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6KY6
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BU of 6ky6 by Molmil
Crystal structure of a thermostable aldo-keto reductase Tm1743 in complexs with inhibitor epalrestat in space group P3221cc
Descriptor: 2,5-diketo-D-gluconic acid reductase, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Zhang, C.Y, Min, Z.Z, Liu, X.M, Wang, C, Tang, W.R.
Deposit date:2019-09-16
Release date:2019-10-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Tolrestat acts atypically as a competitive inhibitor of the thermostable aldo-keto reductase Tm1743 from Thermotoga maritima.
Febs Lett., 594, 2020
6M7K
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BU of 6m7k by Molmil
Structure of mouse RECON (AKR1C13) in complex with cyclic AMP-AMP-GMP (cAAG)
Descriptor: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C13, cyclic AMP-AMP-GMP
Authors:Eaglesham, J.B, Whiteley, A.T, de Oliveira Mann, C.C, Morehouse, B.R, Nieminen, E.A, King, D.S, Lee, A.S.Y, Mekalanos, J.J, Kranzusch, P.J.
Deposit date:2018-08-20
Release date:2019-02-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Bacterial cGAS-like enzymes synthesize diverse nucleotide signals.
Nature, 567, 2019
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
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
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
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
8B66
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BU of 8b66 by Molmil
Human Aldose Reductase Mutant A299G 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, Heine, A, Klebe, G.
Deposit date:2022-09-26
Release date:2023-10-11
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Human Aldose Reductase Mutant A299G in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid)
To Be Published
5JGY
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BU of 5jgy by Molmil
Crystal structure of maize AKR4C13 in P21 space group
Descriptor: 1,2-ETHANEDIOL, 4-{[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]oxy}butanoic acid (non-preferred name), Aldose reductase, ...
Authors:Santos, M.L, Giuseppe, P.O, Kiyota, E, Sousa, S.M, Schmelz, E.A, Yunes, J.A, Koch, K.E, Murakami, M.T, Aparicio, R.
Deposit date:2016-04-20
Release date:2017-05-03
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of maize AKR4C13 in P21 space group
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
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
8BJL
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BU of 8bjl by Molmil
Human Aldose Reductase in Complex with a Ligand with a Fluoro-Indol-Acetic-Acid Structure (Schl44172)
Descriptor: 2-(6-fluoranylindol-1-yl)ethanoic acid, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Hubert, L.-S, Heine, A, Klebe, G.
Deposit date:2022-11-04
Release date:2023-11-15
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Human Aldose Reductase in Complex with a Ligand with a Fluoro-Indol-Acetic-Acid Structure (Schl44172)
To Be Published
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
4RPQ
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BU of 4rpq by Molmil
Human Aldose Reductase complexed with a ligand with an IDD structure at 1.20 A (1)
Descriptor: ({3-[(3-nitrobenzyl)carbamoyl]biphenyl-4-yl}oxy)acetic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Rechlin, C, Heine, A, Klebe, G.
Deposit date:2014-10-31
Release date:2015-11-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Aldose Reductase: IDD ligands under investigation
To be Published
5JH1
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BU of 5jh1 by Molmil
Crystal structure of the apo form of AKR4C7 from maize
Descriptor: Aldose reductase, AKR4C7
Authors:Giuseppe, P.O, Santos, M.L, Sousa, S.M, Koch, K.E, Yunes, J.A, Aparicio, R, Murakami, M.T.
Deposit date:2016-04-20
Release date:2016-11-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:A comparative structural analysis reveals distinctive features of co-factor binding and substrate specificity in plant aldo-keto reductases.
Biochem.Biophys.Res.Commun., 474, 2016
8HNQ
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BU of 8hnq by Molmil
The structure of a alcohol dehydrogenase AKR13B2 with NADP
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Chen, M, Yang, H, Lu, F.
Deposit date:2022-12-08
Release date:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structure of AKR13B2
To Be Published
8HW0
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BU of 8hw0 by Molmil
the structure of AKR6D1
Descriptor: GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH-dependent aldo/keto reductase AKR6D1
Authors:Chen, M, Yang, H.
Deposit date:2022-12-28
Release date:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:structure of AKR6D1
To Be Published
2R24
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BU of 2r24 by Molmil
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
2R9R
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BU of 2r9r by Molmil
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
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
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
6CI1
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BU of 6ci1 by Molmil
The Structure of Full-Length Kv Beta 2.1 Determined by Cryogenic Electron Microscopy
Descriptor: Voltage-gated potassium channel subunit beta-2
Authors:Stagg, S.M, Spear, J.M, Mendez, J.H.
Deposit date:2018-02-23
Release date:2019-02-27
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:The Structure of Full-Length Kv Beta 2.1 Determined by Cryogenic Electron Microscopy
To Be Published
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
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:2022-12-14
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
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

221051

数据于2024-06-12公开中

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