6FP4
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![BU of 6fp4 by Molmil](/molmil-images/mine/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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6FMZ
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![BU of 6fmz by Molmil](/molmil-images/mine/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: | 2024-01-17 | 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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6FTC
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![BU of 6ftc by Molmil](/molmil-images/mine/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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6FMU
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![BU of 6fmu by Molmil](/molmil-images/mine/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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8OLW
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![BU of 8olw by Molmil](/molmil-images/mine/8olw) | |
8OLV
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![BU of 8olv by Molmil](/molmil-images/mine/8olv) | Structure of Oceanobacillus iheyensis group II intron in the presence of K+, Mg2+ and ARN25850 | Descriptor: | 2-[2,6-bis(bromanyl)-3,4,5-tris(oxidanyl)phenyl]carbonyl-~{N}-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-carboxamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Group IIC intron, ... | Authors: | Silvestri, I, Marcia, M. | Deposit date: | 2023-03-30 | Release date: | 2024-06-19 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Targeting the conserved active site of splicing machines with specific and selective small molecule modulators. Nat Commun, 15, 2024
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8OLS
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8OLY
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![BU of 8oly by Molmil](/molmil-images/mine/8oly) | |
8OM0
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![BU of 8om0 by Molmil](/molmil-images/mine/8om0) | Structure of Oceanobacillus iheyensis group II intron in the presence of Na+, Mg2+ and intronistat B | Descriptor: | 3,4,5-trihydroxybenzoic acid, Domains 1-5, MAGNESIUM ION, ... | Authors: | Silvestri, I, Marcia, M. | Deposit date: | 2023-03-31 | Release date: | 2024-06-19 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (3.61 Å) | Cite: | Targeting the conserved active site of splicing machines with specific and selective small molecule modulators. Nat Commun, 15, 2024
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8OLZ
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![BU of 8olz by Molmil](/molmil-images/mine/8olz) | Structure of Oceanobacillus iheyensis group II intron in the presence of K+, Mg2+, 5'-exon, and intronistat B after 2h30 soaking | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-exon, DOMAINS 1-5, ... | Authors: | Silvestri, I, Marcia, M. | Deposit date: | 2023-03-30 | Release date: | 2024-06-19 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (3.31 Å) | Cite: | Targeting the conserved active site of splicing machines with specific and selective small molecule modulators. Nat Commun, 15, 2024
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8RUJ
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![BU of 8ruj by Molmil](/molmil-images/mine/8ruj) | Structure of Oceanobacillus iheyensis group II intron in the presence of K+, Mg2+, 5'-exon, and ARN25850 after 1h soaking | Descriptor: | 2-[2,6-bis(bromanyl)-3,4,5-tris(oxidanyl)phenyl]carbonyl-~{N}-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-carboxamide, Domains 1-5, MAGNESIUM ION, ... | Authors: | Silvestri, I, Marcia, M. | Deposit date: | 2024-01-30 | Release date: | 2024-06-19 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | Targeting the conserved active site of splicing machines with specific and selective small molecule modulators. Nat Commun, 15, 2024
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8RUL
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8RUN
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![BU of 8run by Molmil](/molmil-images/mine/8run) | Structure of Oceanobacillus iheyensis group II intron in the presence of Li+, Mg2+, and ARN25850 | Descriptor: | 2-[2,6-bis(bromanyl)-3,4,5-tris(oxidanyl)phenyl]carbonyl-~{N}-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-carboxamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Domains 1-5, ... | Authors: | Silvestri, I, Marcia, M. | Deposit date: | 2024-01-31 | Release date: | 2024-06-19 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (3.73 Å) | Cite: | Targeting the conserved active site of splicing machines with specific and selective small molecule modulators. Nat Commun, 15, 2024
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8RUM
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![BU of 8rum by Molmil](/molmil-images/mine/8rum) | Structure of Oceanobacillus iheyensis group II intron in the presence of Li+, Mg2+, and intronistat B | Descriptor: | Domains 1-5, MAGNESIUM ION, ~{N}-(2-pyrrolidin-1-ylethyl)-2-[3,4,5-tris(oxidanyl)phenyl]carbonyl-1-benzofuran-5-carboxamide | Authors: | Silvestri, I, Marcia, M. | Deposit date: | 2024-01-31 | Release date: | 2024-06-19 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (3.62 Å) | Cite: | Targeting the conserved active site of splicing machines with specific and selective small molecule modulators. Nat Commun, 15, 2024
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8RUI
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![BU of 8rui by Molmil](/molmil-images/mine/8rui) | Structure of Oceanobacillus iheyensis group II intron in the presence of K+, Mg2+, 5'-exon, and intronistat B after 1h soaking | Descriptor: | Domains 1-5, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Silvestri, I, Marcia, M. | Deposit date: | 2024-01-30 | Release date: | 2024-06-19 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (3.31 Å) | Cite: | Targeting the conserved active site of splicing machines with specific and selective small molecule modulators. Nat Commun, 15, 2024
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8RUH
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8RUK
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![BU of 8ruk by Molmil](/molmil-images/mine/8ruk) | Structure of Oceanobacillus iheyensis group II intron in the presence of Na+, Mg2+, and ARN25850 | Descriptor: | 2-[2,6-bis(bromanyl)-3,4,5-tris(oxidanyl)phenyl]carbonyl-~{N}-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-carboxamide, Domains 1-5, MAGNESIUM ION, ... | Authors: | Silvestri, I, Marcia, M. | Deposit date: | 2024-01-31 | Release date: | 2024-06-19 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (4.81 Å) | Cite: | Targeting the conserved active site of splicing machines with specific and selective small molecule modulators. Nat Commun, 15, 2024
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7P0X
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![BU of 7p0x by Molmil](/molmil-images/mine/7p0x) | Crystal structure of Thioredoxin reductase from Brugia Malayi | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Fata, F, Ardini, M, Silvestri, I, Gabriele, F, Cheng, Q, Arner, E.S.J, Williams, D.L. | Deposit date: | 2021-06-30 | Release date: | 2022-04-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.55 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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7PVJ
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![BU of 7pvj by Molmil](/molmil-images/mine/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
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![BU of 7put by Molmil](/molmil-images/mine/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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6RTO
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![BU of 6rto by Molmil](/molmil-images/mine/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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6RTJ
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![BU of 6rtj by Molmil](/molmil-images/mine/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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6RTM
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![BU of 6rtm by Molmil](/molmil-images/mine/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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6ZST
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![BU of 6zst by Molmil](/molmil-images/mine/6zst) | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 3-(3-methoxyquinoxalin-2-yl)propanoic acid | Descriptor: | 3-(3-methoxyquinoxalin-2-yl)propanoic acid, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. | Deposit date: | 2020-07-16 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 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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6ZP3
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![BU of 6zp3 by Molmil](/molmil-images/mine/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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