:Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 1,2-ETHANEDIOL
Authors:Cousido-Siah, A., Ruiz, F.X., Mitschler, A., Podjarny, A.
Deposit date:2015-02-04
Release date:2015-11-18
Last modified:2016-01-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10.
Chemmedchem, 10, 2015
4XZN
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CRYSTAL STRUCTURE OF THE METHYLATED K125R/V301L AKR1B10 HOLOENZYME
Descriptor:Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 1,2-ETHANEDIOL
Authors:Cousido-Siah, A., Ruiz, F.X., Mitschler, A., Podjarny, A.
Deposit date:2015-02-04
Release date:2015-11-18
Last modified:2016-01-27
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
5LIK
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CRYSTAL STRUCTURE OF HUMAN AKR1B10 COMPLEXED WITH NADP+ AND THE INHIBITOR MK181
Descriptor:Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-bromobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid, ...
Authors:Cousido-Siah, A., Ruiz, F.X., Mitschler, A., Fanfrlik, J., Kamlar, M., Vesely, J., Hobza, P., Podjarny, A.
Deposit date:2016-07-14
Release date:2016-07-27
Last modified:2016-11-02
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors.
Acs Chem.Biol., 11, 2016
5LIU
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CRYSTAL STRUCTURE OF HUMAN AKR1B10 COMPLEXED WITH NADP+ AND THE INHIBITOR IDD388
Descriptor:Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, (2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID, ...
Authors:Cousido-Siah, A., Ruiz, F.X., Mitschler, A., Fanfrlik, J., Kamlar, M., Vesely, J., Hobza, P., Podjarny, A.
Deposit date:2016-07-15
Release date:2016-07-27
Last modified:2016-11-02
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors.
Acs Chem.Biol., 11, 2016
5LIW
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CRYSTAL STRUCTURE OF HUMAN AKR1B10 COMPLEXED WITH NADP+ AND THE INHIBITOR MK319
Descriptor:Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid, ...
Authors:Cousido-Siah, A., Ruiz, F.X., Mitschler, A., Fanfrlik, J., Kamlar, M., Vesely, J., Hobza, P., Podjarny, A.
Deposit date:2016-07-15
Release date:2016-07-27
Last modified:2016-11-02
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors.
Acs Chem.Biol., 11, 2016
5LIX
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CRYSTAL STRUCTURE OF HUMAN AKR1B10 COMPLEXED WITH NADP+ AND THE INHIBITOR MK184
Descriptor:Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-chloro-2-[(2,4,6-tribromobenzyl)carbamoyl]phenoxy}acetic acid, ...
Authors:Cousido-Siah, A., Ruiz, F.X., Mitschler, A., Fanfrlik, J., Kamlar, M., Vesely, J., Hobza, P., Podjarny, A.
Deposit date:2016-07-15
Release date:2016-07-27
Last modified:2016-11-02
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors.
Acs Chem.Biol., 11, 2016
5LIY
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CRYSTAL STRUCTURE OF HUMAN AKR1B10 COMPLEXED WITH NADP+ AND THE INHIBITOR MK204
Descriptor:Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-chloro-2-[(pentabromobenzyl)carbamoyl]phenoxy}acetic acid, ...
Authors:Cousido-Siah, A., Ruiz, F.X., Mitschler, A., Fanfrlik, J., Kamlar, M., Vesely, J., Hobza, P., Podjarny, A.
Deposit date:2016-07-15
Release date:2016-10-12
Last modified:2016-11-02
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors.
Acs Chem.Biol., 11, 2016
5OU0
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CRYSTAL STRUCTURE OF HUMAN AKR1B1 COMPLEXED WITH NADP+ AND COMPOUND 37
Descriptor:Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 2-[5-(4-chlorophenyl)-3-methyl-1-oxidanylidene-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid
Authors:Cousido-Siah, A., Ruiz, F.X., Mitschler, A., Metwally, K., Podjarny, A.
Deposit date:2017-08-23
Release date:2018-05-09
Method:X-RAY DIFFRACTION (0.94 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
5OUJ
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CRYSTAL STRUCTURE OF HUMAN AKR1B1 COMPLEXED WITH NADP+ AND COMPOUND 39
Descriptor:Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 2-[(1~{R})-5-(4-chlorophenyl)-9-fluoranyl-3-methyl-1-oxidanyl-1~{H}-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid
Authors:Cousido-Siah, A., Ruiz, F.X., Mitschler, A., Metwally, K., Podjarny, A.
Deposit date:2017-08-24
Release date:2018-05-09
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
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