1VYF
 
 | | schistosoma mansoni fatty acid binding protein in complex with oleic acid | | Descriptor: | 14 KDA FATTY ACID BINDING PROTEIN, OLEIC ACID | | Authors: | Angelucci, F, Johnson, K.A, Baiocco, P, Miele, A.E, Bellelli, A. | | Deposit date: | 2004-04-29 | | Release date: | 2004-09-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Schistosoma Mansoni Fatty Acid Binding Protein: Specificity and Functional Control as Revealed by Crystallographic Structure
Biochemistry, 43, 2004
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1VYG
 | | schistosoma mansoni fatty acid binding protein in complex with arachidonic acid | | Descriptor: | ARACHIDONIC ACID, FATTY ACID BINDING PROTEIN | | Authors: | Angelucci, F, Johnson, K.A, Baiocco, P, Miele, A.E, Bellelli, A. | | Deposit date: | 2004-04-29 | | Release date: | 2004-09-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Schistosoma Mansoni Fatty Acid Binding Protein: Specificity and Functional Control as Revealed by Crystallographic Structure
Biochemistry, 43, 2004
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3H4K
 | | Crystal structure of the wild type Thioredoxin glutatione reductase from Schistosoma mansoni in complex with auranofin | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE, GOLD ION, ... | | Authors: | Angelucci, F, Dimastrogiovanni, D, Miele, A.E, Boumis, G, Brunori, M, Bellelli, A. | | Deposit date: | 2009-04-20 | | Release date: | 2009-08-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Inhibition of Schistosoma mansoni thioredoxin-glutathione reductase by auranofin: structural and kinetic aspects.
J.Biol.Chem., 284, 2009
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2X8C
 | | Thioredoxin glutathione reductase from Schistosoma mansoni with the reduced C-terminal end | | Descriptor: | DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, THIOREDOXIN GLUTATHIONE REDUCTASE, ... | | Authors: | Angelucci, F, Dimastrogiovanni, D, Boumis, G, Brunori, M, Miele, A.E, Saccoccia, F, Bellelli, A. | | Deposit date: | 2010-03-08 | | Release date: | 2010-07-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Mapping the Catalytic Cycle of Schistosoma Mansoni Thioredoxin Glutathione Reductase by X-Ray Crystallography
J.Biol.Chem., 285, 2010
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2X99
 | | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with NADPH | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Angelucci, F, Dimastrogiovanni, D, Boumis, G, Brunori, M, Miele, A.E, Saccoccia, F, Bellelli, A. | | Deposit date: | 2010-03-15 | | Release date: | 2010-07-21 | | Last modified: | 2017-07-12 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Mapping the Catalytic Cycle of Schistosoma Mansoni Thioredoxin Glutathione Reductase by X-Ray Crystallography
J.Biol.Chem., 285, 2010
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2X8H
 | | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with GSH | | Descriptor: | BETA-MERCAPTOETHANOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Angelucci, F, Dimastrogiovanni, D, Boumis, G, Brunori, M, Miele, A.E, Saccoccia, F, Bellelli, A. | | Deposit date: | 2010-03-09 | | Release date: | 2010-07-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mapping the Catalytic Cycle of Schistosoma Mansoni Thioredoxin Glutathione Reductase by X-Ray Crystallography
J.Biol.Chem., 285, 2010
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2X8G
 | | Oxidized thioredoxin glutathione reductase from Schistosoma mansoni | | Descriptor: | DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Angelucci, F, Dimastrogiovanni, D, Boumis, G, Brunori, M, Miele, A.E, Saccoccia, F, Bellelli, A. | | Deposit date: | 2010-03-09 | | Release date: | 2010-07-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mapping the Catalytic Cycle of Schistosoma Mansoni Thioredoxin Glutathione Reductase by X-Ray Crystallography
J.Biol.Chem., 285, 2010
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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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6RTM
 | | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 1-[(dimethylamino)methyl]-2-naphthol at 2 hour of soaking | | Descriptor: | 1-methylidenenaphthalen-2-one, FLAVIN-ADENINE DINUCLEOTIDE, POTASSIUM ION, ... | | Authors: | Angelucci, F, Silvestri, I, Fata, F, Williams, D.L. | | Deposit date: | 2019-05-24 | | Release date: | 2020-01-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Ectopic suicide inhibition of thioredoxin glutathione reductase.
Free Radic Biol Med, 147, 2020
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6RTJ
 | | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 1-[(dimethylamino)methyl]-2-naphthol at 1 hour of soaking | | Descriptor: | 1-[(dimethylamino)methyl]naphthalen-2-ol, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Angelucci, F, Silvestri, I, Fata, F, Williams, D.L. | | Deposit date: | 2019-05-24 | | Release date: | 2020-01-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Ectopic suicide inhibition of thioredoxin glutathione reductase.
Free Radic Biol Med, 147, 2020
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6RTO
 | | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 1-[(dimethylamino)methyl]-2-naphthol at 4 hours of soaking | | Descriptor: | 1-methylidenenaphthalen-2-one, FLAVIN-ADENINE DINUCLEOTIDE, TRIETHYLENE GLYCOL, ... | | Authors: | Angelucci, F, Silvestri, I, Fata, F, Williams, D.L. | | Deposit date: | 2019-05-24 | | Release date: | 2020-01-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Ectopic suicide inhibition of thioredoxin glutathione reductase.
Free Radic Biol Med, 147, 2020
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4UQV
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7PVJ
 | | Crystal structure of Thioredoxin Reductase from Brugia Malayi in complex with auranofin | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Fata, F, Ardini, M, Silvestri, I, Gabriele, F, Ippoliti, R, Gencheva, R, Cheng, Q, Arner, E.S.J, Angelucci, F, Williams, D.L. | | Deposit date: | 2021-10-04 | | Release date: | 2022-04-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Biochemical and structural characterizations of thioredoxin reductase selenoproteins of the parasitic filarial nematodes Brugia malayi and Onchocerca volvulus.
Redox Biol, 51, 2022
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7PUT
 | | Crystal structure of Thioredoxin Reductase from Brugia Malayi in complex with NADP(H) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Fata, F, Ardini, M, Silvestri, I, Gabriele, F, Ippoliti, R, Gencheva, R, Cheng, Q, Arner, E.S.J, Angelucci, F, Williams, D.L. | | Deposit date: | 2021-09-30 | | Release date: | 2022-04-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Biochemical and structural characterizations of thioredoxin reductase selenoproteins of the parasitic filarial nematodes Brugia malayi and Onchocerca volvulus.
Redox Biol, 51, 2022
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7NPX
 | | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 3-(3-Methoxyquinoxalin-2-yl)propanoic acid at 24 hours of soaking | | Descriptor: | 3-(3-methoxyquinoxalin-2-yl)propanoic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. | | Deposit date: | 2021-02-28 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.7 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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8A1R
 | | cryo-EM structure of thioredoxin glutathione reductase in complex with a non-competitive inhibitor | | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-[3-[[[(1~{R},2~{R},3~{R},5~{S})-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]amino]methyl]indol-1-yl]oxane-3,4,5-triol, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase | | Authors: | Ardini, M, Angelucci, F, Fata, F, Gabriele, F, Effantin, G, Ling, W, Williams, D.L, Petukhova, V.Z, Petukhov, P.A. | | Deposit date: | 2022-06-01 | | Release date: | 2023-06-14 | | Last modified: | 2023-07-05 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Non-covalent inhibitors of thioredoxin glutathione reductase with schistosomicidal activity in vivo.
Nat Commun, 14, 2023
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8AKP
 | | Crystal structure of the catalytic domain of G7048 from Penicillium sumatraense | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, catalytic domain of G7048 | | Authors: | Troilo, F, Scafati, V, Giovannoni, M, Mattei, B, Benedetti, M, Angelucci, F, Di Matteo, A. | | Deposit date: | 2022-07-30 | | Release date: | 2022-12-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Characterization of two 1,3-beta-glucan-modifying enzymes from Penicillium sumatraense reveals new insights into 1,3-beta-glucan metabolism of fungal saprotrophs.
Biotechnol Biofuels Bioprod, 15, 2022
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1OE8
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1OE7
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2XBQ
 | | Crystal structure of reduced Schistosoma mansoni Thioredoxin pre- protein at 1.7 Angstrom | | Descriptor: | THIOREDOXIN, ZINC ION | | Authors: | Boumis, G, Miele, A.E, Dimastrogiovanni, D, Angelucci, F, Bellelli, A. | | Deposit date: | 2010-04-14 | | Release date: | 2010-07-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Structural and Functional Characterization of Schistosoma Mansoni Thioredoxin.
Protein Sci., 20, 2011
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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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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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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: | 2024-01-17 | | 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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6ZLB
 | | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with Indole-3-carbinol | | Descriptor: | 1~{H}-indol-3-ylmethanol, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 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 (1.9 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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