1S2C
 
 | | Crystal structures of prostaglandin D2 11-ketoreductase in complex with the non-steroidal anti-inflammatory drugs flufenamic acid and indomethacin | | 分子名称: | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID, Aldo-keto reductase family 1 member C3, DIMETHYL SULFOXIDE, ... | | 著者 | Lovering, A.L, Ride, J.P, Bunce, C.M, Desmond, J.C, Cummings, S.M, White, S.A. | | 登録日 | 2004-01-08 | | 公開日 | 2004-03-23 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structures of prostaglandin D(2) 11-ketoreductase (AKR1C3) in complex with the nonsteroidal anti-inflammatory drugs flufenamic acid and indomethacin.
Cancer Res., 64, 2004
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1T41
 | | Crystal structure of human aldose reductase complexed with NADP and IDD552 | | 分子名称: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [5-FLUORO-2-({[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-2-YL)METHYL]AMINO}CARBONYL)PHENOXY]ACETIC ACID | | 著者 | Ruiz, F, Hazemann, I, Mitschler, A, Chevrier, B, Schneider, T, Joachimiak, A, Karplus, M, Podjarny, A. | | 登録日 | 2004-04-28 | | 公開日 | 2004-08-03 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | The crystallographic structure of the aldose reductase-IDD552 complex shows direct proton donation from tyrosine 48.
Acta Crystallogr.,Sect.D, 60, 2004
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1UR3
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1VBJ
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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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4XK2
 | | Crystal structure of aldo-keto reductase from Polaromonas sp. JS666 | | 分子名称: | Aldo/keto reductase, CHLORIDE ION, SODIUM ION | | 著者 | Gasiorowska, O.A, Handing, K.B, Shabalin, I.G, Sroka, P, Hillerich, B.S, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | 登録日 | 2015-01-09 | | 公開日 | 2015-01-21 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structure of aldo-keto reductase from Polaromonas sp. JS666
to be published
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4XO7
 | | Crystal structure of human 3-alpha hydroxysteroid dehydrogenase type 3 in complex with NADP+, 5alpha-androstan-3,17-dione and (3beta, 5alpha)-3-hydroxyandrostan-17-one | | 分子名称: | 4-ANDROSTENE-3-17-DIONE, Aldo-keto reductase family 1 member C2, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Zhang, B, Hu, X.-J, Lin, S.-X. | | 登録日 | 2015-01-16 | | 公開日 | 2016-02-17 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Human 3 alpha-hydroxysteroid dehydrogenase type 3: structural clues of 5 alpha-DHT reverse binding and enzyme down-regulation decreasing MCF7 cell growth.
Biochem.J., 473, 2016
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3P2V
 | | Novel Benzothiazepine Inhibitor in Complex with human Aldose Reductase | | 分子名称: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [(2S)-4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetic acid | | 著者 | Koch, C, Heine, A, Klebe, G. | | 登録日 | 2010-10-04 | | 公開日 | 2011-08-24 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Ligand-induced fit affects binding modes and provokes changes in crystal packing of aldose reductase
Biochim.Biophys.Acta, 1810, 2011
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4XZH
 | | Crystal structure of human Aldose Reductase complexed with NADP+ and JF0048 | | 分子名称: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [3-(4-chloro-3-nitrobenzyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]acetic acid | | 著者 | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Dominguez, M, de Lera, A.R, Farres, J, Pares, X, Podjarny, A. | | 登録日 | 2015-02-04 | | 公開日 | 2015-11-18 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10.
Chemmedchem, 10, 2015
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4XZI
 | | Crystal structure of human Aldose Reductase complexed with NADP+ and JF0049 | | 分子名称: | 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 | | 著者 | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Dominguez, M, de Lera, A.R, Farres, J, Pares, X, Podjarny, A. | | 登録日 | 2015-02-04 | | 公開日 | 2015-11-18 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10.
Chemmedchem, 10, 2015
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4XZN
 | | Crystal structure of the methylated K125R/V301L AKR1B10 Holoenzyme | | 分子名称: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Podjarny, A. | | 登録日 | 2015-02-04 | | 公開日 | 2015-11-18 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10.
Chemmedchem, 10, 2015
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4XVD
 | | 17beta-HSD5 in complex with 4-nitro-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)phenol | | 分子名称: | 4-nitro-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)phenol, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Amano, Y, Yamaguchi, T, Niimi, T, Sakashita, H. | | 登録日 | 2015-01-27 | | 公開日 | 2015-04-15 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Structures of complexes of type 5 17 beta-hydroxysteroid dehydrogenase with structurally diverse inhibitors: insights into the conformational changes upon inhibitor binding.
Acta Crystallogr.,Sect.D, 71, 2015
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4XVE
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4XZL
 | | Crystal structure of human AKR1B10 complexed with NADP+ and JF0049 | | 分子名称: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Dominguez, M, de Lera, A.R, Farres, J, Pares, X, Podjarny, A. | | 登録日 | 2015-02-04 | | 公開日 | 2015-11-18 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10.
Chemmedchem, 10, 2015
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4XO6
 | | Crystal structure of human 3-alpha hydroxysteroid dehydrogenase type 3 in complex with NADP+, 5alpha-androstan-3,17-dione and (3beta, 5alpha)-3-hydroxyandrostan-17-one | | 分子名称: | (3Beta,5alpha)-3-Hydroxyandrostan-17-one, 1,2-ETHANEDIOL, 5ALPHA-ANDROSTAN-3,17-DIONE, ... | | 著者 | Zhang, B, Hu, X.-J, Lin, S.-X. | | 登録日 | 2015-01-16 | | 公開日 | 2016-02-17 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Human 3 alpha-hydroxysteroid dehydrogenase type 3: structural clues of 5 alpha-DHT reverse binding and enzyme down-regulation decreasing MCF7 cell growth.
Biochem.J., 473, 2016
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4XZM
 | | Crystal structure of the methylated wild-type AKR1B10 holoenzyme | | 分子名称: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Podjarny, A. | | 登録日 | 2015-02-04 | | 公開日 | 2015-11-18 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10.
Chemmedchem, 10, 2015
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4YU1
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3Q67
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4YVV
 | | Crystal structure of AKR1C3 complexed with glibenclamide | | 分子名称: | 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Zhao, Y, Zheng, X, Zhang, H, Hu, X. | | 登録日 | 2015-03-20 | | 公開日 | 2015-11-25 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | In vitro inhibition of AKR1Cs by sulphonylureas and the structural basis
Chem.Biol.Interact., 240, 2015
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4YVX
 | | Crystal structure of AKR1C3 complexed with glimepiride | | 分子名称: | 3-ethyl-4-methyl-N-[2-(4-{[(cis-4-methylcyclohexyl)carbamoyl]sulfamoyl}phenyl)ethyl]-2-oxo-2,5-dihydro-1H-pyrrole-1-car boxamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Zhao, Y, Zheng, X, Zhang, H, Hu, X. | | 登録日 | 2015-03-20 | | 公開日 | 2015-11-25 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | In vitro inhibition of AKR1Cs by sulphonylureas and the structural basis
Chem.Biol.Interact., 240, 2015
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4YS1
 | | Human Aldose Reductase complexed with a ligand with an IDD structure (2) at 1.07 A. | | 分子名称: | 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Rechlin, C, Heine, A, Klebe, G. | | 登録日 | 2015-03-16 | | 公開日 | 2016-03-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | | 主引用文献 | Price for Opening the Transient Specificity Pocket in Human Aldose Reductase upon Ligand Binding: Structural, Thermodynamic, Kinetic, and Computational Analysis.
ACS Chem. Biol., 12, 2017
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3R58
 | | AKR1C3 complex with naproxen | | 分子名称: | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, ... | | 著者 | Yosaatmadja, Y, Teague, R.M, Flanagan, J.U, Squire, C.J. | | 登録日 | 2011-03-18 | | 公開日 | 2012-03-28 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3.
Plos One, 7, 2012
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3R43
 | | AKR1C3 complexed with mefenamic acid | | 分子名称: | 1,2-ETHANEDIOL, 2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID, Aldo-keto reductase family 1 member C3, ... | | 著者 | Squire, C.J, Teague, R.M, Yosaatmadja, L. | | 登録日 | 2011-03-17 | | 公開日 | 2012-03-28 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3.
Plos One, 7, 2012
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3ONB
 | | Bond breakage and relocation of a covalently bound bromine of IDD594 in a complex with hAR T113A mutant after extensive radiation dose | | 分子名称: | Aldose reductase, BROMIDE ION, CITRIC ACID, ... | | 著者 | Koch, C, Heine, A, Klebe, G. | | 登録日 | 2010-08-28 | | 公開日 | 2011-08-17 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Radiation damage reveals promising interaction position
J.SYNCHROTRON RADIAT., 18, 2011
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3R6I
 | | AKR1C3 complex with meclofenamic acid | | 分子名称: | 1,2-ETHANEDIOL, 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid, Aldo-keto reductase family 1 member C3, ... | | 著者 | Yosaatmadja, Y, Teague, R.M, Flanagan, J.U, Squire, C.J. | | 登録日 | 2011-03-21 | | 公開日 | 2012-05-02 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3.
Plos One, 7, 2012
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