6ZP3
 
 | | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 2-Methylindole-3-acetic acid | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-(2-methyl-1~{H}-indol-3-yl)ethanoic acid, CALCIUM ION, ... | | Authors: | Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. | | Deposit date: | 2020-07-08 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments.
Acs Infect Dis., 7, 2021
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6ZLP
 | | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 4-Aminopiazthiole | | Descriptor: | 2,1,3-benzothiadiazol-4-amine, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | Authors: | Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. | | Deposit date: | 2020-06-30 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments.
Acs Infect Dis., 7, 2021
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4B1B
 | | Crystal structure of Plasmodium falciparum oxidised Thioredoxin Reductase at 2.9 angstrom | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, THIOREDOXIN REDUCTASE | | Authors: | Boumis, G, Giardina, G, Dimastrogiovanni, D, Angelucci, F, Saccoccia, F, Brunori, M, Bellelli, A, Miele, A.E. | | Deposit date: | 2012-07-09 | | Release date: | 2012-08-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structure of Plasmodium Falciparum Thioredoxin Reductase, a Validated Drug Target.
Biochem.Biophys.Res.Commun., 425, 2012
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7B02
 | | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 4-Hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid | | Descriptor: | 4-Hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. | | Deposit date: | 2020-11-18 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments.
Acs Infect Dis., 7, 2021
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2XC2
 | | Crystal structure of oxidized Schistosoma mansoni Thioredoxin pre- protein at 1.6 Angstrom | | Descriptor: | CALCIUM ION, THIOREDOXINN, ZINC ION | | Authors: | Boumis, G, Miele, A.E, Dimastrogiovanni, D, Angelucci, F, Bellelli, A. | | Deposit date: | 2010-04-15 | | Release date: | 2010-08-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Structural and Functional Characterization of Schistosoma Mansoni Thioredoxin.
Protein Sci., 20, 2011
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3ZL5
 | | Crystal structure of Schistosoma mansoni Peroxiredoxin I C48S mutant with one decamer in the ASU | | Descriptor: | DI(HYDROXYETHYL)ETHER, PEROXIREDOXIN I, SULFATE ION | | Authors: | Saccoccia, F, Angelucci, F, Ardini, M, Boumis, G, Brunori, M, DiLeandro, L, Ippoliti, R, Miele, A.E, Natoli, G, Scotti, S, Bellelli, A. | | Deposit date: | 2013-01-28 | | Release date: | 2013-09-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.493 Å) | | Cite: | Switching between the Alternative Structures and Functions of a 2-Cys Peroxiredoxin, by Site-Directed Mutagenesis
J.Mol.Biol., 425, 2013
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4BHD
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6FP4
 | | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 1,8-Naphthyridine-2-carboxylic acid | | Descriptor: | (2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid, 1,8-naphthyridine-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Silvestri, I, Fata, F, MIele, A.E, Boumis, G, Williams, D.L, Angelucci, F. | | Deposit date: | 2018-02-09 | | Release date: | 2018-06-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Fragment-Based Discovery of a Regulatory Site in Thioredoxin Glutathione Reductase Acting as "Doorstop" for NADPH Entry.
ACS Chem. Biol., 13, 2018
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6FTC
 | | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with HEPES | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Silvestri, I, Fata, F, MIele, A.E, Boumis, G, Williams, D.L, Angelucci, F. | | Deposit date: | 2018-02-21 | | Release date: | 2018-06-06 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Fragment-Based Discovery of a Regulatory Site in Thioredoxin Glutathione Reductase Acting as "Doorstop" for NADPH Entry.
ACS Chem. Biol., 13, 2018
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6FMU
 | | Thioredoxin glutathione reductase from Schistosome mansoni in complex with 2-[4-(4-amino-butyl)-piperazin-1-yl]-ethanol | | Descriptor: | 2-[4-(4-azanylbutyl)piperazin-1-yl]ethanol, FLAVIN-ADENINE DINUCLEOTIDE, TRIETHYLENE GLYCOL, ... | | Authors: | Silvestri, I, Fata, F, MIele, A.E, Boumis, G, Williams, D.L, Angelucci, F. | | Deposit date: | 2018-02-02 | | Release date: | 2018-06-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Fragment-Based Discovery of a Regulatory Site in Thioredoxin Glutathione Reductase Acting as "Doorstop" for NADPH Entry.
ACS Chem. Biol., 13, 2018
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6FMZ
 | | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 1,4-Bis(2-hydroxyethyl)piperazine | | Descriptor: | 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase | | Authors: | Silvestri, I, Fata, F, MIele, A.E, Boumis, G, Williams, D.L, Angelucci, F. | | Deposit date: | 2018-02-02 | | Release date: | 2018-06-06 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Fragment-Based Discovery of a Regulatory Site in Thioredoxin Glutathione Reductase Acting as "Doorstop" for NADPH Entry.
ACS Chem. Biol., 13, 2018
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2XBI
 | | Crystal structure of Schistosoma mansoni Thioredoxin at 1.6 Angstrom | | Descriptor: | GLYCEROL, THIOREDOXIN | | Authors: | Boumis, G, Miele, A.E, Dimastrogiovanni, D, Angelucci, F, Bellelli, A. | | Deposit date: | 2010-04-12 | | Release date: | 2010-07-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and Functional Characterization of Schistosoma Mansoni Thioredoxin.
Protein Sci., 20, 2011
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2WGR
 | | Combining crystallography and molecular dynamics: The case of Schistosoma mansoni phospholipid glutathione peroxidase | | Descriptor: | GLUTATHIONE PEROXIDASE, PYROPHOSPHATE 2- | | Authors: | Dimastrogiovanni, D, Anselmi, M, Miele, A.E, Boumis, G, Angelucci, F, Di Nola, A, Brunori, M, Bellelli, A. | | Deposit date: | 2009-04-24 | | Release date: | 2009-09-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Combining Crystallography and Molecular Dynamics: The Case of Schistosoma Mansoni Phospholipid Glutathione Peroxidase.
Proteins, 78, 2010
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2V6O
 | | Structure of Schistosoma mansoni Thioredoxin-Glutathione Reductase (SmTGR) | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NITRATE ION, TETRAETHYLENE GLYCOL, ... | | Authors: | Miele, A.E, Angelucci, F, Boumis, G, Dimastrogiovanni, D, Bellelli, A, Brunori, M. | | Deposit date: | 2007-07-19 | | Release date: | 2008-03-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Glutathione Reductase and Thioredoxin Reductase at the Crossroad: The Structure of Schistosoma Mansoni Thioredoxin Glutathione Reductase
Proteins, 72, 2008
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2V1M
 | | Crystal structure of Schistosoma mansoni glutathione peroxidase | | Descriptor: | ACETATE ION, GLUTATHIONE PEROXIDASE, LITHIUM ION, ... | | Authors: | Dimastrogiovanni, D, Miele, A.E, Angelucci, F, Boumis, G, Bellelli, A, Brunori, M. | | Deposit date: | 2008-09-16 | | Release date: | 2009-09-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Combining Crystallography and Molecular Dynamics: The Case of Schistosoma Mansoni Phospholipid Glutathione Peroxidase.
Proteins, 78, 2010
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2CA8
 | | Structure of Sh28GST in complex with GSH at pH 6.0 | | Descriptor: | GLUTATHIONE, GLUTATHIONE S-TRANSFERASE 28 KDA, TETRAETHYLENE GLYCOL | | Authors: | Baiocco, P, Gourlay, L.J, Angelucci, F, Bellelli, A, Miele, A.E, Brunori, M. | | Deposit date: | 2005-12-20 | | Release date: | 2006-06-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Probing the Mechanism of Gsh Activation in Schistosoma Haematobium Glutathione-S-Transferase by Site-Directed Mutagenesis and X-Ray Crystallography.
J.Mol.Biol., 360, 2006
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2C80
 | | Structure of Sh28GST in complex with S-hexyl Glutathione | | Descriptor: | GLUTATHIONE S-TRANSFERASE 28 KDA, S-HEXYLGLUTATHIONE, TETRAETHYLENE GLYCOL | | Authors: | Baiocco, P, Gourlay, L.J, Angelucci, F, Bellelli, A, Brunori, M, Miele, A.E. | | Deposit date: | 2005-11-30 | | Release date: | 2006-06-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Probing the Mechanism of Gsh Activation in Schistosoma Haematobium Glutathione-S-Transferase by Site-Directed Mutagenesis and X-Ray Crystallography.
J.Mol.Biol., 360, 2006
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2C8U
 | | Structure of R21Q mutant of Sh28GST | | Descriptor: | BETA-MERCAPTOETHANOL, GLUTATHIONE S-TRANSFERASE 28 KDA, SULFATE ION | | Authors: | Baiocco, P, Gourlay, L.J, Angelucci, F, Bellelli, A, Miele, A.E, Brunori, M. | | Deposit date: | 2005-12-07 | | Release date: | 2006-06-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Probing the Mechanism of Gsh Activation in Schistosoma Haematobium Glutathione-S-Transferase by Site-Directed Mutagenesis and X-Ray Crystallography.
J.Mol.Biol., 360, 2006
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2CAI
 | | Structure of Glutathione-S-Transferase mutant, R21L, from Schistosoma Haematobium | | Descriptor: | BETA-MERCAPTOETHANOL, GLUTATHIONE S-TRANSFERASE 28 KDA, SULFATE ION, ... | | Authors: | Baiocco, P, Gourlay, L.J, Angelucci, F, Bellelli, A, Brunori, M, Miele, A.E. | | Deposit date: | 2005-12-21 | | Release date: | 2006-06-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Probing the Mechanism of Gsh Activation in Schistosoma Haematobium Glutathione-S-Transferase by Site-Directed Mutagenesis and X-Ray Crystallography.
J.Mol.Biol., 360, 2006
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2CAQ
 | | Structure of R21L mutant of Sh28GST in complex with GSH | | Descriptor: | BETA-MERCAPTOETHANOL, GLUTATHIONE, GLUTATHIONE S-TRANSFERASE 28 KDA, ... | | Authors: | Baiocco, P, Gourlay, L.J, Angelucci, F, Bellelli, A, Miele, A.E, Brunori, M. | | Deposit date: | 2005-12-22 | | Release date: | 2006-06-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Probing the Mechanism of Gsh Activation in Schistosoma Haematobium Glutathione-S-Transferase by Site-Directed Mutagenesis and X-Ray Crystallography.
J.Mol.Biol., 360, 2006
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2F8F
 | | Crystal structure of the Y10F mutant of the gluathione s-transferase from schistosoma haematobium | | Descriptor: | GLUTATHIONE, Glutathione S-transferase 28 kDa | | Authors: | Gourlay, L.J, Baiocco, P, Angelucci, F, Miele, A.E, Bellelli, A, Brunori, M. | | Deposit date: | 2005-12-02 | | Release date: | 2006-07-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Probing the Mechanism of GSH Activation in Schistosoma haematobium Glutathione-S-transferase by Site-directed Mutagenesis and X-ray Crystallography.
J.Mol.Biol., 360, 2006
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2CK1
 | | The structure of oxidised cyclophilin A from s. mansoni | | Descriptor: | ACETATE ION, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E | | Authors: | Gourlay, L.J, Angelucci, F, Bellelli, A, Boumis, G, Miele, A.E, Brunori, M. | | Deposit date: | 2006-04-10 | | Release date: | 2007-05-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Three-Dimensional Structure of Two Redox States of Cyclophilin-A from Schistosoma Mansoni: Evidence for Redox- Regulation of Peptidyl-Prolyl Cis-Trans Isomerase Activity.
J.Biol.Chem., 282, 2007
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2CMT
 | | The structure of reduced cyclophilin A from s. mansoni | | Descriptor: | ACETATE ION, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E | | Authors: | Gourlay, L.J, Angelucci, F, Bellelli, A, Boumis, G, Miele, A.E, Brunori, M. | | Deposit date: | 2006-05-12 | | Release date: | 2007-05-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The Three-Dimensional Structure of Two Redox States of Cyclophilin a from Schistosoma Mansoni. Evidence for Redox Regulation of Peptidyl-Prolyl Cis-Trans Isomerase Activity.
J.Biol.Chem., 282, 2007
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