3BUV
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![BU of 3buv by Molmil](/molmil-images/mine/3buv) | Crystal structure of human Delta(4)-3-ketosteroid 5-beta-reductase in complex with NADP and HEPES. Resolution: 1.35 A. | Descriptor: | 3-oxo-5-beta-steroid 4-dehydrogenase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ... | Authors: | Di Costanzo, L, Drury, J, Penning, T.M, Christianson, D.W. | Deposit date: | 2008-01-03 | Release date: | 2008-04-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.35 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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3BCJ
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![BU of 3bcj by Molmil](/molmil-images/mine/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
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![BU of 3b3d by Molmil](/molmil-images/mine/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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2VDG
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![BU of 2vdg by Molmil](/molmil-images/mine/2vdg) | Barley Aldose Reductase 1 complex with butanol | Descriptor: | 1-BUTANOL, ALDOSE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Olsen, J.G, Pedersen, L, Christensen, C.L, Olsen, O, Henriksen, A. | Deposit date: | 2007-10-08 | Release date: | 2008-03-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Barley Aldose Reductase: Structure, Cofactor Binding, and Substrate Recognition in the Aldo/Keto Reductase 4C Family. Proteins: Struct., Funct., Bioinf., 71, 2008
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2R9R
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![BU of 2r9r by Molmil](/molmil-images/mine/2r9r) | Shaker family voltage dependent potassium channel (kv1.2-kv2.1 paddle chimera channel) in association with beta subunit | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, ... | Authors: | Long, S.B, Tao, X, Campbell, E.B, Mackinnon, R. | Deposit date: | 2007-09-13 | Release date: | 2007-11-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Atomic structure of a voltage-dependent K+ channel in a lipid membrane-like environment. Nature, 450, 2007
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2R24
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![BU of 2r24 by Molmil](/molmil-images/mine/2r24) | Human Aldose Reductase structure | Descriptor: | Aldose reductase, IDD594, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Blakeley, M.P, Ruiz, F, Cachau, R, Hazemann, I, Meilleur, F, Mitschler, A, Ginell, S, Afonine, P, Ventura, O.N, Cousido-Siah, A, Haertlein, M, Joachimiak, A, Myles, D, Podjarny, A. | Deposit date: | 2007-08-24 | Release date: | 2008-12-23 | Last modified: | 2024-02-21 | Method: | NEUTRON DIFFRACTION (1.752 Å), X-RAY DIFFRACTION | Cite: | Quantum model of catalysis based on 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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2QXW
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![BU of 2qxw by Molmil](/molmil-images/mine/2qxw) | Perdeuterated alr2 in complex with idd594 | Descriptor: | Aldose reductase, CITRIC ACID, IDD594, ... | Authors: | 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. | Deposit date: | 2007-08-13 | Release date: | 2008-01-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (0.8 Å) | Cite: | 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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2PZN
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![BU of 2pzn by Molmil](/molmil-images/mine/2pzn) | The crystallographic structure of Aldose Reductase IDD393 complex confirms Leu300 as a specificity determinant | Descriptor: | (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Ruiz, F, Hazemann, I, Darmanin, C, Mitschler, A, Van Zandt, M, Joachimiak, A, El-Kabbani, O, Podjarny, A. | Deposit date: | 2007-05-18 | Release date: | 2008-05-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | The Crystallographic Structure of Alr2-Idd393 Complex Confirms Leu300 as a Specificity Determinant To be Published
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2PFH
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![BU of 2pfh by Molmil](/molmil-images/mine/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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2PF8
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![BU of 2pf8 by Molmil](/molmil-images/mine/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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2PEV
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![BU of 2pev by Molmil](/molmil-images/mine/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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2PDK
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![BU of 2pdk by Molmil](/molmil-images/mine/2pdk) | Human aldose reductase mutant L301M complexed with sorbinil. | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SORBINIL | Authors: | Steuber, H, Heine, A, Klebe, G. | Deposit date: | 2007-04-01 | Release date: | 2008-04-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features. J.Mol.Biol., 379, 2008
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2PDJ
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![BU of 2pdj by Molmil](/molmil-images/mine/2pdj) | Human aldose reductase mutant L300A complexed with IDD393. | Descriptor: | (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Steuber, H, Heine, A, Klebe, G. | Deposit date: | 2007-04-01 | Release date: | 2008-04-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features. J.Mol.Biol., 379, 2008
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2PDW
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![BU of 2pdw by Molmil](/molmil-images/mine/2pdw) | Human aldose reductase mutant C303D complexed with fidarestat. | Descriptor: | (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Steuber, H, Heine, A, Klebe, G. | Deposit date: | 2007-04-01 | Release date: | 2008-04-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features. J.Mol.Biol., 379, 2008
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2PDN
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![BU of 2pdn by Molmil](/molmil-images/mine/2pdn) | Human aldose reductase mutant S302R complexed with uracil-type inhibitor. | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {3-[(5-CHLORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL}ACETIC ACID | Authors: | Steuber, H, Heine, A, Klebe, G. | Deposit date: | 2007-04-01 | Release date: | 2008-04-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features. J.Mol.Biol., 379, 2008
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2PDU
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![BU of 2pdu by Molmil](/molmil-images/mine/2pdu) | Human aldose reductase mutant C303D complexed with IDD393. | Descriptor: | (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Steuber, H, Heine, A, Klebe, G. | Deposit date: | 2007-04-01 | Release date: | 2008-04-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features. J.Mol.Biol., 379, 2008
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2PDI
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![BU of 2pdi by Molmil](/molmil-images/mine/2pdi) | Human aldose reductase mutant L300A complexed with zopolrestat at 1.55 A. | Descriptor: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Steuber, H, Heine, A, Klebe, G. | Deposit date: | 2007-04-01 | Release date: | 2008-04-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features. J.Mol.Biol., 379, 2008
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2PDY
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![BU of 2pdy by Molmil](/molmil-images/mine/2pdy) | Human aldose reductase double mutant S302R-C303D complexed with fidarestat. | Descriptor: | (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Steuber, H, Heine, A, Klebe, G. | Deposit date: | 2007-04-01 | Release date: | 2008-04-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features. J.Mol.Biol., 379, 2008
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2PDX
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![BU of 2pdx by Molmil](/molmil-images/mine/2pdx) | Human aldose reductase double mutant S302R-C303D 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: | Steuber, H, Heine, A, Klebe, G. | Deposit date: | 2007-04-01 | Release date: | 2008-04-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features. J.Mol.Biol., 379, 2008
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2PDP
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![BU of 2pdp by Molmil](/molmil-images/mine/2pdp) | Human aldose reductase mutant S302R complexed with IDD 393. | Descriptor: | (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Steuber, H, Heine, A, Klebe, G. | Deposit date: | 2007-04-01 | Release date: | 2008-04-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features. J.Mol.Biol., 379, 2008
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2PDM
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![BU of 2pdm by Molmil](/molmil-images/mine/2pdm) | Human aldose reductase mutant S302R 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: | Steuber, H, Heine, A, Klebe, G. | Deposit date: | 2007-04-01 | Release date: | 2008-04-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features. J.Mol.Biol., 379, 2008
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2PDQ
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![BU of 2pdq by Molmil](/molmil-images/mine/2pdq) | Human aldose reductase mutant C303D complexed with uracil-type inhibitor. | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {3-[(5-CHLORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL}ACETIC ACID | Authors: | Steuber, H, Heine, A, Klebe, G. | Deposit date: | 2007-04-01 | Release date: | 2008-04-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features. J.Mol.Biol., 379, 2008
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2PDL
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![BU of 2pdl by Molmil](/molmil-images/mine/2pdl) | |
2PD5
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![BU of 2pd5 by Molmil](/molmil-images/mine/2pd5) | Human aldose reductase mutant V47I 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: | Steuber, H, Heine, A, Klebe, G. | Deposit date: | 2007-03-31 | Release date: | 2008-04-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features. J.Mol.Biol., 379, 2008
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2PDC
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![BU of 2pdc by Molmil](/molmil-images/mine/2pdc) | Human aldose reductase mutant F121P complexed with IDD393. | Descriptor: | (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Steuber, H, Heine, A, Klebe, G. | Deposit date: | 2007-03-31 | Release date: | 2008-04-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features. J.Mol.Biol., 379, 2008
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