3C3U
 
 | | Crystal structure of AKR1C1 in complex with NADP and 3,5-dichlorosalicylic acid | | Descriptor: | 3,5-dichloro-2-hydroxybenzoic acid, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Dhagat, U, El-Kabbani, O. | | Deposit date: | 2008-01-28 | | Release date: | 2008-08-26 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Selectivity determinants of inhibitor binding to human 20alpha-hydroxysteroid dehydrogenase: crystal structure of the enzyme in ternary complex with coenzyme and the potent inhibitor 3,5-dichlorosalicylic acid
J.Med.Chem., 51, 2008
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3CV6
 | | The crystal structure of mouse 17-alpha hydroxysteroid dehydrogenase GG225.226PP mutant in complex with inhibitor and cofactor NADP+. | | Descriptor: | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol, Aldo-keto reductase family 1 member C21, BETA-MERCAPTOETHANOL, ... | | Authors: | Dhagat, U, El-Kabbani, O. | | Deposit date: | 2008-04-17 | | Release date: | 2009-03-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of the G225P/G226P mutant of mouse 3(17)alpha-hydroxysteroid dehydrogenase (AKR1C21) ternary complex: implications for the binding of inhibitor and substrate.
Acta Crystallogr.,Sect.D, 65, 2009
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3D3F
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3BCJ
 | | Crystal structure of Aldose Reductase complexed with 2S4R (Stereoisomer of Fidarestat, 2S4S) at 0.78 A | | Descriptor: | (2S,4R)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, CITRIC ACID, ... | | Authors: | Zhao, H.T, El-Kabbani, O. | | Deposit date: | 2007-11-13 | | Release date: | 2008-04-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (0.78 Å) | | Cite: | 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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3B3D
 | | B.subtilis YtbE | | Descriptor: | CALCIUM ION, Putative morphine dehydrogenase | | Authors: | Zhou, Y.F, Li, L.F, Liang, Y.H, Su, X.-D. | | Deposit date: | 2007-10-20 | | Release date: | 2008-10-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and biochemical analyses of YvgN and YtbE from Bacillus subtilis
Protein Sci., 18, 2009
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3KRB
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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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3M4H
 | | Human Aldose Reductase mutant T113V complexed with IDD388 | | Descriptor: | (2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID, Aldose reductase, BROMIDE ION, ... | | Authors: | Koch, C, Heine, A, Klebe, G. | | Deposit date: | 2010-03-11 | | Release date: | 2010-12-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (0.94 Å) | | Cite: | Tracing the detail: how mutations affect binding modes and thermodynamic signatures of closely related aldose reductase inhibitors
J.Mol.Biol., 406, 2011
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3COT
 | | Crystal structure of human liver delta(4)-3-ketosteroid 5beta-reductase (akr1d1) in complex with progesterone and nadp. Resolution: 2.03 A. | | Descriptor: | 3-oxo-5-beta-steroid 4-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROGESTERONE | | Authors: | Di Costanzo, L, Drury, J, Penning, T.M, Christianson, D.W. | | Deposit date: | 2008-03-29 | | Release date: | 2008-04-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.03 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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3MB9
 | | Human Aldose Reductase mutant T113A complexed with Zopolrestat | | Descriptor: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Koch, C, Heine, A, Klebe, G. | | Deposit date: | 2010-03-25 | | Release date: | 2011-03-09 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Ligand-induced fit affects binding modes and provokes changes in crystal packing of aldose reductase
Biochim.Biophys.Acta, 1810, 2011
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3MC5
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3M64
 | | Human aldose reductase mutant T113V complexed with IDD393 | | Descriptor: | (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Koch, C, Heine, A, Klebe, G. | | Deposit date: | 2010-03-15 | | Release date: | 2011-03-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Ligand-induced fit affects binding modes and provokes changes in crystal packing of aldose reductase
Biochim.Biophys.Acta, 1810, 2011
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3M0I
 | | Human Aldose Reductase mutant T113V in complex with Zopolrestat | | Descriptor: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose Reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Koch, C, Heine, A, Klebe, G. | | Deposit date: | 2010-03-03 | | Release date: | 2011-03-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | Ligand-induced fit affects binding modes and provokes changes in crystal packing of aldose reductase
Biochim.Biophys.Acta, 1810, 2011
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3N2T
 | | Structure of the glycerol dehydrogenase AKR11B4 from Gluconobacter oxydans | | Descriptor: | Putative oxidoreductase | | Authors: | Richter, N, Breicha, K, Hummel, W, Niefind, K. | | Deposit date: | 2010-05-19 | | Release date: | 2010-07-21 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Three-Dimensional Structure of AKR11B4, a Glycerol Dehydrogenase from Gluconobacter oxydans, Reveals a Tryptophan Residue as an Accelerator of Reaction Turnover.
J.Mol.Biol., 404, 2010
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3BV7
 | | Crystal structure of Delta(4)-3-ketosteroid 5-beta-reductase in complex with NADP and glycerol. Resolution: 1.79 A. | | Descriptor: | 3-oxo-5-beta-steroid 4-dehydrogenase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Di Costanzo, L, Drury, J, Penning, T.M, Christianson, D.W. | | Deposit date: | 2008-01-04 | | Release date: | 2008-04-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.79 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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3EB3
 | | Voltage-dependent K+ channel beta subunit (W121A) 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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3EAU
 | | Voltage-dependent K+ channel beta subunit 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 (1.82 Å) | | Cite: | Cortisone dissociates the Shaker family K+ channels from their beta subunits.
Nat.Chem.Biol., 4, 2008
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3LZ5
 | | Human aldose reductase mutant T113V complexed with IDD594 | | Descriptor: | Aldose Reductase, CITRIC ACID, IDD594, ... | | Authors: | Koch, C, Heine, A, Klebe, G. | | Deposit date: | 2010-03-01 | | Release date: | 2010-12-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Tracing the detail: how mutations affect binding modes and thermodynamic signatures of closely related aldose reductase inhibitors
J.Mol.Biol., 406, 2011
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3N6Q
 | | Crystal structure of YghZ from E. coli | | Descriptor: | MAGNESIUM ION, YghZ aldo-keto reductase | | Authors: | Zubieta, C, Totir, M, Echols, N, May, A, Alber, T. | | Deposit date: | 2010-05-26 | | Release date: | 2011-06-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Macro-to-Micro Structural Proteomics: Native Source Proteins for High-Throughput Crystallization.
Plos One, 7, 2012
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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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3O0K
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3BUR
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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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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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