5LIX
 
 | | Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor MK184 | | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Fanfrlik, J, Kamlar, M, Vesely, J, Hobza, P, Podjarny, A. | | Deposit date: | 2016-07-15 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors.
Acs Chem.Biol., 11, 2016
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5LIU
 | | Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor IDD388 | | Descriptor: | (2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, ... | | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Fanfrlik, J, Kamlar, M, Vesely, J, Hobza, P, Podjarny, A. | | Deposit date: | 2016-07-15 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors.
Acs Chem.Biol., 11, 2016
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8XR2
 | | Crystal structure of AKRtyl-apo1 | | Descriptor: | Aldo/keto reductase | | Authors: | Lin, S, Dai, S, Xiao, Z. | | Deposit date: | 2024-01-06 | | Release date: | 2024-04-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D.
Nat Commun, 15, 2024
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8XR4
 | | Crystal structure of AKRtyl-NADP(H) complex | | Descriptor: | Aldo/keto reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Lin, S, Dai, S, Xiao, Z. | | Deposit date: | 2024-01-06 | | Release date: | 2024-04-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D.
Nat Commun, 15, 2024
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8XR3
 | | Crystal structure of AKRtyl-apo2 | | Descriptor: | Aldo/keto reductase | | Authors: | Lin, S, Dai, S, Xiao, Z. | | Deposit date: | 2024-01-06 | | Release date: | 2024-04-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D.
Nat Commun, 15, 2024
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6HG6
 | | Clostridium beijerinckii aldo-keto reductase Cbei_3974 with NADPH | | Descriptor: | 1,2-ETHANEDIOL, L-glyceraldehyde 3-phosphate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Scott, A.F, Cresser-Brown, J, Rizkallah, P.J, Jin, Y, Allemann, R.K. | | Deposit date: | 2018-08-22 | | Release date: | 2019-05-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal Structure and Biophysical Analysis of Furfural-Detoxifying Aldehyde Reductase from Clostridium beijerinckii.
Appl.Environ.Microbiol., 85, 2019
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6GXK
 | | Crystal structure of Aldo-Keto Reductase 1C3 (AKR1C3) complexed with inhibitor. | | Descriptor: | 1,2-ETHANEDIOL, 4-[[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]methyl]-1,2,5-oxadiazol-3-one, Aldo-keto reductase family 1 member C3, ... | | Authors: | Goyal, P, Wahlgren, W.Y, Friemann, R. | | Deposit date: | 2018-06-27 | | Release date: | 2019-05-08 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Bioisosteres of Indomethacin as Inhibitors of Aldo-Keto Reductase 1C3.
Acs Med.Chem.Lett., 10, 2019
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8USU
 | | Crystal Structure of L-galactose 1-dehydrogenase of Myrciaria dubia in complex with NAD | | Descriptor: | L-galactose dehydrogenase isoform X1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Santillan, J.A.V, Cabrejos, D.A.L, Pereira, H.M, Gomez, J.C.C, Garratt, R.C. | | Deposit date: | 2023-10-30 | | Release date: | 2024-03-13 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | Structural insights into the Smirnoff-Wheeler pathway for vitamin C production in the Amazon fruit camu-camu.
J.Exp.Bot., 75, 2024
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6KBL
 | | Structure-function study of AKR4C14, an aldo-keto reductase from Thai Jasmine rice (Oryza sativa L. ssp. Indica cv. KDML105) | | Descriptor: | ACETATE ION, Aldo-keto reductase, CACODYLATE ION, ... | | Authors: | Songsiriritthigul, C, Narawongsanont, R, Guan, H.H, Chen, C.J. | | Deposit date: | 2019-06-25 | | Release date: | 2020-05-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-function study of AKR4C14, an aldo-keto reductase from Thai jasmine rice (Oryza sativa L. ssp. indica cv. KDML105).
Acta Crystallogr D Struct Biol, 76, 2020
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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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3GUG
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2F2K
 | | Aldose reductase tertiary complex with NADPH and DEG | | Descriptor: | Aldose reductase, GAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Singh, R, White, M.A, Ramana, K.V, Petrash, J.M, Watowich, S.J, Bhatnagar, A, Srivastava, S.K. | | Deposit date: | 2005-11-17 | | Release date: | 2006-05-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structure of a glutathione conjugate bound to the active site of aldose reductase.
Proteins, 64, 2006
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3BUR
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4QX4
 | | Human Aldose Reductase complexed with a ligand with a new scaffold at 1.26 A | | Descriptor: | (3-thioxo-2,3-dihydro-5H-[1,2,4]triazino[5,6-b]indol-5-yl)acetic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Rechlin, C, Heine, A, Klebe, G. | | Deposit date: | 2014-07-18 | | Release date: | 2015-04-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.259 Å) | | Cite: | Identification of novel aldose reductase inhibitors based on carboxymethylated mercaptotriazinoindole scaffold.
J.Med.Chem., 58, 2015
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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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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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3CAS
 | | Crystal structure of 5beta-reductase (AKR1D1) in complex with NADP+ and 4-androstenedione | | Descriptor: | 1,2-ETHANEDIOL, 3-oxo-5-beta-steroid 4-dehydrogenase, 4-ANDROSTENE-3-17-DIONE, ... | | Authors: | Faucher, F, Cantin, L, Breton, R. | | Deposit date: | 2008-02-20 | | Release date: | 2008-12-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structures of Human Delta4-3-Ketosteroid 5beta-Reductase (AKR1D1) Reveal the Presence of an Alternative Binding Site Responsible for Substrate Inhibition (dagger) (,) (double dagger).
Biochemistry, 47, 2008
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2FVL
 | | Crystal structure of human 3-alpha hydroxysteroid/dihydrodiol dehydrogenase (AKR1C4) complexed with NADP+ | | Descriptor: | Aldo-keto reductase family 1, member C4, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Ugochukwu, E, Smee, C, Guo, K, Lukacik, P, Kavanagh, K, Debreczeni, J.E, von Delft, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-01-31 | | Release date: | 2006-02-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of human 3-alpha hydroxysteroid/dihydrodiol dehydrogenase (AKR1C4) complexed with NADP+
To be Published
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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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3CAV
 | | Crystal structure of 5beta-reductase (AKR1D1) in complex with NADP+ and 5beta-pregnan-3,20-dione | | Descriptor: | (5BETA)-PREGNANE-3,20-DIONE, 1,2-ETHANEDIOL, 3-oxo-5-beta-steroid 4-dehydrogenase, ... | | Authors: | Faucher, F, Cantin, L, Breton, R. | | Deposit date: | 2008-02-20 | | Release date: | 2008-07-29 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The crystal structure of human Delta4-3-ketosteroid 5beta-reductase defines the functional role of the residues of the catalytic tetrad in the steroid double bond reduction mechanism.
Biochemistry, 47, 2008
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4QR6
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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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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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3D3F
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2FZ8
 | | Human Aldose reductase complexed with inhibitor zopolrestat at 1.48 A(1 day soaking). | | Descriptor: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, aldose reductase | | Authors: | Steuber, H, Zentgraf, M, Gerlach, C, Sotriffer, C.A, Heine, A, Klebe, G. | | Deposit date: | 2006-02-09 | | Release date: | 2006-10-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Expect the Unexpected or Caveat for Drug Designers: Multiple Structure Determinations Using Aldose Reductase Crystals Treated under Varying Soaking and Co-crystallisation Conditions.
J.Mol.Biol., 363, 2006
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