4WKA
| Crystal structure of human chitotriosidase-1 catalytic domain at 0.95 A resolution | 分子名称: | Chitotriosidase-1, L(+)-TARTARIC ACID | 著者 | Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A. | 登録日 | 2014-10-02 | 公開日 | 2015-07-08 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (0.95 Å) | 主引用文献 | New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM. Acta Crystallogr.,Sect.D, 71, 2015
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4WK9
| Crystal structure of human chitotriosidase-1 catalytic domain in complex with chitobiose (0.3mM) at 1.10 A resolution | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitotriosidase-1 | 著者 | Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A. | 登録日 | 2014-10-02 | 公開日 | 2015-07-08 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.102 Å) | 主引用文献 | New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM. Acta Crystallogr.,Sect.D, 71, 2015
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4WKH
| Crystal structure of human chitotriosidase-1 catalytic domain in complex with chitobiose (1mM) at 1.05 A resolution | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitotriosidase-1 | 著者 | Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A. | 登録日 | 2014-10-02 | 公開日 | 2015-07-08 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM. Acta Crystallogr.,Sect.D, 71, 2015
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4WKF
| Crystal structure of human chitotriosidase-1 catalytic domain in complex with chitobiose (2.5mM) at 1.10 A resolution | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitotriosidase-1 | 著者 | Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A. | 登録日 | 2014-10-02 | 公開日 | 2015-07-08 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.101 Å) | 主引用文献 | New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM. Acta Crystallogr.,Sect.D, 71, 2015
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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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7LYZ
| PROTEIN MODEL BUILDING BY THE USE OF A CONSTRAINED-RESTRAINED LEAST-SQUARES PROCEDURE | 分子名称: | HEN EGG WHITE LYSOZYME | 著者 | Moult, J, Yonath, A, Sussman, J, Herzberg, O, Podjarny, A, Traub, W. | 登録日 | 1977-05-06 | 公開日 | 1977-06-20 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Protein Model Building by the Use of a Constrained-Restrained Least-Squares Procedure J.Appl.Crystallogr., 16, 1983
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3GHR
| Human aldose reductase in complex with NADP+ and the inhibitor IDD594. Investigation of global effects of radiation damage on protein structure. First 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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4WEV
| 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
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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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1PWM
| Crystal structure of human Aldose Reductase complexed with NADP and Fidarestat | 分子名称: | (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 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 (0.92 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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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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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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6SJV
| Structure of HPV18 E6 oncoprotein in complex with mutant E6AP LxxLL motif | 分子名称: | Maltodextrin-binding protein,Protein E6,Ubiquitin-protein ligase E3A, ZINC ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | 著者 | Suarez, I.P, Cousido-Siah, A, Bonhoure, A, Kostmann, C, Mitschler, A, Podjarny, A, Trave, G. | 登録日 | 2019-08-14 | 公開日 | 2019-09-04 | 最終更新日 | 2022-03-30 | 実験手法 | X-RAY DIFFRACTION (2.029 Å) | 主引用文献 | Cellular target recognition by HPV18 and HPV49 oncoproteins To be published
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1RNA
| CRYSTALLOGRAPHIC STRUCTURE OF AN RNA HELIX: [U(U-A)6A]2 | 分子名称: | RNA (5'-R(*UP*UP*AP*UP*AP*UP*AP*UP*AP*UP*AP*UP*AP*A)-3') | 著者 | Dock-Bregeon, A.C, Chevrier, B, Podjarny, A, Johnson, J, De Bear, J.S, Gough, G.R, Gilham, P.T, Moras, D. | 登録日 | 1990-02-01 | 公開日 | 1991-04-15 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Crystallographic structure of an RNA helix: [U(UA)6A]2. J.Mol.Biol., 209, 1989
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6SJA
| Structure of HPV16 E6 oncoprotein in complex with IRF3 LxxLL motif | 分子名称: | Maltose/maltodextrin-binding periplasmic protein,Interferon regulatory factor 3, Protein E6, ZINC ION, ... | 著者 | Suarez, I.P, Cousido-Siah, A, Bonhoure, A, Mitschler, A, Podjarny, A, Trave, G. | 登録日 | 2019-08-13 | 公開日 | 2019-09-04 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Deciphering de molecular and structural interaction between IRF3 and HPV16 E6 To be published
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6SMV
| Structure of HPV49 E6 protein in complex with MAML1 LxxLL motif | 分子名称: | DI(HYDROXYETHYL)ETHER, Maltose/maltodextrin-binding periplasmic protein,Protein E6,Mastermind-like protein 1, ZINC ION, ... | 著者 | Suarez, I.P, Cousido-Siah, A, Bonhoure, A, Kostmann, C, Mitschler, A, Podjarny, A, Trave, G. | 登録日 | 2019-08-22 | 公開日 | 2019-09-04 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Cellular target recognition by HPV18 and HPV49 oncoproteins To be published
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6SIV
| Structure of HPV16 E6 oncoprotein in complex with mutant IRF3 LxxLL motif | 分子名称: | Maltose/maltodextrin-binding periplasmic protein,Interferon regulatory factor 3, Protein E6, ZINC ION, ... | 著者 | Suarez, I.P, Cousido-Siah, A, Bonhoure, A, Mitschler, A, Podjarny, A, Trave, G. | 登録日 | 2019-08-12 | 公開日 | 2019-08-21 | 最終更新日 | 2022-03-30 | 実験手法 | X-RAY DIFFRACTION (1.752 Å) | 主引用文献 | Deciphering the molecular and structural interaction between IRF3 and HPV16 E6 To be published
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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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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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