2F38
| Crystal structure of prostaglandin F synathase containing bimatoprost | Descriptor: | (5Z)-7-{(1R,2R,3R,5S)-3,5-DIHYDROXY-2-[(1E,3S)-3-HYDROXY-5-PHENYLPENT-1-ENYL]CYCLOPENTYL}-N-ETHYLHEPT-5-ENAMIDE, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Komoto, J, Yamada, T, Watanabe, K, Woodward, D.F, Takusagawa, F. | Deposit date: | 2005-11-18 | Release date: | 2006-10-31 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Prostaglandin F2alpha formation from prostaglandin H2 by prostaglandin F synthase (PGFS): crystal structure of PGFS containing bimatoprost. Biochemistry, 45, 2006
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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
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2INZ
| Crystal Structure of Aldose Reductase complexed with 2-Hydroxyphenylacetic Acid | Descriptor: | (2-HYDROXYPHENYL)ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Harrison, D.H.T, Pape, E, Carlson, E, Brownlee, J.M. | Deposit date: | 2006-10-09 | Release date: | 2006-11-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural and thermodynamic studies of simple aldose reductase-inhibitor complexes. Bioorg.Chem., 34, 2006
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2INE
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2IS7
| Crystal Structure of Aldose Reductase complexed with Dichlorophenylacetic acid | Descriptor: | (2,6-DICHLOROPHENYL)ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Harrison, D.H.T, Milne, A, Brownlee, J.M. | Deposit date: | 2006-10-16 | Release date: | 2006-11-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and thermodynamic studies of simple aldose reductase-inhibitor complexes. Bioorg.Chem., 34, 2006
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2IPW
| Crystal Structure of C298A W219Y Aldose Reductase complexed with Dichlorophenylacetic acid | Descriptor: | (2,6-DICHLOROPHENYL)ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Harrison, D.H.T, Pape, E, Brownlee, J.M. | Deposit date: | 2006-10-12 | Release date: | 2006-11-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and thermodynamic studies of simple aldose reductase-inhibitor complexes. Bioorg.Chem., 34, 2006
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2IQD
| Crystal Structure of Aldose Reductase complexed with Lipoic Acid | Descriptor: | Aldose reductase, LIPOIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Harrison, D.H.T, Carlson, E, Pape, E, Brownlee, J.M. | Deposit date: | 2006-10-13 | Release date: | 2006-11-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and thermodynamic studies of simple aldose reductase-inhibitor complexes. Bioorg.Chem., 34, 2006
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2ISF
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2IQ0
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2HEJ
| Crystal structure of 17alpha-hydroxysteroid dehydrogenase in complex with NADP(H) in a closed conformation | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, Aldo-keto reductase family 1, ... | Authors: | Faucher, F, Pereira de Jesus-Tran, K, Cantin, L, Luu-the, V, Labrie, F, Breton, R. | Deposit date: | 2006-06-21 | Release date: | 2006-12-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Crystal Structures of Mouse 17alpha-Hydroxysteroid Dehydrogenase (Apoenzyme and Enzyme-NADP(H) Binary Complex): Identification of Molecular Determinants Responsible for the Unique 17alpha-reductive Activity of this Enzyme. J.Mol.Biol., 364, 2006
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2HE8
| Crystal structure of 17alpha-hydroxysteroid dehydrogenase in its apo-form | Descriptor: | ACETATE ION, Aldo-keto reductase family 1, member C21, ... | Authors: | Faucher, F, Pereira de Jesus-Tran, K, Cantin, L, Luu-the, V, Labrie, F, Breton, R. | Deposit date: | 2006-06-21 | Release date: | 2006-12-05 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structures of Mouse 17alpha-Hydroxysteroid Dehydrogenase (Apoenzyme and Enzyme-NADP(H) Binary Complex): Identification of Molecular Determinants Responsible for the Unique 17alpha-reductive Activity of this Enzyme. J.Mol.Biol., 364, 2006
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2HDJ
| Crystal structure of human type 3 3alpha-hydroxysteroid dehydrogenase in complex with NADP(H) | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C2, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Faucher, F, Pereira de Jesus-Tran, K, Cantin, L, Luu-the, V, Labrie, F, Breton, R. | Deposit date: | 2006-06-20 | Release date: | 2006-12-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of Mouse 17alpha-Hydroxysteroid Dehydrogenase (Apoenzyme and Enzyme-NADP(H) Binary Complex): Identification of Molecular Determinants Responsible for the Unique 17alpha-reductive Activity of this Enzyme. J.Mol.Biol., 364, 2006
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2HE5
| Crystal structure of 17alpha-hydroxysteroid dehydrogenase in binary complex with NADP(H) in an open conformation | Descriptor: | ACETATE ION, Aldo-keto reductase family 1, member C21, ... | Authors: | Faucher, F, Pereira de Jesus-Tran, K, Cantin, L, Luu-the, V, Labrie, F, Breton, R. | Deposit date: | 2006-06-21 | Release date: | 2006-12-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structures of Mouse 17alpha-Hydroxysteroid Dehydrogenase (Apoenzyme and Enzyme-NADP(H) Binary Complex): Identification of Molecular Determinants Responsible for the Unique 17alpha-reductive Activity of this Enzyme. J.Mol.Biol., 364, 2006
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2FGB
| Crystal structure of human 17bet a-hydroxysteroid dehydrogenase type 5 in complexes with PEG and NADP | Descriptor: | ACETATE ION, Aldo-keto reductase family 1 member C3, HEXAETHYLENE GLYCOL, ... | Authors: | Qiu, W, Zhou, M, Azzi, A, Luu-The, V, Labrie, F, Lin, S.X. | Deposit date: | 2005-12-21 | Release date: | 2006-12-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structure-based inhibitor design for an enzyme that binds different steroids: a potent inhibitor for human type 5 17beta-hydroxysteroid dehydrogenase. J.Biol.Chem., 282, 2007
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1ZQ5
| Crystal structure of human androgenic 17beta-hydroxysteroid dehydrogenase type 5 in complexed with a potent inhibitor EM1404 | Descriptor: | 3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN, ACETATE ION, Aldo-keto reductase family 1 member C3, ... | Authors: | Qiu, W, Zhou, M, Ghanmi, D, Luu-The, V, Labrie, F, Lin, S.X. | Deposit date: | 2005-05-18 | Release date: | 2006-12-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure-based inhibitor design for an enzyme that binds different steroids: a potent inhibitor for human type 5 17beta-hydroxysteroid dehydrogenase. J.Biol.Chem., 282, 2007
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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. | Descriptor: | (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, CHLORIDE ION, ... | Authors: | Petrova, T, Hazemann, I, Cousido, A, Mitschler, A, Ginell, S, Joachimiak, A, Podjarny, A. | Deposit date: | 2007-04-03 | Release date: | 2007-04-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | Crystal packing modifies ligand binding affinity: The case of aldose reductase. Proteins, 80, 2012
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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. | Descriptor: | (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, CHLORIDE ION, ... | Authors: | Petrova, T, Hazemann, I, Cousido, A, Mitschler, A, Ginell, S, Joachimiak, A, Podjarny, A. | Deposit date: | 2007-04-04 | Release date: | 2007-04-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (0.85 Å) | Cite: | 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. | Descriptor: | (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, CHLORIDE ION, ... | Authors: | Petrova, T, Hazemann, I, Cousido, A, Mitschler, A, Ginell, S, Joachimiak, A, Podjarny, A. | Deposit date: | 2007-04-05 | Release date: | 2007-04-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (0.85 Å) | Cite: | Crystal packing modifies ligand binding affinity: The case of aldose reductase. Proteins, 80, 2012
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2NVD
| Human Aldose Reductase complexed with novel naphtho[1,2-d]isothiazole acetic acid derivative (2) | Descriptor: | 2-(CARBOXYMETHYL)-1-OXO-1,2-DIHYDRONAPHTHO[1,2-D]ISOTHIAZOLE-4-CARBOXYLIC ACID 3,3-DIOXIDE, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Steuber, H, Heine, A, Klebe, G. | Deposit date: | 2006-11-12 | Release date: | 2007-04-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Evidence for a novel binding site conformer of aldose reductase in ligand-bound state J.Mol.Biol., 369, 2007
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2NVC
| Human Aldose Reductase complexed with novel naphtho[1,2-d]isothiazole acetic acid derivative (3) | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {4-[(CARBOXYMETHOXY)CARBONYL]-3,3-DIOXIDO-1-OXONAPHTHO[1,2-D]ISOTHIAZOL-2(1H)-YL}ACETIC ACID | Authors: | Steuber, H, Heine, A, Klebe, G. | Deposit date: | 2006-11-12 | Release date: | 2007-04-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Evidence for a novel binding site conformer of aldose reductase in ligand-bound state J.Mol.Biol., 369, 2007
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2IKI
| Human aldose reductase complexed with halogenated IDD-type inhibitor | Descriptor: | (2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Steuber, H, Koch, C, Heine, A, Klebe, G. | Deposit date: | 2006-10-02 | Release date: | 2007-05-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Structural and Thermodynamic Study on Aldose Reductase: Nitro-substituted Inhibitors with Strong Enthalpic Binding Contribution J.Mol.Biol., 368, 2007
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2IKG
| Aldose reductase complexed with nitrophenyl-oxadiazol type inhibitor at 1.43 A | Descriptor: | 4-[3-(3-NITROPHENYL)-1,2,4-OXADIAZOL-5-YL]BUTANOIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Steuber, H, Koch, C, Heine, A, Klebe, G. | Deposit date: | 2006-10-02 | Release date: | 2007-05-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Structural and Thermodynamic Study on Aldose Reductase: Nitro-substituted Inhibitors with Strong Enthalpic Binding Contribution J.Mol.Biol., 368, 2007
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2IKH
| Human aldose reductase complexed with nitrofuryl-oxadiazol inhibitor at 1.55 A | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {[5-(5-NITRO-2-FURYL)-1,3,4-OXADIAZOL-2-YL]THIO}ACETIC ACID | Authors: | Steuber, H, Koch, C, Heine, A, Klebe, G. | Deposit date: | 2006-10-02 | Release date: | 2007-05-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural and Thermodynamic Study on Aldose Reductase: Nitro-substituted Inhibitors with Strong Enthalpic Binding Contribution J.Mol.Biol., 368, 2007
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2IKJ
| Human aldose reductase complexed with nitro-substituted IDD-type inhibitor | Descriptor: | (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Steuber, H, Koch, C, Heine, A, Klebe, G. | Deposit date: | 2006-10-02 | Release date: | 2007-05-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural and Thermodynamic Study on Aldose Reductase: Nitro-substituted Inhibitors with Strong Enthalpic Binding Contribution J.Mol.Biol., 368, 2007
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2J8T
| Human aldose reductase in complex with NADP and citrate at 0.82 angstrom | Descriptor: | ALDO-KETO REDUCTASE FAMILY 1, MEMBER B1, CITRATE ANION, ... | Authors: | Biadene, M, Hazemann, I, Cousido, A, Ginell, S, Sheldrick, G.M, Podjarny, A, Schneider, T.R. | Deposit date: | 2006-10-27 | Release date: | 2007-05-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (0.82 Å) | Cite: | 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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