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4WEV
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BU of 4wev by Molmil
Crystal structure of human AKR1B10 complexed with NADP+ and sulindac
分子名称: Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [(1Z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1H-inden-3-yl]acetic acid
著者Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Crespo, I, Porte, S, Pares, X, Farres, J, Podjarny, A.
登録日2014-09-11
公開日2015-01-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.453 Å)
主引用文献Structural analysis of sulindac as an inhibitor of aldose reductase and AKR1B10.
Chem.Biol.Interact., 234, 2015
7O0I
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BU of 7o0i by Molmil
Vibrio vulnificus stressosome
分子名称: Anti-anti-sigma factor, RsbS, negative regulator of sigma-B
著者Kaltwasser, S, Heinz, V, Madej, M.G, Pane-Farre, J, Ziegler, C.
登録日2021-03-26
公開日2022-04-13
最終更新日2023-11-01
実験手法ELECTRON MICROSCOPY (8.3 Å)
主引用文献The Vibrio vulnificus stressosome is an oxygen-sensor involved in regulating iron metabolism
Commun Biol, 2022
7QK8
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BU of 7qk8 by Molmil
Crystal structure of the ALDH1A3-NAD+ complex
分子名称: Aldehyde dehydrogenase family 1 member A3, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Castellvi, A, Farres, J.
登録日2021-12-17
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.893 Å)
主引用文献Structural and biochemical evidence that ATP inhibits the cancer biomarker human aldehyde dehydrogenase 1A3.
Commun Biol, 5, 2022
7QK9
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BU of 7qk9 by Molmil
Crystal structure of the ALDH1A3-ATP complex
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Aldehyde dehydrogenase family 1 member A3, DI(HYDROXYETHYL)ETHER, ...
著者Castellvi, A, Farres, J.
登録日2021-12-17
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.782 Å)
主引用文献Structural and biochemical evidence that ATP inhibits the cancer biomarker human aldehyde dehydrogenase 1A3.
Commun Biol, 5, 2022
7QK7
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BU of 7qk7 by Molmil
Crystal structure of the APO form of ALDH1A3
分子名称: Aldehyde dehydrogenase family 1 member A3, DI(HYDROXYETHYL)ETHER, GLYCEROL
著者Castellvi, A, Farres, J.
登録日2021-12-17
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.289 Å)
主引用文献Structural and biochemical evidence that ATP inhibits the cancer biomarker human aldehyde dehydrogenase 1A3.
Commun Biol, 5, 2022
5M2F
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BU of 5m2f by Molmil
Crystal structure of human AKR1B10 complexed with NADP+ and the synthetic retinoid UVI2008
分子名称: 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, ...
著者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.
登録日2016-10-12
公開日2017-02-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.503 Å)
主引用文献Structural basis for the inhibition of AKR1B10 by the C3 brominated TTNPB derivative UVI2008.
Chem. Biol. Interact., 276, 2017
4XZH
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BU of 4xzh by Molmil
Crystal structure of human Aldose Reductase complexed with NADP+ and JF0048
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [3-(4-chloro-3-nitrobenzyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]acetic acid
著者Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Dominguez, M, de Lera, A.R, Farres, J, Pares, X, Podjarny, A.
登録日2015-02-04
公開日2015-11-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10.
Chemmedchem, 10, 2015
4XZI
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Crystal structure of human Aldose Reductase complexed with NADP+ and JF0049
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [2,4-dioxo-3-(2,3,4,5-tetrabromo-6-methoxybenzyl)-3,4-dihydropyrimidin-1(2H)-yl]acetic acid
著者Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Dominguez, M, de Lera, A.R, Farres, J, Pares, X, Podjarny, A.
登録日2015-02-04
公開日2015-11-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10.
Chemmedchem, 10, 2015
4XZL
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BU of 4xzl by Molmil
Crystal structure of human AKR1B10 complexed with NADP+ and JF0049
分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Dominguez, M, de Lera, A.R, Farres, J, Pares, X, Podjarny, A.
登録日2015-02-04
公開日2015-11-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10.
Chemmedchem, 10, 2015
2OBY
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BU of 2oby by Molmil
Crystal structure of Human P53 inducible oxidoreductase (TP53I3,PIG3)
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative quinone oxidoreductase
著者Porte, S, Valencia, E, Farres, J, Fita, I, Pike, A.C.W, Shafqat, N, Debreczeni, J, Johansson, C, Haroniti, A, Gileadi, O, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, von Delft, F, Oppermann, U, Pares, X.
登録日2006-12-20
公開日2007-01-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of human P53 inducible oxidoreductase (TP53I3, PIG3)
To be Published
1ZUA
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BU of 1zua by Molmil
Crystal Structure Of AKR1B10 Complexed With NADP+ And Tolrestat
分子名称: Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TOLRESTAT
著者Gallego, O, Ruiz, F.X, Ardevol, A, Dominguez, M, Alvarez, R, de Lera, A.R, Rovira, C, Farres, J, Fita, I, Pares, X.
登録日2005-05-30
公開日2006-11-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structural basis for the high all-trans-retinaldehyde reductase activity of the tumor marker AKR1B10.
Proc.Natl.Acad.Sci.USA, 104, 2007
2J6Z
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BU of 2j6z by Molmil
Structural and functional characterisation of partner-switching regulating the environmental stress response in B. subtilis
分子名称: PHOSPHOSERINE PHOSPHATASE RSBU
著者Hardwick, S.W, Pane-Farre, J, Delumeau, O, Marles-Wright, J, Murray, J.W, Hecker, M, Lewis, R.J.
登録日2006-10-05
公開日2007-02-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and functional characterization of partner switching regulating the environmental stress response in Bacillus subtilis.
J. Biol. Chem., 282, 2007
2J6Y
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BU of 2j6y by Molmil
Structural and Functional Characterisation of partner switching regulating the environmental stress response in Bacillus subtilis
分子名称: PHOSPHOSERINE PHOSPHATASE RSBU
著者Hardwick, S.W, Pane-Farre, J, Delumeau, O, Marles-Wright, J, Murray, J.W, Hecker, M, Lewis, R.J.
登録日2006-10-05
公開日2007-02-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and functional characterization of partner switching regulating the environmental stress response in Bacillus subtilis.
J. Biol. Chem., 282, 2007
2J70
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BU of 2j70 by Molmil
Structural and functional characterisation of partner-switching regulating the environmental stress response in B. subtilis
分子名称: PHOSPHOSERINE PHOSPHATASE RSBU
著者Hardwick, S.W, Pane-Farre, J, Delumeau, O, Marles-Wright, J, Murray, J.W, Hecker, M, Lewis, R.J.
登録日2006-10-05
公開日2007-02-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and functional characterization of partner switching regulating the environmental stress response in Bacillus subtilis.
J. Biol. Chem., 282, 2007
1P0F
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BU of 1p0f by Molmil
Crystal Structure of the Binary Complex: NADP(H)-Dependent Vertebrate Alcohol Dehydrogenase (ADH8) with the cofactor NADP
分子名称: GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent ALCOHOL DEHYDROGENASE, ...
著者Rosell, A, Valencia, E, Pares, X, Fita, I, Farres, J, Ochoa, W.F.
登録日2003-04-10
公開日2003-04-22
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of the vertebrate NADP(H)-dependent alcohol dehydrogenase (ADH8)
J.Mol.Biol., 330, 2003
1P0C
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BU of 1p0c by Molmil
Crystal Structure of the NADP(H)-Dependent Vertebrate Alcohol Dehydrogenase (ADH8)
分子名称: GLYCEROL, NADP-dependent ALCOHOL DEHYDROGENASE, PHOSPHATE ION, ...
著者Rosell, A, Valencia, E, Pares, X, Fita, I, Farres, J, Ochoa, W.F.
登録日2003-04-10
公開日2003-04-22
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of the Vertebrate NADP(H)-dependent Alcohol Dehydrogenase (ADH8)
J.Mol.Biol., 330, 2003
4IGS
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BU of 4igs by Molmil
Crystal structure of human Aldose Reductase complexed with NADP+ and JF0064
分子名称: 2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Porte, S, de Lera, A.R, Martin, M.J, de la Fuente, J.A, Klebe, G, Farres, J, Pares, X, Podjarny, A.
登録日2012-12-18
公開日2014-03-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Identification of a novel polyfluorinated compound as a lead to inhibit the human enzymes aldose reductase and AKR1B10: structure determination of both ternary complexes and implications for drug design.
Acta Crystallogr.,Sect.D, 70, 2014
4ICC
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BU of 4icc by Molmil
Crystal structure of human AKR1B10 complexed with NADP+ and JF0064
分子名称: 2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Porte, S, de Lera, A.R, Martin, M.J, de la Fuente, J.A, Klebe, G, Farres, J, Pares, X, Podjarny, A.
登録日2012-12-10
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.752 Å)
主引用文献Identification of a novel polyfluorinated compound as a lead to inhibit the human enzymes aldose reductase and AKR1B10: structure determination of both ternary complexes and implications for drug design.
Acta Crystallogr.,Sect.D, 70, 2014
7ZEJ
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BU of 7zej by Molmil
Crystal structure of the human MGC45594 gene product in complex with celecoxib.
分子名称: 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Prostaglandin reductase 3
著者Shafqat, N, Yue, W.W, Koekemoer, L, Niesen, F, Ugochukwu, E, Vollmar, M, Weigelt, J, Krojer, T, Pike, A, Chaikaud, A, Von Delft, F, Arrowsmith, C, Bountra, C, Edwards, A, Opperman, U, Structural Genomics Consortium (SGC)
登録日2022-03-31
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Human prostaglandin/alkenal reductases: substrate specificities, inhibitor profiles, structural insights and subcellular localization suggest protective roles in inflammatory and oxidative stress conditions.
To Be Published
7B0U
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BU of 7b0u by Molmil
Stressosome complex from Listeria innocua
分子名称: RsbR protein, RsbS protein
著者Miksys, A, Fu, L, Madej, M.G, Ziegler, C.
登録日2020-11-22
公開日2021-12-01
最終更新日2022-07-20
実験手法ELECTRON MICROSCOPY (3.86 Å)
主引用文献Molecular insights into intra-complex signal transmission during stressosome activation.
Commun Biol, 5, 2022
6Z0W
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BU of 6z0w by Molmil
Crystal structure of the cytoplasmic domain of FlhB from Shewanella putrefaciens
分子名称: Flagellar biosynthetic protein FlhB
著者Altegoer, F, Bange, G.
登録日2020-05-11
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Proline-Rich Element in the Type III Secretion Protein FlhB Contributes to Flagellar Biogenesis in the Beta- and Gamma-Proteobacteria.
Front Microbiol, 11, 2020
5LIK
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BU of 5lik by Molmil
Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor MK181
分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Fanfrlik, J, Kamlar, M, Vesely, J, Hobza, P, Podjarny, A.
登録日2016-07-14
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors.
Acs Chem.Biol., 11, 2016
5LIY
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Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor MK204
分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Fanfrlik, J, Kamlar, M, Vesely, J, Hobza, P, Podjarny, A.
登録日2016-07-15
公開日2016-10-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors.
Acs Chem.Biol., 11, 2016
5LIX
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BU of 5lix by Molmil
Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor MK184
分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Fanfrlik, J, Kamlar, M, Vesely, J, Hobza, P, Podjarny, A.
登録日2016-07-15
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors.
Acs Chem.Biol., 11, 2016
5LIU
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BU of 5liu by Molmil
Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor IDD388
分子名称: (2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, ...
著者Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Fanfrlik, J, Kamlar, M, Vesely, J, Hobza, P, Podjarny, A.
登録日2016-07-15
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors.
Acs Chem.Biol., 11, 2016

 

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