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5M2F
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BU of 5m2f by Molmil
Crystal structure of human AKR1B10 complexed with NADP+ and the synthetic retinoid UVI2008
Descriptor: 1,2-ETHANEDIOL, 3-bromo-4-[(1E)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acid, Aldo-keto reductase family 1 member B10, ...
Authors:Ruiz, F.X, Cousido-Siah, A, Mitschler, A, Porte, S, Alvarez, S, Dominguez, M, Alvarez, R, de Lera, A.R, Pares, X, Farres, J, Podjarny, A.
Deposit date:2016-10-12
Release date:2017-02-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.503 Å)
Cite:Structural basis for the inhibition of AKR1B10 by the C3 brominated TTNPB derivative UVI2008.
Chem. Biol. Interact., 276, 2017
9FFD
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BU of 9ffd by Molmil
STRUCTURE OF ALDO-KETO REDUCTASE 1C3 (AKR1C3) IN COMPLEX WITH AN INHIBITOR MEDS765
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Aldo-keto reductase family 1 member C3, ...
Authors:Frydenvang, K, Hussain, S, Mirza, O.A.
Deposit date:2024-05-23
Release date:2024-08-21
Last modified:2024-08-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:AI Based Discovery of a New AKR1C3 Inhibitor for Anticancer Applications.
Acs Med.Chem.Lett., 15, 2024
2WZT
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BU of 2wzt by Molmil
Crystal structure of a mycobacterium aldo-keto reductase in its apo and liganded form
Descriptor: ALDO-KETO REDUCTASE
Authors:Scoble, J, McAlister, A.D, Fulton, Z, Troy, S, Byres, E, Vivian, J.P, Brammananth, R, Wilce, M.C.J, Le Nours, J, Zaker-Tabrizi, L, Coppel, R.L, Crellin, P.K, Rossjohn, J, Beddoe, T.
Deposit date:2009-12-03
Release date:2010-02-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure and Comparative Functional Analyses of a Mycobacterium Aldo-Keto Reductase.
J.Mol.Biol., 398, 2010
8RB6
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BU of 8rb6 by Molmil
Structure of Aldo-Keto Reductase 1C3 (AKR1C3) in complex with an inhibitor M689, with the 3-hydroxy-benzoisoxazole moiety. Resolution 2.0A
Descriptor: 1,2-ETHANEDIOL, 4-[[4-(3-hydroxyphenyl)phenyl]amino]-1,2-benzoxazol-3-ol, Aldo-keto reductase family 1 member C3, ...
Authors:Frydenvang, K, Mirza, O.A.
Deposit date:2023-12-03
Release date:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-guided optimization of 3-hydroxybenzoisoxazole derivatives as inhibitors of Aldo-keto reductase 1C3 (AKR1C3) to target prostate cancer.
Eur.J.Med.Chem., 268, 2024
6IJX
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BU of 6ijx by Molmil
Crystal Structure of AKR1C1 complexed with meclofenamic acid
Descriptor: 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zheng, X, Zhao, Y, Zhang, L, Zhang, H, Chen, Y, Hu, X.
Deposit date:2018-10-12
Release date:2019-10-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors.
Bioorg.Med.Chem., 26, 2018
3KRB
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BU of 3krb by Molmil
Structure of Aldose Reductase from Giardia Lamblia at 1.75A Resolution
Descriptor: 1,2-ETHANEDIOL, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-11-18
Release date:2009-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of aldose reductase from Giardia lamblia.
Acta Crystallogr.,Sect.F, 67, 2011
6XUM
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BU of 6xum by Molmil
Human Aldose Reductase Mutant L300/301A in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid)
Descriptor: Aldo-keto reductase family 1 member B1, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Hubert, L.-S, Ley, M, Heine, A, Klebe, G.
Deposit date:2020-01-20
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Human Aldose Reductase Mutant L300/301A in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid)
To Be Published
5T79
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BU of 5t79 by Molmil
X-Ray Crystal Structure of a Novel Aldo-keto Reductases for the Biocatalytic Conversion of 3-hydroxybutanal to 1,3-butanediol
Descriptor: Aldo-keto Reductase, OXIDOREDUCTASE, CHLORIDE ION, ...
Authors:Brunzelle, J.S, Wawrzak, Z, Evdokimova, E, Kudritska, M, Savchenko, A, Yakunin, A.F, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-09-02
Release date:2017-02-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.86 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
4LB4
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BU of 4lb4 by Molmil
Crystal structure of human AR complexed with NADP+ and {2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
Authors:Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A.
Deposit date:2013-06-20
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.8 Å)
Cite:Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
4LBS
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BU of 4lbs by Molmil
Crystal structure of human AR complexed with NADP+ and {2-[(4-bromo-2,6-difluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-bromo-2,6-difluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
Authors:Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A.
Deposit date:2013-06-21
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.76 Å)
Cite:Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
1QRQ
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BU of 1qrq by Molmil
STRUCTURE OF A VOLTAGE-DEPENDENT K+ CHANNEL BETA SUBUNIT
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTEIN (KV BETA2 PROTEIN)
Authors:Gulbis, J.M, Mann, S, MacKinnon, R.
Deposit date:1999-06-15
Release date:1999-10-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of a voltage-dependent K+ channel beta subunit.
Cell(Cambridge,Mass.), 97, 1999
1QWK
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BU of 1qwk by Molmil
Structural genomics of Caenorhabditis Elegans: Hypothetical 35.2 kDa protein (aldose reductase family member)
Descriptor: aldo-keto reductase family 1 member C1
Authors:Chen, L, Zhou, X.E, Meehan, E.J, Symersky, J, Lu, S, Li, S, Luo, M, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2003-09-02
Release date:2003-09-16
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural genomics of Caenorhabditis Elegans: Hypothetical 35.2 kDa protein (aldose reductase family member)
To be published
8CNP
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BU of 8cnp by Molmil
Human Aldose Reductase Mutant L300G in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid)
Descriptor: 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid, Aldo-keto reductase family 1 member B1, CITRIC ACID, ...
Authors:Klee, L.-S, Heine, A, Klebe, G.
Deposit date:2023-02-24
Release date:2024-03-06
Method:X-RAY DIFFRACTION (0.94 Å)
Cite:Human Aldose Reductase Mutant L300G in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid)
To Be Published
8CNF
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BU of 8cnf by Molmil
Human Aldose Reductase Mutant L300G in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid)
Descriptor: Aldo-keto reductase family 1 member B1, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Klee, L.-S, Heine, A, Klebe, G.
Deposit date:2023-02-22
Release date:2024-03-06
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Human Aldose Reductase Mutant L300G in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid)
To Be Published
6Y03
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BU of 6y03 by Molmil
Structure of Human Aldose Reductase Mutant L300/301A with a Citrate Molecule Bound in the Anion Binding Pocket
Descriptor: Aldo-keto reductase family 1 member B1, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Hubert, L.-S, Ley, M, Heine, A, Klebe, G.
Deposit date:2020-02-06
Release date:2021-02-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structure of Human Aldose Reductase Mutant L300/301A with a Citrate Molecule Bound in the Anion Binding Pocket
To Be Published
6Y1P
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BU of 6y1p by Molmil
Human Aldose Reductase Mutant L300/301A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid)
Descriptor: 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid, Aldo-keto reductase family 1 member B1, CITRIC ACID, ...
Authors:Hubert, L.-S, Ley, M, Heine, A, Klebe, G.
Deposit date:2020-02-13
Release date:2021-02-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.94 Å)
Cite:Human Aldose Reductase Mutant L300/301A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid)
To Be Published
7LH6
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BU of 7lh6 by Molmil
The structure of Bacteroides plebeius L-galactose dehydrogenase
Descriptor: L-galactose dehydrogenase
Authors:Robb, C.S, Pluvinage, B, Vickers, C, Boraston, A.B.
Deposit date:2021-01-21
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Metabolism of a hybrid algal galactan by members of the human gut microbiome.
Nat.Chem.Biol., 18, 2022
7MBF
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BU of 7mbf by Molmil
codeinone reductase isoform 1.3 Apo form
Descriptor: NADPH-dependent codeinone reductase 1-3
Authors:Carr, S.C, Ng, K.K.S.
Deposit date:2021-03-31
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural studies of codeinone reductase reveal novel insights into aldo-keto reductase function in benzylisoquinoline alkaloid biosynthesis.
J.Biol.Chem., 297, 2021
5UXF
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BU of 5uxf by Molmil
Crystal Structure of mouse RECON (AKR1C13) in complex with Cyclic di-AMP
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, Dihydrodiol dehydrogenase
Authors:Luo, S, Tong, L.
Deposit date:2017-02-22
Release date:2017-04-19
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:Sensing of Bacterial Cyclic Dinucleotides by the Oxidoreductase RECON Promotes NF-kappa B Activation and Shapes a Proinflammatory Antibacterial State.
Immunity, 46, 2017
5DAN
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BU of 5dan by Molmil
Crystal structure of a novel aldo keto reductase Tm1743 from Thermotoga maritima in complex with NADP+
Descriptor: 2,5-diketo-D-gluconic acid reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Xu, X.
Deposit date:2015-08-20
Release date:2016-09-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a novel aldo keto reductase Tm1743 from Thermotoga maritima in complex with NADP+
To Be Published
5C7H
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BU of 5c7h by Molmil
Crystal structure of aldo-keto reductase from Sinorhizobium meliloti 1021 in complex with NADPH
Descriptor: Aldo-keto reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Gasiorowska, O.A, Shabalin, I.G, Handing, K.B, Seidel, R, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2015-06-24
Release date:2015-07-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of aldo-keto reductase from Sinorhizobium meliloti 1021 in complex with NADPH
to be published
4WDT
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BU of 4wdt by Molmil
17beta-HSD5 in complex with 2-nitro-5-(phenylsulfonyl)phenol
Descriptor: 2-nitro-5-(phenylsulfonyl)phenol, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Amano, Y, Yamaguchi, T.
Deposit date:2014-09-09
Release date:2015-04-15
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structures of complexes of type 5 17 beta-hydroxysteroid dehydrogenase with structurally diverse inhibitors: insights into the conformational changes upon inhibitor binding.
Acta Crystallogr.,Sect.D, 71, 2015
4WDU
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BU of 4wdu by Molmil
17beta-HSD5 in complex with 4-chloro-N-(4-chlorobenzyl)-5-nitro-1H-pyrazole-3-carboxamide
Descriptor: 4-chloro-N-(4-chlorobenzyl)-5-nitro-1H-pyrazole-3-carboxamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Amano, Y, Yamaguchi, T.
Deposit date:2014-09-09
Release date:2015-04-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of complexes of type 5 17 beta-hydroxysteroid dehydrogenase with structurally diverse inhibitors: insights into the conformational changes upon inhibitor binding.
Acta Crystallogr.,Sect.D, 71, 2015
4WDX
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BU of 4wdx by Molmil
17beta-HSD5 in complex with [4-(2-hydroxyethyl)piperidin-1-yl](5-methyl-1H-indol-2-yl)methanone
Descriptor: Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [4-(2-hydroxyethyl)piperidin-1-yl](5-methyl-1H-indol-2-yl)methanone
Authors:Amano, Y, Yamaguchi, T.
Deposit date:2014-09-09
Release date:2015-04-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structures of complexes of type 5 17 beta-hydroxysteroid dehydrogenase with structurally diverse inhibitors: insights into the conformational changes upon inhibitor binding.
Acta Crystallogr.,Sect.D, 71, 2015
6CIA
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BU of 6cia by Molmil
Crystal structure of aldo-keto reductase from Klebsiella pneumoniae in complex with NADPH.
Descriptor: Aldo/keto reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Lipowska, J, Leung, E.S, Shabalin, I.G, Grabowski, M, Almo, S.C, Satchell, K.J, Joachimiak, A, Lewinski, K, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-02-23
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of of aldo-keto reductase from Klebsiella pneumoniae in complex with NADPH.
to be published

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