7POZ
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7ZW7
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7P2V
| Crystal structure of Schistosoma mansoni HDAC8 in complex with a 4-chlorophenyl-spiroindoline capped hydroxamate-based inhibitor, bound to a novel site | Descriptor: | 5-[[(2S)-2-(4-chlorophenyl)-1'-methyl-spiro[2H-indole-3,4'-piperidine]-1-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide, DI(HYDROXYETHYL)ETHER, Histone deacetylase 8, ... | Authors: | Saccoccia, F, Gemma, S, Campiani, G, Ruberti, G. | Deposit date: | 2021-07-06 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structures of Schistosoma mansoni histone deacetylase 8 reveal a novel binding site for allosteric inhibitors. J.Biol.Chem., 298, 2022
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7P2T
| Tetartohedrally twinned crystal structure of Schistosoma mansoni HDAC8 in complex with a tricyclic thieno[3,2-b]indole capped hydroxamate-based inhibitor, bromine derivative | Descriptor: | 5-[[(2R)-7-bromanyl-2-phenyl-2,3-dihydrothieno[3,2-b]indol-4-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide, CHLORIDE ION, Histone deacetylase 8, ... | Authors: | Saccoccia, F, Gemma, S, Campiani, G, Ruberti, G. | Deposit date: | 2021-07-06 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of Schistosoma mansoni histone deacetylase 8 reveal a novel binding site for allosteric inhibitors. J.Biol.Chem., 298, 2022
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7P2U
| Crystal structure of Schistosoma mansoni HDAC8 in complex with a 3-chlorophenyl-spiroindoline capped hydroxamate-based inhibitor, bound to a novel site | Descriptor: | 5-[[(2R)-2-(3-chlorophenyl)-1'-methyl-spiro[2H-indole-3,4'-piperidine]-1-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide, CHLORIDE ION, Histone deacetylase 8, ... | Authors: | Saccoccia, F, Gemma, S, Campiani, G, Ruberti, G. | Deposit date: | 2021-07-06 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of Schistosoma mansoni histone deacetylase 8 reveal a novel binding site for allosteric inhibitors. J.Biol.Chem., 298, 2022
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7P2S
| Crystal structure of Schistosoma mansoni HDAC8 in complex with a tricyclic thieno[3,2-b]indole capped hydroxamate-based inhibitor, chlorine derivative | Descriptor: | 5-[[(2R)-7-fluoranyl-2-phenyl-2,3-dihydrothieno[3,2-b]indol-4-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide, Histone deacetylase 8, POTASSIUM ION, ... | Authors: | Saccoccia, F, Gemma, S, Campiani, G, Ruberti, G. | Deposit date: | 2021-07-06 | Release date: | 2022-07-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of Schistosoma mansoni histone deacetylase 8 reveal a novel binding site for allosteric inhibitors. J.Biol.Chem., 298, 2022
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3ZTL
| Crystal structure of decameric form of Peroxiredoxin I from Schistosoma mansoni | Descriptor: | THIOREDOXIN PEROXIDASE | Authors: | Saccoccia, F, Angelucci, F, Bellelli, A, Boumis, G, Brunori, M, Miele, A.E. | Deposit date: | 2011-07-11 | Release date: | 2012-03-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Moonlighting by Different Stressors: Crystal Structure of the Chaperone Species of a 2-Cys Peroxiredoxin. Structure, 20, 2012
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3ZVJ
| Crystal structure of high molecular weight (HMW) form of Peroxiredoxin I from Schistosoma mansoni | Descriptor: | THIOREDOXIN PEROXIDASE | Authors: | Saccoccia, F, Angelucci, F, Bellelli, A, Boumis, G, Brunori, M, Miele, A.E. | Deposit date: | 2011-07-25 | Release date: | 2012-03-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Moonlighting by Different Stressors: Crystal Structure of the Chaperone Species of a 2-Cys Peroxiredoxin. Structure, 20, 2012
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4UQV
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3ZLP
| Crystal structure of Schistosoma mansoni Peroxiredoxin 1 C48P mutant form with four decamers in the asymmetric unit | Descriptor: | THIOREDOXIN PEROXIDASE | 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: | 2013-02-04 | Release date: | 2013-09-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.515 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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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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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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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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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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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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3CDS
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3D6D
| Crystal Structure of the complex between PPARgamma LBD and the LT175(R-enantiomer) | Descriptor: | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Pochetti, G, Montanari, R. | Deposit date: | 2008-05-19 | Release date: | 2008-12-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of the Peroxisome Proliferator-Activated Receptor gamma (PPARgamma) Ligand Binding Domain Complexed with a Novel Partial Agonist: A New Region of the Hydrophobic Pocket Could Be Exploited for Drug Design J.Med.Chem., 51, 2008
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3B3K
| Crystal structure of the complex between PPARgamma and the full agonist LT175 | Descriptor: | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Pochetti, G, Montanari, R, Mazza, F, Loiodice, F, Fracchiolla, G, Crestani, M, Godio, C. | Deposit date: | 2007-10-22 | Release date: | 2008-10-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of the Peroxisome Proliferator-Activated Receptor gamma (PPARgamma) Ligand Binding Domain Complexed with a Novel Partial Agonist: A New Region of the Hydrophobic Pocket Could Be Exploited for Drug Design J.Med.Chem., 51, 2008
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6V7A
| Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 (CD2) complexed with NF2657 | Descriptor: | Hdac6 protein, N-hydroxy-4-[(1-methyl-1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)methyl]benzamide, POTASSIUM ION, ... | Authors: | Osko, J.D, Christianson, D.W. | Deposit date: | 2019-12-08 | Release date: | 2020-12-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.0874176 Å) | Cite: | Spiroindoline-Capped Selective HDAC6 Inhibitors: Design, Synthesis, Structural Analysis, and Biological Evaluation. Acs Med.Chem.Lett., 11, 2020
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4O8F
| Crystal Structure of the complex between PPARgamma mutant R357A and rosiglitazone | Descriptor: | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), Peroxisome proliferator-activated receptor gamma | Authors: | Pochetti, G, Montanari, R, Capelli, D, Chiaraluce, R, Consalvi, V, Lori, C, Loiodice, F, Laghezza, A, Pasquo, A, Cervoni, L, Aschi, M. | Deposit date: | 2013-12-27 | Release date: | 2014-07-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis of the transactivation deficiency of the human PPAR gamma F360L mutant associated with familial partial lipodystrophy. Acta Crystallogr.,Sect.D, 70, 2014
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6V79
| Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 (CD2) complexed with NF2376 | Descriptor: | 1,2-ETHANEDIOL, 4-{[(2S)-3,3-dimethyl-2-(pyridin-3-yl)-2,3-dihydro-1H-indol-1-yl]methyl}-N-hydroxybenzamide, Hdac6 protein, ... | Authors: | Osko, J.D, Christianson, D.W. | Deposit date: | 2019-12-08 | Release date: | 2020-12-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.03951526 Å) | Cite: | Harnessing the Role of HDAC6 in Idiopathic Pulmonary Fibrosis: Design, Synthesis, Structural Analysis, and Biological Evaluation of Potent Inhibitors. J.Med.Chem., 64, 2021
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6F2L
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