1US0
 
 | | Human Aldose Reductase in complex with NADP+ and the inhibitor IDD594 at 0.66 Angstrom | | 分子名称: | ALDOSE REDUCTASE, CITRIC ACID, IDD594, ... | | 著者 | Howard, E.I, Sanishvili, R, Cachau, R.E, Mitschler, A, Chevrier, B, Barth, P, Lamour, V, Van Zandt, M, Sibley, E, Bon, C, Moras, D, Schneider, T.R, Joachimiak, A, Podjarny, A. | | 登録日 | 2003-11-16 | | 公開日 | 2004-05-07 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (0.66 Å) | | 主引用文献 | Ultrahigh Resolution Drug Design I: Details of Interactions in Human Aldose Reductase-Inhibitor Complex at 0.66 A.
Proteins, 55, 2004
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4LBS
 | | Crystal structure of human AR complexed with NADP+ and {2-[(4-bromo-2,6-difluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | | 分子名称: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-bromo-2,6-difluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | | 著者 | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A. | | 登録日 | 2013-06-21 | | 公開日 | 2014-04-30 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (0.76 Å) | | 主引用文献 | Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
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3BCJ
 | | 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
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2QXW
 | | Perdeuterated alr2 in complex with idd594 | | 分子名称: | Aldose reductase, CITRIC ACID, IDD594, ... | | 著者 | Blakeley, M.P, Ruiz, F, Cachau, R, Hazemann, I, Meilleur, F, Mitschler, A, Ginell, S, Afonine, P, Ventura, O, Cousido-Siah, A, Joachimiak, A, Myles, D, Podjarny, A. | | 登録日 | 2007-08-13 | | 公開日 | 2008-01-22 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (0.8 Å) | | 主引用文献 | Quantum model of catalysis based on a mobile proton revealed by subatomic x-ray and neutron diffraction studies of h-aldose reductase.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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4LB3
 | | Crystal structure of human AR complexed with NADP+ and {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid | | 分子名称: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid | | 著者 | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A. | | 登録日 | 2013-06-20 | | 公開日 | 2014-04-30 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (0.8 Å) | | 主引用文献 | Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
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4LBR
 | | Crystal structure of human AR complexed with NADP+ and {5-chloro-2-[(2,6-difluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid | | 分子名称: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-chloro-2-[(2,6-difluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid | | 著者 | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A. | | 登録日 | 2013-06-21 | | 公開日 | 2014-04-30 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (0.8 Å) | | 主引用文献 | Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
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4LB4
 | | Crystal structure of human AR complexed with NADP+ and {2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | | 分子名称: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | | 著者 | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A. | | 登録日 | 2013-06-20 | | 公開日 | 2014-04-30 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (0.8 Å) | | 主引用文献 | Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
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2I17
 | | Human aldose reductase in complex with NADP+ and the inhibitor IDD594 at temperature of 60K | | 分子名称: | Aldose reductase, CITRIC ACID, IDD594, ... | | 著者 | Petrova, T, Ginell, S, Mitshler, A, Hasemann, I, Schneider, T, Cousido, A, Lunin, V.Y, Joachimiak, A, Podjarny, A. | | 登録日 | 2006-08-13 | | 公開日 | 2006-08-29 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (0.81 Å) | | 主引用文献 | Ultrahigh-resolution study of protein atomic displacement parameters at cryotemperatures obtained with a helium cryostat.
Acta Crystallogr.,Sect.D, 62, 2006
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2I16
 | | Human aldose reductase in complex with NADP+ and the inhibitor IDD594 at temperature of 15K | | 分子名称: | Aldose reductase, CITRIC ACID, IDD594, ... | | 著者 | Petrova, T, Ginell, S, Mitshler, A, Hasemann, I, Schneider, T, Cousido, A, Lunin, V.Y, Joachimiak, A, Podjarny, A. | | 登録日 | 2006-08-13 | | 公開日 | 2006-08-29 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (0.81 Å) | | 主引用文献 | Ultrahigh-resolution study of protein atomic displacement parameters at cryotemperatures obtained with a helium cryostat.
Acta Crystallogr.,Sect.D, 62, 2006
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2J8T
 | | Human aldose reductase in complex with NADP and citrate at 0.82 angstrom | | 分子名称: | ALDO-KETO REDUCTASE FAMILY 1, MEMBER B1, CITRATE ANION, ... | | 著者 | Biadene, M, Hazemann, I, Cousido, A, Ginell, S, Sheldrick, G.M, Podjarny, A, Schneider, T.R. | | 登録日 | 2006-10-27 | | 公開日 | 2007-05-29 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (0.82 Å) | | 主引用文献 | The Atomic Resolution Structure of Human Aldose Reductase Reveals that Rearrangement of a Bound Ligand Allows the Opening of the Safety-Belt Loop.
Acta Crystallogr.,Sect.D, 63, 2007
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4LAU
 | | Crystal structure of human AR complexed with NADP+ and {2-[(4-bromobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | | 分子名称: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-bromobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | | 著者 | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A. | | 登録日 | 2013-06-20 | | 公開日 | 2014-04-30 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (0.843 Å) | | 主引用文献 | Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
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4IGS
 | | Crystal structure of human Aldose Reductase complexed with NADP+ and JF0064 | | 分子名称: | 2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | 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. | | 登録日 | 2012-12-18 | | 公開日 | 2014-03-19 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (0.85 Å) | | 主引用文献 | 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
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2PF8
 | | Complex of Aldose Reductase with NADP+ and simaltaneously bound competetive inhibitors Fidarestat and IDD594. Concentration of Fidarestat in soaking solution is equal to concentration of IDD594. | | 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, Hazemann, I, Cousido, A, Mitschler, A, Ginell, S, Joachimiak, A, Podjarny, A. | | 登録日 | 2007-04-04 | | 公開日 | 2007-04-17 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (0.85 Å) | | 主引用文献 | Crystal packing modifies ligand binding affinity: The case of aldose reductase.
Proteins, 80, 2012
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2PFH
 | | Complex of Aldose Reductase with NADP+ and simaltaneously bound competetive inhibitors Fidarestat and IDD594. Concentration of Fidarestat in soaking solution is less than concentration of IDD594. | | 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, Hazemann, I, Cousido, A, Mitschler, A, Ginell, S, Joachimiak, A, Podjarny, A. | | 登録日 | 2007-04-05 | | 公開日 | 2007-04-17 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (0.85 Å) | | 主引用文献 | Crystal packing modifies ligand binding affinity: The case of aldose reductase.
Proteins, 80, 2012
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4LAZ
 | | Crystal structure of human AR complexed with NADP+ and {5-chloro-2-[(4-iodobenzyl)carbamoyl]phenoxy}acetic acid | | 分子名称: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-chloro-2-[(4-iodobenzyl)carbamoyl]phenoxy}acetic acid | | 著者 | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A. | | 登録日 | 2013-06-20 | | 公開日 | 2014-04-30 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (0.85 Å) | | 主引用文献 | Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
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4QXI
 | | Crystal structure of human AR complexed with NADP+ and AK198 | | 分子名称: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-amino-2-fluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | | 著者 | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Hobza, P, Podjarny, A.D. | | 登録日 | 2014-07-21 | | 公開日 | 2015-07-22 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (0.867 Å) | | 主引用文献 | The Effect of Halogen-to-Hydrogen Bond Substitution on Human Aldose Reductase Inhibition.
Acs Chem.Biol., 10, 2015
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2PEV
 | | Complex of Aldose Reductase with NADP+ and simaltaneously bound competetive inhibitors Fidarestat and IDD594. Concentration of Fidarestat in soaking solution exceeds concentration of IDD594. | | 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, Hazemann, I, Cousido, A, Mitschler, A, Ginell, S, Joachimiak, A, Podjarny, A. | | 登録日 | 2007-04-03 | | 公開日 | 2007-04-17 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (0.9 Å) | | 主引用文献 | Crystal packing modifies ligand binding affinity: The case of aldose reductase.
Proteins, 80, 2012
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4GCA
 | | Complex of Aldose Reductase with inhibitor IDD 1219 | | 分子名称: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2,6-dimethyl-5-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-yl}acetic acid | | 著者 | Podjarny, A.D, Van Zandt, M, Geraci, L.S. | | 登録日 | 2012-07-30 | | 公開日 | 2013-07-31 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (0.9 Å) | | 主引用文献 | Complex of Aldose Reductase with inhibitor IDD 1219
TO BE PUBLISHED
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1PWM
 | | 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
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6F7R
 | | AKR1B1 at 0.03 MGy radiation dose. | | 分子名称: | Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Castellvi, A, Juanhuix, J. | | 登録日 | 2017-12-11 | | 公開日 | 2019-03-13 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (0.92 Å) | | 主引用文献 | Efficacy of aldose reductase inhibitors is affected by oxidative stress induced under X-ray irradiation.
Sci Rep, 9, 2019
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6SYW
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8A4N
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6Y1P
 | | Human Aldose Reductase Mutant L300/301A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid) | | 分子名称: | 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid, Aldo-keto reductase family 1 member B1, CITRIC ACID, ... | | 著者 | Hubert, L.-S, Ley, M, Heine, A, Klebe, G. | | 登録日 | 2020-02-13 | | 公開日 | 2021-02-24 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (0.94 Å) | | 主引用文献 | Human Aldose Reductase Mutant L300/301A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid)
To Be Published
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8CNP
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5OU0
 | | Crystal structure of human AKR1B1 complexed with NADP+ and compound 37 | | 分子名称: | 2-[5-(4-chlorophenyl)-3-methyl-1-oxidanylidene-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Metwally, K, Podjarny, A. | | 登録日 | 2017-08-23 | | 公開日 | 2018-05-09 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (0.94 Å) | | 主引用文献 | 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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