5ZCI
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CRYSTAL STRUCTURE OF APO FORM OF XYLOSE REDUCTASE FROM DEBARYOMYCES NEPALENSIS
Descriptor:Aldose reductase
Authors:Manoj, N.
Deposit date:2018-02-17
Release date:2018-11-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of yeast xylose reductase in complex with a novel NADP-DTT adduct provides insights into substrate recognition and catalysis.
FEBS J., 2018
5ZCM
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CRYSTAL STRUCTURE OF XYLOSE REDUCTASE FROM DEBARYOMYCES NEPALENSIS IN COMPLEX WITH NADP-DTT ADDUCT
Descriptor:Aldose reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE
Authors:Manoj, N.
Deposit date:2018-02-19
Release date:2018-11-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of yeast xylose reductase in complex with a novel NADP-DTT adduct provides insights into substrate recognition and catalysis.
FEBS J., 2018
5Y7N
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CRYSTAL STRUCTURE OF AKR1B10 IN COMPLEX WITH NADP+ AND ANDROST-4-ENE-3-BETA-6-ALPHA-DIOL
Descriptor:Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, (3S,6S,8S,9S,10R,13S,14R)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol
Authors:Hong, Z., Liping, Z., Cuiyun, L., Wei, Z.
Deposit date:2017-08-17
Release date:2018-08-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural determinants for the inhibition of AKR1B10 by steroids
To Be Published
6EBK
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THE VOLTAGE-ACTIVATED KV1.2-2.1 PADDLE CHIMERA CHANNEL IN LIPID NANODISCS
Descriptor:Voltage-gated potassium channel subunit beta-2, Potassium voltage-gated channel subfamily A member 2,Potassium voltage-gated channel subfamily B member 2 chimera, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Matthies, D., Bae, C., Fox, T., Bartesaghi, A., Subramaniam, S., Swartz, K.J.
Deposit date:2018-08-06
Release date:2018-08-22
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Single-particle cryo-EM structure of a voltage-activated potassium channel in lipid nanodiscs.
Elife, 7, 2018
6EBL
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THE VOLTAGE-ACTIVATED KV1.2-2.1 PADDLE CHIMERA CHANNEL IN LIPID NANODISCS, CYTOSOLIC DOMAIN
Descriptor:Voltage-gated potassium channel subunit beta-2, Potassium voltage-gated channel subfamily A member 2,Potassium voltage-gated channel subfamily B member 2 chimera, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Matthies, D., Bae, C., Fox, T., Bartesaghi, A., Subramaniam, S., Swartz, K.J.
Deposit date:2018-08-06
Release date:2018-08-22
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Single-particle cryo-EM structure of a voltage-activated potassium channel in lipid nanodiscs.
Elife, 7, 2018
5OU0
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CRYSTAL STRUCTURE OF HUMAN AKR1B1 COMPLEXED WITH NADP+ AND COMPOUND 37
Descriptor:Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 2-[5-(4-chlorophenyl)-3-methyl-1-oxidanylidene-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid
Authors:Cousido-Siah, A., Ruiz, F.X., Mitschler, A., Metwally, K., Podjarny, A.
Deposit date:2017-08-23
Release date:2018-05-09
Method:X-RAY DIFFRACTION (0.94 Å)
Cite:Design, synthesis, structure-activity relationships and X-ray structural studies of novel 1-oxopyrimido[4,5-c]quinoline-2-acetic acid derivatives as selective and potent inhibitors of human aldose reductase.
Eur J Med Chem, 152, 2018
5OUJ
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CRYSTAL STRUCTURE OF HUMAN AKR1B1 COMPLEXED WITH NADP+ AND COMPOUND 39
Descriptor:Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 2-[(1~{R})-5-(4-chlorophenyl)-9-fluoranyl-3-methyl-1-oxidanyl-1~{H}-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid
Authors:Cousido-Siah, A., Ruiz, F.X., Mitschler, A., Metwally, K., Podjarny, A.
Deposit date:2017-08-24
Release date:2018-05-09
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Design, synthesis, structure-activity relationships and X-ray structural studies of novel 1-oxopyrimido[4,5-c]quinoline-2-acetic acid derivatives as selective and potent inhibitors of human aldose reductase.
Eur J Med Chem, 152, 2018
5OUK
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CRYSTAL STRUCTURE OF HUMAN AKR1B1 COMPLEXED WITH NADP+ AND COMPOUND 41
Descriptor:Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 2-[5-[4-(dioxidanyl)phenyl]-9-fluoranyl-3-methyl-1-oxidanylidene-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid
Authors:Cousido-Siah, A., Ruiz, F.X., Mitschler, A., Metwally, K., Podjarny, A.
Deposit date:2017-08-24
Release date:2018-05-09
Method:X-RAY DIFFRACTION (0.959 Å)
Cite:Design, synthesis, structure-activity relationships and X-ray structural studies of novel 1-oxopyrimido[4,5-c]quinoline-2-acetic acid derivatives as selective and potent inhibitors of human aldose reductase.
Eur J Med Chem, 152, 2018
6F2U
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POTENT AND SELECTIVE ALDO-KETO REDUCTASE 1C3 (AKR1C3) INHIBITORS BASED ON THE BENZOISOXAZOLE MOIETY: APPLICATION OF A BIOISOSTERIC SCAFFOLD HOPPING APPROACH TO FLUFENAMIC ACID
Descriptor:Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 3-[(4-methoxyphenyl)methyl]-5-oxidanyl-~{N}-[3-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxamide
Authors:Goyal, P., Wahlgren, W.Y., Friemann, R.
Deposit date:2017-11-27
Release date:2018-04-04
Last modified:2018-04-11
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Potent and selective aldo-keto reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: application of a bioisosteric scaffold hopping approach to flufenamic acid.
Eur J Med Chem, 150, 2018
6F78
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POTENT AND SELECTIVE ALDO-KETO REDUCTASE 1C3 (AKR1C3) INHIBITORS BASED ON THE BENZOISOXAZOLE MOIETY: APPLICATION OF A BIOISOSTERIC SCAFFOLD HOPPING APPROACH TO FLUFENAMIC ACID
Descriptor:Aldo-keto reductase family 1 member C3, 4-[[3,5-bis(trifluoromethyl)phenyl]amino]-1,2-benzoxazol-3-one, CHLORIDE ION, ...
Authors:Goyal, P., Wahlgren, W.Y., Friemann, R.
Deposit date:2017-12-07
Release date:2018-04-04
Last modified:2018-04-11
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Potent and selective aldo-keto reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: application of a bioisosteric scaffold hopping approach to flufenamic acid.
Eur J Med Chem, 150, 2018
6CIA
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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
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
5WIE
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CRYSTAL STRUCTURE OF A KV1.2-2.1 CHIMERA K+ CHANNEL V406W MUTANT IN AN INACTIVATED STATE
Descriptor:Voltage-gated potassium channel subunit beta-2, Potassium voltage-gated channel subfamily A member 2,Potassium voltage-gated channel subfamily A member 2, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Pau, V., Zhou, Y., Ramu, Y., Xu, Y., Lu, Z.
Deposit date:2017-07-19
Release date:2017-08-30
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structure of an inactivated mutant mammalian voltage-gated K(+) channel.
Nat. Struct. Mol. Biol., 24, 2017
5JGW
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CRYSTAL STRUCTURE OF MAIZE AKR4C13 IN COMPLEX WITH NADP AND ACETATE
Descriptor:Aldose reductase, AKR4C13, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
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
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of maize AKR4C13 in complex with NADP and acetate
To Be Published
5JGY
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CRYSTAL STRUCTURE OF MAIZE AKR4C13 IN P21 SPACE GROUP
Descriptor:Aldose reductase, AKR4C13, 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), ...
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
5JM5
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CRYSTAL STRUCTURE OF AKR1C3 COMPLEXED WITH A PRO-DRUG
Descriptor:Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, (1R)-1-{3-[3-(dimethylcarbamoyl)phenoxy]-4-nitrophenyl}ethyl bis[(aziridin-1-yl)]phosphinate, ...
Authors:Wang, C., Wang, C., Li, Q., Wang, Z., Xie, W.
Deposit date:2016-04-28
Release date:2017-05-03
Method:X-RAY DIFFRACTION (1.994 Å)
Cite:An AKR1C3 based Pro-drug TH3424 has potent anti-tumor activity against liver cancer
To Be Published
5UXF
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CRYSTAL STRUCTURE OF MOUSE RECON (AKR1C13) IN COMPLEX WITH CYCLIC DI-AMP
Descriptor:Dihydrodiol dehydrogenase, (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
Authors:Luo, S., Tong, L.
Deposit date:2017-02-22
Release date:2017-04-19
Last modified:2017-11-22
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
5HNT
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CRYSTAL STRUCTURE OF AKR1C3 COMPLEXED WITH CAPE
Descriptor:Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Authors:Li, C., Zhao, Y., Zhang, H., Hu, X.
Deposit date:2016-01-18
Release date:2017-03-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of AKR1C3 complexed with octyl gallate
To Be Published
5M2F
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CRYSTAL STRUCTURE OF HUMAN AKR1B10 COMPLEXED WITH NADP+ AND THE SYNTHETIC RETINOID UVI2008
Descriptor:Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 3-bromo-4-[(1E)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acid, ...
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:2017-11-22
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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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, SULFATE 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
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
5HNU
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CRYSTAL STRUCTURE OF AKR1C3 COMPLEXED WITH OCTYL GALLATE
Descriptor:Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, octyl 3,4,5-trihydroxybenzoate
Authors:Li, C., Zhao, Y., Zhang, H., Hu, X.
Deposit date:2016-01-18
Release date:2017-01-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of AKR1C3 complexed with octyl gallte
To Be Published
5KET
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STRUCTURE OF THE ALDO-KETO REDUCTASE FROM COPTOTERMES GESTROI
Descriptor:Aldo-keto reductase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Liberato, M.L., Campos, B.M., Tramontina, R., Squina, F.M.
Deposit date:2016-06-10
Release date:2017-01-18
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:The Coptotermes gestroi aldo-keto reductase: a multipurpose enzyme for biorefinery applications.
Biotechnol Biofuels, 10, 2017
5JH1
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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
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
5JH2
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CRYSTAL STRUCTURE OF THE HOLO FORM OF AKR4C7 FROM MAIZE
Descriptor:Aldose reductase, AKR4C7, ADENOSINE-2'-5'-DIPHOSPHATE, ...
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
Method:X-RAY DIFFRACTION (1.72 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
5LIY
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CRYSTAL STRUCTURE OF HUMAN AKR1B10 COMPLEXED WITH NADP+ AND THE INHIBITOR MK204
Descriptor:Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-chloro-2-[(pentabromobenzyl)carbamoyl]phenoxy}acetic acid, ...
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:2016-10-12
Last modified:2016-11-02
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors.
Acs Chem.Biol., 11, 2016
5HA7
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HUMAN ALDOSE REDUCTASE IN COMPLEX WITH NADP+ AND WY14643 IN SPACE GROUP P212121
Descriptor:Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID, ...
Authors:Sawaya, M.R., Cascio, D., Balendiran, G.K.
Deposit date:2015-12-30
Release date:2016-09-28
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Characterization of WY 14,643 and its Complex with Aldose Reductase.
Sci Rep, 6, 2016
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