5NRF
| Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 7i | 分子名称: | 1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-chlorophenyl)ethyl]-~{N}-(phenylmethyl)piperidin-4-amine, Chitotriosidase-1, GLYCEROL | 著者 | Mazur, M, Olczak, J, Olejniczak, S, Koralewski, R, Czestkowski, W, Jedrzejczak, A, Golab, J, Dzwonek, K, Dymek, B, Sklepkiewicz, P, Zagozdzon, A, Noonan, T, Mahboubi, K, Conway, B, Sheeler, R, Beckett, P, Hungerford, W.M, Podjarny, A, Mitschler, A, Cousido-Siah, A, Fadel, F, Golebiowski, A. | 登録日 | 2017-04-22 | 公開日 | 2018-03-28 | 実験手法 | X-RAY DIFFRACTION (1.447 Å) | 主引用文献 | Targeting Acidic Mammalian chitinase Is Effective in Animal Model of Asthma. J. Med. Chem., 61, 2018
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4NY6
| Neutron structure of leucine and valine methyl protonated type III antifreeze | 分子名称: | Type-3 ice-structuring protein HPLC 12 | 著者 | Fisher, S.J, Blakeley, M.P, Howard, E.I, Petite-Haertlein, I, Haertlein, M, Mitschler, A, Cousido-Siah, A, Salvaya, A.G, Popov, A, Muller-Dieckmann, C, Petrova, T, Podjarny, A.D. | 登録日 | 2013-12-10 | 公開日 | 2014-12-24 | 最終更新日 | 2024-02-28 | 実験手法 | NEUTRON DIFFRACTION (1.05 Å), X-RAY DIFFRACTION | 主引用文献 | Perdeuteration: improved visualization of solvent structure in neutron macromolecular crystallography. Acta Crystallogr.,Sect.D, 70, 2014
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4QXI
| Crystal structure of human AR complexed with NADP+ and AK198 | 分子名称: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-amino-2-fluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | 著者 | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Hobza, P, Podjarny, A.D. | 登録日 | 2014-07-21 | 公開日 | 2015-07-22 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (0.867 Å) | 主引用文献 | The Effect of Halogen-to-Hydrogen Bond Substitution on Human Aldose Reductase Inhibition. Acs Chem.Biol., 10, 2015
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5CE5
| Probing the roles of two tryptophans surrounding the unique zinc coordination site in lipase family I.5 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, CALCIUM ION, ... | 著者 | Sezerman, O.U, Podjarny, A.D, Emel, T, Cousido-Siah, A, Mitschler, A. | 登録日 | 2015-07-06 | 公開日 | 2015-12-02 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Probing the roles of two tryptophans surrounding the unique zinc coordination site in lipase family I.5. Proteins, 84, 2016
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5EUC
| The role of the C-terminal region on the oligomeric state and enzymatic activity of Trypanosoma cruzi hypoxanthine phosphoribosyl transferase | 分子名称: | Hypoxanthine-guanine phosphoribosyltransferase | 著者 | Valsecchi, W.M, Cousido-Siah, A, Mitschler, A, Podjarny, A, Delfino, J.M, Santos, J. | 登録日 | 2015-11-18 | 公開日 | 2016-03-30 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | The role of the C-terminal region on the oligomeric state and enzymatic activity of Trypanosoma cruzi hypoxanthine phosphoribosyl transferase. Biochim.Biophys.Acta, 1864, 2016
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3PP6
| REP1-NXSQ fatty acid transporter Y128F mutant | 分子名称: | PALMITOLEIC ACID, ReP1-NCXSQ | 著者 | Berberian, G, Bollo, M, Howard, E, Cousido-Siah, A, Mitschler, A, Ayoub, D, Sanglier-Cianferani, S, Van Dorsselaer, A, DiPolo, R, Beauge, L, Petrova, T, Schulze-Briese, C, Wang, M, Podjarny, A. | 登録日 | 2010-11-24 | 公開日 | 2011-12-28 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural and functional studies of ReP1-NCXSQ, a protein regulating the squid nerve Na+/Ca2+ exchanger. Acta Crystallogr.,Sect.D, 68, 2012
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3PPT
| REP1-NXSQ fatty acid transporter | 分子名称: | PALMITOLEIC ACID, ReP1-NCXSQ | 著者 | Berberian, G, Bollo, M, Howard, E, Cousido-Siah, A, Mitschler, A, Ayoub, D, Sanglier-Cianferani, S, Van Dorsselaer, A, DiPolo, R, Beauge, L, Petrova, T, Schulze-Briese, C, Wang, M, Podjarny, A. | 登録日 | 2010-11-25 | 公開日 | 2011-12-21 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | Structural and functional studies of ReP1-NCXSQ, a protein regulating the squid nerve Na+/Ca2+ exchanger. Acta Crystallogr.,Sect.D, 68, 2012
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5NRA
| Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 7g | 分子名称: | 1-(5-azanyl-4~{H}-1,2,4-triazol-3-yl)-~{N}-[2-(4-bromophenyl)ethyl]-~{N}-(2-methylpropyl)piperidin-4-amine, Chitotriosidase-1, GLYCEROL | 著者 | Mazur, M, Olczak, J, Olejniczak, S, Koralewski, R, Czestkowski, W, Jedrzejczak, A, Golab, J, Dzwonek, K, Dymek, B, Sklepkiewicz, P, Zagozdzon, A, Noonan, T, Mahboubi, K, Conway, B, Sheeler, R, Beckett, P, Hungerford, W.M, Podjarny, A, Mitschler, A, Cousido-Siah, A, Fadel, F, Golebiowski, A. | 登録日 | 2017-04-22 | 公開日 | 2018-03-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.267 Å) | 主引用文献 | Targeting Acidic Mammalian chitinase Is Effective in Animal Model of Asthma. J. Med. Chem., 61, 2018
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3GHU
| Human aldose reductase in complex with NADP+ and the inhibitor IDD594. Investigation of global effects of radiation damage on protein structure. Forth stage of radiation damage. | 分子名称: | Aldose reductase, CITRIC ACID, IDD594, ... | 著者 | Petrova, T, Ginell, S, Hazemann, I, Mitschler, A, Podjarny, A, Joachimiak, A. | 登録日 | 2009-03-04 | 公開日 | 2009-03-24 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | X-ray-radiation-induced cooperative atomic movements in protein. J.Mol.Biol., 387, 2009
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3GHS
| Human aldose reductase in complex with NADP+ and the inhibitor IDD594. Investigation of global effects of radiation damage on protein structure. Second stage of radiation damage. | 分子名称: | Aldose reductase, CITRIC ACID, IDD594, ... | 著者 | Petrova, T, Ginell, S, Hazemann, I, Mitschler, A, Podjarny, A, Joachimiak, A. | 登録日 | 2009-03-04 | 公開日 | 2009-03-24 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | X-ray-radiation-induced cooperative atomic movements in protein. J.Mol.Biol., 387, 2009
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3QF6
| Neutron structure of type-III Antifreeze Protein allows the reconstruction of AFP-ice interface | 分子名称: | Type-3 ice-structuring protein HPLC 12 | 著者 | Howard, E.I, Blakeley, M.P, Haertlein, M, Petit-Haertlein, I, Mitschler, A, Fisher, S.J, Cousido-Siah, A, Salvay, A.G, Popov, A, Muller-Dieckmann, C, Petrova, T, Podjarny, A. | 登録日 | 2011-01-21 | 公開日 | 2011-06-22 | 最終更新日 | 2024-03-20 | 実験手法 | NEUTRON DIFFRACTION (1.85 Å) | 主引用文献 | Neutron structure of type-III antifreeze protein allows the reconstruction of AFP-ice interface. J.Mol.Recognit., 24, 2011
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3GHT
| Human aldose reductase in complex with NADP+ and the inhibitor IDD594. Investigation of global effects of radiation damage on protein structure. Third stage of radiation damage. | 分子名称: | Aldose reductase, CITRIC ACID, IDD594, ... | 著者 | Petrova, T, Ginell, S, Hazemann, I, Mitschler, A, Podjarny, A, Joachimiak, A. | 登録日 | 2009-03-04 | 公開日 | 2009-03-24 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | X-ray-radiation-induced cooperative atomic movements in protein. J.Mol.Biol., 387, 2009
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5HR2
| Crystal structure of thioredoxin L94A mutant | 分子名称: | COPPER (II) ION, Thioredoxin | 著者 | Noguera, M.E, Vazquez, D.S, Howard, E.I, Cousido-Siah, A, Mitschler, A, Podjarny, A, Santos, J. | 登録日 | 2016-01-22 | 公開日 | 2017-02-22 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Structural variability of E. coli thioredoxin captured in the crystal structures of single-point mutants. Sci Rep, 7, 2017
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5HR0
| Crystal structure of thioredoxin E101G mutant | 分子名称: | COPPER (II) ION, Thioredoxin | 著者 | Noguera, M.E, Vazquez, D.S, Howard, E.I, Cousido-Siah, A, Mitschler, A, Podjarny, A, Santos, J. | 登録日 | 2016-01-22 | 公開日 | 2017-02-22 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | Structural variability of E. coli thioredoxin captured in the crystal structures of single-point mutants. Sci Rep, 7, 2017
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5HR3
| Crystal structure of thioredoxin N106A mutant | 分子名称: | COPPER (II) ION, ETHANOL, SULFATE ION, ... | 著者 | Noguera, M.E, Vazquez, D.S, Howard, E.I, Cousido-Siah, A, Mitschler, A, Podjarny, A, Santos, J. | 登録日 | 2016-01-22 | 公開日 | 2017-02-22 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.101 Å) | 主引用文献 | Structural variability of E. coli thioredoxin captured in the crystal structures of single-point mutants. Sci Rep, 7, 2017
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5HBF
| Crystal structure of human full-length chitotriosidase (CHIT1) | 分子名称: | Chitotriosidase-1, GLYCEROL | 著者 | Fadel, F, Zhao, Y, Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Podjarny, A. | 登録日 | 2015-12-31 | 公開日 | 2016-05-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | X-Ray Crystal Structure of the Full Length Human Chitotriosidase (CHIT1) Reveals Features of Its Chitin Binding Domain. Plos One, 11, 2016
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5HR1
| Crystal structure of thioredoxin L107A mutant | 分子名称: | COPPER (II) ION, Thioredoxin-1 | 著者 | Noguera, M.E, Vazquez, D.S, Howard, E.I, Cousido-Siah, A, Mitschler, A, Podjarny, A, Santos, J. | 登録日 | 2016-01-22 | 公開日 | 2017-02-22 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.144 Å) | 主引用文献 | Structural variability of E. coli thioredoxin captured in the crystal structures of single-point mutants. Sci Rep, 7, 2017
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5LIK
| 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
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5LIY
| 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
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5LIX
| 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
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5LIU
| 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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5LIW
| Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor MK319 | 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 (1.75 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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1PWL
| Crystal structure of human Aldose Reductase complexed with NADP and Minalrestat | 分子名称: | 2[4-BROMO-2-FLUOROPHENYL)METHYL]-6-FLUOROSPIRO[ISOQUINOLINE-4-(1H),3'-PYRROLIDINE]-1,2',3,5'(2H)-TETRONE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, aldose reductase | 著者 | El-Kabbani, O, Darmanin, C, Schneider, T.R, Hazemann, I, Ruiz, F, Oka, M, Joachimiak, A, Schulze-Briese, C, Tomizaki, T, Mitschler, A, Podjarny, A. | 登録日 | 2003-07-02 | 公開日 | 2004-02-24 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Ultrahigh resolution drug design. II. Atomic resolution structures of human aldose reductase holoenzyme complexed with Fidarestat and Minalrestat: implications for the binding of cyclic imide inhibitors PROTEINS, 55, 2004
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5M2F
| 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
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1US0
| Human Aldose Reductase in complex with NADP+ and the inhibitor IDD594 at 0.66 Angstrom | 分子名称: | ALDOSE REDUCTASE, CITRIC ACID, IDD594, ... | 著者 | Howard, E.I, Sanishvili, R, Cachau, R.E, Mitschler, A, Chevrier, B, Barth, P, Lamour, V, Van Zandt, M, Sibley, E, Bon, C, Moras, D, Schneider, T.R, Joachimiak, A, Podjarny, A. | 登録日 | 2003-11-16 | 公開日 | 2004-05-07 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (0.66 Å) | 主引用文献 | Ultrahigh Resolution Drug Design I: Details of Interactions in Human Aldose Reductase-Inhibitor Complex at 0.66 A. Proteins, 55, 2004
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