3TUE
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2JC2
| The crystal structure of the natural F112L human sorcin mutant | Descriptor: | SORCIN, SULFATE ION | Authors: | Franceschini, S, Ilari, A, Colotti, G, Chiancone, E. | Deposit date: | 2006-12-19 | Release date: | 2007-08-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular Basis for the Impaired Function of the Natural F112L Sorcin Mutant: X-Ray Crystal Structure, Calcium Affinity, and Interaction with Annexin Vii and the Ryanodine Receptor. Faseb J., 22, 2008
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7NVP
| Trypanothione reductase from Trypanosoma brucei in complex with N-{4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl}-5-nitrothiophene-2-carboxamide | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, N(1),N(8)-bis(glutathionyl)spermidine reductase, ... | Authors: | Battista, T, Fiorillo, A, Colotti, G, Ilari, A. | Deposit date: | 2021-03-15 | Release date: | 2022-03-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.153 Å) | Cite: | Optimization of Potent and Specific Trypanothione Reductase Inhibitors: A Structure-Based Drug Discovery Approach. Acs Infect Dis., 8, 2022
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3G8M
| Serine Hydroxymethyltransferase Y55F Mutant | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, Serine hydroxymethyltransferase | Authors: | Angelucci, F, Ilari, A. | Deposit date: | 2009-02-12 | Release date: | 2009-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Role of a conserved active site cation-pi interaction in Escherichia coli serine hydroxymethyltransferase. Biochemistry, 48, 2009
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4ZQ0
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7AHW
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7ALY
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7AMX
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7BGO
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4UQV
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3KPF
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3KU9
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3L1R
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5BY9
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5SMJ
| Trypanothione reductase | Descriptor: | BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Fiorillo, A, Ilari, A. | Deposit date: | 2022-03-05 | Release date: | 2023-03-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design. Front Mol Biosci, 9, 2022
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5M5J
| Thioredoxin reductase from Giardia duodenalis | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, SODIUM ION, Thioredoxin reductase | Authors: | Fiorillo, A, Ilari, A, Lalle, M. | Deposit date: | 2016-10-21 | Release date: | 2017-05-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural characterization of Giardia duodenalis thioredoxin reductase (gTrxR) and computational analysis of its interaction with NBDHEX. Eur J Med Chem, 135, 2017
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2JK6
| Structure of Trypanothione Reductase from Leishmania infantum | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, TRYPANOTHIONE REDUCTASE | Authors: | Baiocco, P, Colotti, G, Franceschini, S, Ilari, A. | Deposit date: | 2008-08-21 | Release date: | 2009-04-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Molecular Basis of Antimony Treatment in Leishmaniasis. J.Med.Chem., 52, 2009
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4ADW
| CRYSTAL STRUCTURE OF LEISHMANIA INFANTUM TRYPANOTHIONE REDUCTASE IN COMPLEX WITH NADPH AND TRYPANOTHIONE | Descriptor: | BIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINE, FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Baiocco, P, Ilari, A, Colotti, G, Malatesta, F, Fiorillo, A. | Deposit date: | 2012-01-04 | Release date: | 2013-01-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.61 Å) | Cite: | Inhibition of Leishmania Infantum Trypanothione Reductase by Azole-Based Compounds: A Comparative Analysis with its Physiological Substrate by X-Ray Crystallography. Chemmedchem, 8, 2013
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4APN
| Structure of TR from Leishmania infantum in complex with a diarylpirrole-based inhibitor | Descriptor: | 4-[[1-(4-ethylphenyl)-2-methyl-5-(4-methylsulfanylphenyl)pyrrol-3-yl]methyl]thiomorpholine, FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Baiocco, P, Ilari, A, Colotti, G, Biava, M. | Deposit date: | 2012-04-04 | Release date: | 2013-04-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Inhibition of Leishmania Infantum Trypanothione Reductase by Azole-Based Compounds: A Comparative Analysis with its Physiological Substrate by X-Ray Crystallography. Chemmedchem, 8, 2013
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2X50
| Crystal structure of Trypanothione reductase from Leishmania infantum in complex with NADPH and silver | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SILVER ION, ... | Authors: | Baiocco, P, Ilari, A, Colotti, G. | Deposit date: | 2010-02-03 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Inhibitory Effect of Silver Nanoparticles on Trypanothione Reductase Activity and Leishmania Infantum Proliferation Acs Med.Chem.Lett., 2, 2011
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5S9V
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5S9W
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5S9U
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5S9S
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5S9X
| PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z1899842917 | Descriptor: | 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3H)-one, BROMIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Fiorillo, A, Ilari, A. | Deposit date: | 2021-05-18 | Release date: | 2022-06-15 | Last modified: | 2023-03-01 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design. Front Mol Biosci, 9, 2022
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