3EB4
 
 | | Voltage-dependent K+ channel beta subunit (I211R) in complex with cortisone | | Descriptor: | 17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Voltage-gated potassium channel subunit beta-2 | | Authors: | Pan, Y, Weng, J, Kabaleeswaran, V, Li, H, Cao, Y, Bhosle, R.C, Zhou, M. | | Deposit date: | 2008-08-26 | | Release date: | 2008-09-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Cortisone dissociates the Shaker family K+ channels from their beta subunits.
Nat.Chem.Biol., 4, 2008
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3ERP
 | | Structure of IDP01002, a putative oxidoreductase from and essential gene of Salmonella typhimurium | | Descriptor: | 1,2-ETHANEDIOL, CACODYLATE ION, CHLORIDE ION, ... | | Authors: | Singer, A.U, Minasov, G, Evdokimova, E, Brunzelle, J.S, Kudritska, M, Edwards, A.M, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2008-10-02 | | Release date: | 2008-11-04 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural and biochemical studies of novel aldo-keto reductases for the biocatalytic conversion of 3-hydroxybutanal to 1,3-butanediol.
Appl.Environ.Microbiol., 2017
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3F7J
 | | B.subtilis YvgN | | Descriptor: | NITRATE ION, POTASSIUM ION, YvgN protein | | Authors: | Zhou, Y.F, Lei, J, Liang, Y.H, Su, X.-D. | | Deposit date: | 2008-11-09 | | Release date: | 2008-11-25 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and biochemical analyses of YvgN and YtbE from Bacillus subtilis
Protein Sci., 18, 2009
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3CMF
 | | Crystal structure of human liver 5beta-reductase (AKR1D1) in complex with NADP and CORTISONE. Resolution 1.90 A. | | Descriptor: | 17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE, 3-oxo-5-beta-steroid 4-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Di Costanzo, L, Drury, J, Penning, T.M, Christianson, D.W. | | Deposit date: | 2008-03-21 | | Release date: | 2008-04-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of Human Liver {Delta}4-3-Ketosteroid 5{beta}-Reductase (AKR1D1) and Implications for Substrate Binding and Catalysis.
J.Biol.Chem., 283, 2008
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3DN5
 | | Aldose Reductase in complex with novel biarylic inhibitor | | Descriptor: | 3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Steuber, H, Klebe, G. | | Deposit date: | 2008-07-01 | | Release date: | 2009-04-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure-Based Optimization of Aldose Reductase Inhibitors Originating from Virtual Screening
Chemmedchem, 4, 2009
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3DOP
 | | Crystal structure of 5beta-reductase (AKR1D1) in complex with NADP+ and 5beta-dihydrotestosterone, Resolution 2.00A | | Descriptor: | 3-oxo-5-beta-steroid 4-dehydrogenase, 5-beta-DIHYDROTESTOSTERONE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Di Costanzo, L, Drury, J.E, Penning, T.M, Christianson, D.W. | | Deposit date: | 2008-07-05 | | Release date: | 2008-10-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and catalytic mechanism of human steroid 5beta-reductase (AKR1D1)
Mol.Cell.Endocrinol., 301, 2009
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3FJN
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3GHS
 | | Human aldose reductase in complex with NADP+ and the inhibitor IDD594. Investigation of global effects of radiation damage on protein structure. Second stage of radiation damage. | | Descriptor: | Aldose reductase, CITRIC ACID, IDD594, ... | | Authors: | Petrova, T, Ginell, S, Hazemann, I, Mitschler, A, Podjarny, A, Joachimiak, A. | | Deposit date: | 2009-03-04 | | Release date: | 2009-03-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | X-ray-radiation-induced cooperative atomic movements in protein.
J.Mol.Biol., 387, 2009
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3G1R
 | | Crystal structure of human liver 5beta-reductase (AKR1D1) in complex with NADP and Finasteride. Resolution 1.70 A | | Descriptor: | (4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-tert-butyl-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide, 3-oxo-5-beta-steroid 4-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Di Costanzo, L, Drury, J.E, Penning, T.M, Christianson, D.W. | | Deposit date: | 2009-01-30 | | Release date: | 2009-06-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.701 Å) | | Cite: | Inhibition of human steroid 5beta-reductase (AKR1D1) by finasteride and structure of the enzyme-inhibitor complex.
J.Biol.Chem., 284, 2009
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3G5E
 | | Human aldose reductase complexed with IDD 740 inhibitor | | Descriptor: | 2-(3-((4,5,7-trifluorobenzo[d]thiazol-2-yl)methyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)acetic acid, Aldose reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Podjarny, A.D, Van Zandt, M.C. | | Deposit date: | 2009-02-05 | | Release date: | 2009-03-24 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of [3-(4,5,7-trifluoro-benzothiazol-2-ylmethyl)-pyrrolo[2,3-b]pyridin-1-yl]acetic acids as highly potent and selective inhibitors of aldose reductase for treatment of chronic diabetic complications.
Bioorg.Med.Chem.Lett., 19, 2009
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3GHU
 | | Human aldose reductase in complex with NADP+ and the inhibitor IDD594. Investigation of global effects of radiation damage on protein structure. Forth stage of radiation damage. | | Descriptor: | Aldose reductase, CITRIC ACID, IDD594, ... | | Authors: | Petrova, T, Ginell, S, Hazemann, I, Mitschler, A, Podjarny, A, Joachimiak, A. | | Deposit date: | 2009-03-04 | | Release date: | 2009-03-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | X-ray-radiation-induced cooperative atomic movements in protein.
J.Mol.Biol., 387, 2009
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3FX4
 | | Porcine aldehyde reductase in ternary complex with inhibitor | | Descriptor: | Alcohol dehydrogenase [NADP+], NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ... | | Authors: | Carbone, V, El-Kabbani, O. | | Deposit date: | 2009-01-20 | | Release date: | 2009-12-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structure of aldehyde reductase in ternary complex with a 5-arylidene-2,4-thiazolidinedione aldose reductase inhibitor.
Eur.J.Med.Chem., 45, 2010
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3GHT
 | | Human aldose reductase in complex with NADP+ and the inhibitor IDD594. Investigation of global effects of radiation damage on protein structure. Third stage of radiation damage. | | Descriptor: | Aldose reductase, CITRIC ACID, IDD594, ... | | Authors: | Petrova, T, Ginell, S, Hazemann, I, Mitschler, A, Podjarny, A, Joachimiak, A. | | Deposit date: | 2009-03-04 | | Release date: | 2009-03-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | X-ray-radiation-induced cooperative atomic movements in protein.
J.Mol.Biol., 387, 2009
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3GHR
 | | Human aldose reductase in complex with NADP+ and the inhibitor IDD594. Investigation of global effects of radiation damage on protein structure. First stage of radiation damage | | Descriptor: | Aldose reductase, CITRIC ACID, IDD594, ... | | Authors: | Petrova, T, Ginell, S, Hazemann, I, Mitschler, A, Podjarny, A, Joachimiak, A. | | Deposit date: | 2009-03-04 | | Release date: | 2009-03-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | X-ray-radiation-induced cooperative atomic movements in protein.
J.Mol.Biol., 387, 2009
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3GUG
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3H7U
 | | Crystal structure of the plant stress-response enzyme AKR4C9 | | Descriptor: | ACETATE ION, Aldo-keto reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | White, S.A, Simpson, P.J, Ride, J.P. | | Deposit date: | 2009-04-28 | | Release date: | 2009-08-04 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Characterization of two novel aldo-keto reductases from Arabidopsis: expression patterns, broad substrate specificity, and an open active-site structure suggest a role in toxicant metabolism following stress.
J.Mol.Biol., 392, 2009
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3H4G
 | | Structure of aldehyde reductase holoenzyme in complex with potent aldose reductase inhibitor Fidarestat: Implications for inhibitor binding and selectivity | | Descriptor: | (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Alcohol dehydrogenase [NADP+], NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Carbone, V, El-Kabbani, O. | | Deposit date: | 2009-04-20 | | Release date: | 2009-05-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure of aldehyde reductase holoenzyme in complex with the potent aldose reductase inhibitor fidarestat: implications for inhibitor binding and selectivity
J.Med.Chem., 48, 2005
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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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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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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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1YNQ
 | | aldo-keto reductase AKR11C1 from Bacillus halodurans (holo form) | | Descriptor: | GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SODIUM ION, ... | | Authors: | Marquardt, T, Kostrewa, D, Winkler, F.K, Li, X.D. | | Deposit date: | 2005-01-25 | | Release date: | 2005-12-06 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | High-resolution Crystal Structure of AKR11C1 from Bacillus halodurans: An NADPH-dependent 4-Hydroxy-2,3-trans-nonenal Reductase
J.Mol.Biol., 354, 2005
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1ZGD
 | | Chalcone Reductase Complexed With NADP+ at 1.7 Angstrom Resolution | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, chalcone reductase | | Authors: | Bomati, E.K, Austin, M.B, Bowman, M.E, Dixon, R.A, Noel, J.P. | | Deposit date: | 2005-04-21 | | Release date: | 2005-06-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural elucidation of chalcone reductase and implications for deoxychalcone biosynthesis
J.Biol.Chem., 280, 2005
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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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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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