6GD4
| Trypanosoma brucei PTR1 in complex with inhibitor 4c (F188) | Descriptor: | 2-amino-1,3-benzothiazole-6-carboxamide, ACETATE ION, GLYCEROL, ... | Authors: | Landi, G, Pozzi, C, Mangani, S. | Deposit date: | 2018-04-21 | Release date: | 2019-04-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
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6GEX
| Trypanosoma brucei PTR1 in complex with inhibitor 2h (F246) | Descriptor: | 4-[(2-azanyl-1,3-benzothiazol-6-yl)sulfanylmethyl]-~{N}-(phenylmethyl)benzamide, ACETATE ION, GLYCEROL, ... | Authors: | Pozzi, C, Landi, G, Mangani, S. | Deposit date: | 2018-04-27 | Release date: | 2019-04-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
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6GEY
| Trypanosoma brucei PTR1 in complex with inhibitor 4g (F125) | Descriptor: | 2-azanyl-~{N}-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazole-6-carboxamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Landi, G, Pozzi, C, Mangani, S. | Deposit date: | 2018-04-27 | Release date: | 2019-04-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
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6TLG
| Ligand-free state of human 14-3-3 sigma isoform | Descriptor: | 14-3-3 protein sigma, DI(HYDROXYETHYL)ETHER, SULFATE ION | Authors: | Tassone, G, Pozzi, C, Mangani, S. | Deposit date: | 2019-12-02 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Identification of Phosphate-Containing Compounds as New Inhibitors of 14-3-3/c-Abl Protein-Protein Interaction. Acs Chem.Biol., 15, 2020
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6TBX
| Trypanosoma brucei PTR1 (TbPTR1) in complex with a tricyclic-based inhibitor | Descriptor: | 2,4-bis(azanyl)-9~{H}-pyrimido[4,5-b]indol-6-ol, ACETATE ION, GLYCEROL, ... | Authors: | Landi, G, Tassone, G, Pozzi, C, Mangani, S. | Deposit date: | 2019-11-04 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | High-resolution crystal structure of Trypanosoma brucei pteridine reductase 1 in complex with an innovative tricyclic-based inhibitor. Acta Crystallogr D Struct Biol, 76, 2020
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6TLF
| human 14-3-3 sigma isoform in complex with IMP | Descriptor: | 14-3-3 protein sigma, INOSINIC ACID, SULFATE ION | Authors: | Tassone, G, Pozzi, C, Mangani, S. | Deposit date: | 2019-12-02 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Identification of Phosphate-Containing Compounds as New Inhibitors of 14-3-3/c-Abl Protein-Protein Interaction. Acs Chem.Biol., 15, 2020
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6TM7
| Human 14-3-3 sigma isoform in complex with PLP | Descriptor: | 14-3-3 protein sigma, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | Authors: | Tassone, G, Pozzi, C, Mangani, S. | Deposit date: | 2019-12-03 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Identification of Phosphate-Containing Compounds as New Inhibitors of 14-3-3/c-Abl Protein-Protein Interaction. Acs Chem.Biol., 15, 2020
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1RJU
| Crystal structure of a truncated form of yeast copper thionein | Descriptor: | COPPER (I) ION, Metallothionein | Authors: | Calderone, V, Dolderer, B, Hartmann, H.J, Echner, H, Luchinat, C, Del Bianco, C, Mangani, S, Weser, U. | Deposit date: | 2003-11-20 | Release date: | 2004-12-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | The Crystal Structure of Yeast Copper Thionein: the solution of a long lasting Enigma. Proc.Natl.Acad.Sci.USA, 102, 2005
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1S4I
| Crystal structure of a SOD-like protein from Bacillus subtilis | Descriptor: | CHLORIDE ION, ZINC ION, superoxide dismutase-like protein yojM | Authors: | Banci, L, Bertini, I, Calderone, V, Cramaro, F, Del Conte, R, Fantoni, A, Mangani, S, Quattrone, A, Viezzoli, M.S. | Deposit date: | 2004-01-16 | Release date: | 2005-04-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A prokaryotic superoxide dismutase paralog lacking two Cu ligands: from largely unstructured in solution to ordered in the crystal. Proc.Natl.Acad.Sci.Usa, 102, 2005
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1SXZ
| Reduced bovine superoxide dismutase at pH 5.0 complexed with azide | Descriptor: | AZIDE ION, CALCIUM ION, COPPER (II) ION, ... | Authors: | Ferraroni, M, Rypniewski, W.R, Bruni, B, Orioli, P, Wilson, K.S, Mangani, S. | Deposit date: | 1998-09-22 | Release date: | 1998-09-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystallographic determination of reduced bovine superoxide dismutase at pH 5.0 and of anion binding to its active site J.Biol.Inorg.Chem., 3, 1998
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1U3N
| A SOD-like protein from B. subtilis, unstructured in solution, becomes ordered in the crystal: implications for function and for fibrillogenesis | Descriptor: | Hypothetical superoxide dismutase-like protein yojM | Authors: | Banci, L, Bertini, I, Calderone, V, Cramaro, F, Del Conte, R, Fantoni, A, Mangani, S, Quattrone, A, Viezzoli, M.S. | Deposit date: | 2004-07-22 | Release date: | 2005-05-03 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | A prokaryotic superoxide dismutase paralog lacking two Cu ligands: from largely unstructured in solution to ordered in the crystal. Proc.Natl.Acad.Sci.Usa, 102, 2005
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1SXS
| Reduced bovine superoxide dismutase at pH 5.0 complexed with thiocyanate | Descriptor: | CALCIUM ION, COPPER (II) ION, PROTEIN (CU-ZN SUPEROXIDE DISMUTASE), ... | Authors: | Ferraroni, M, Rypniewski, W.R, Bruni, B, Orioli, P, Mangani, S. | Deposit date: | 1998-09-24 | Release date: | 1998-09-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystallographic determination of reduced bovine superoxide dismutase at pH 5.0 and of anion binding to its active site J.Biol.Inorg.Chem., 3, 1998
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1SXB
| CRYSTAL STRUCTURE OF REDUCED BOVINE ERYTHROCYTE SUPEROXIDE DISMUTASE AT 1.9 ANGSTROMS RESOLUTION | Descriptor: | COPPER (II) ION, SUPEROXIDE DISMUTASE, ZINC ION | Authors: | Rypniewski, W.R, Mangani, S, Bruni, B, Orioli, P, Casati, M, Wilson, K.S. | Deposit date: | 1995-03-17 | Release date: | 1995-06-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of reduced bovine erythrocyte superoxide dismutase at 1.9 A resolution. J.Mol.Biol., 251, 1995
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1SXN
| REDUCED BOVINE SUPEROXIDE DISMUTASE AT PH 5.0 | Descriptor: | CALCIUM ION, COPPER (II) ION, CU, ... | Authors: | Ferraroni, M, Rypniewski, W.R, Bruni, B, Orioli, P, Wilson, K.S, Mangani, S. | Deposit date: | 1997-09-17 | Release date: | 1998-03-18 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic determination of reduced bovine superoxide dismutase at pH 5.0 and of anion binding to its active site. J.Biol.Inorg.Chem., 3, 1998
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1SXC
| CRYSTAL STRUCTURE OF REDUCED BOVINE ERYTHROCYTE SUPEROXIDE DISMUTASE AT 1.9 ANGSTROMS RESOLUTION | Descriptor: | COPPER (II) ION, SUPEROXIDE DISMUTASE, ZINC ION | Authors: | Rypniewski, W.R, Mangani, S, Bruni, B, Orioli, P, Casati, M, Wilson, K.S. | Deposit date: | 1995-03-17 | Release date: | 1995-06-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of reduced bovine erythrocyte superoxide dismutase at 1.9 A resolution. J.Mol.Biol., 251, 1995
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1SXA
| CRYSTAL STRUCTURE OF REDUCED BOVINE ERYTHROCYTE SUPEROXIDE DISMUTASE AT 1.9 ANGSTROMS RESOLUTION | Descriptor: | COPPER (II) ION, SUPEROXIDE DISMUTASE, ZINC ION | Authors: | Rypniewski, W.R, Mangani, S, Bruni, B, Orioli, P, Casati, M, Wilson, K.S. | Deposit date: | 1995-03-17 | Release date: | 1995-06-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of reduced bovine erythrocyte superoxide dismutase at 1.9 A resolution. J.Mol.Biol., 251, 1995
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6FM6
| Crystal structure of the class C beta-lactamase TRU-1 from Aeromonas enteropelogenes | Descriptor: | Beta-lactamase, SULFATE ION, TRIETHYLENE GLYCOL | Authors: | Pozzi, C, De Luca, F, Di Pisa, F, Benvenuti, M, Docquier, J.D, Mangani, S. | Deposit date: | 2018-01-30 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Atomic-Resolution Structure of a Class C beta-Lactamase and Its Complex with Avibactam. ChemMedChem, 13, 2018
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6GBX
| Crystal structure of human glutaminyl cyclase variant Y115E-Y117E in complex with SEN177 | Descriptor: | 1,2-ETHANEDIOL, 2-fluoranyl-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridin-3-yl]pyridine, Glutaminyl-peptide cyclotransferase, ... | Authors: | Pozzi, C, Di Pisa, F, Benvenuti, M, Mangani, S. | Deposit date: | 2018-04-16 | Release date: | 2018-09-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | The structure of the human glutaminyl cyclase-SEN177 complex indicates routes for developing new potent inhibitors as possible agents for the treatment of neurological disorders. J. Biol. Inorg. Chem., 23, 2018
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6GPH
| Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112A in complex with AMPCP | Descriptor: | Heat shock protein HSP 90-alpha, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER | Authors: | Tassone, G, Pozzi, C, Mangani, S, Botta, M. | Deposit date: | 2018-06-05 | Release date: | 2018-10-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Probing the role of Arg97 in Heat shock protein 90 N-terminal domain from the parasite Leishmania braziliensis through site-directed mutagenesis on the human counterpart. Biochim Biophys Acta Proteins Proteom, 1866, 2018
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6GPT
| Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) in complex with AMPCP | Descriptor: | Heat shock protein HSP 90-alpha, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER | Authors: | Tassone, G, Pozzi, C, Mangani, S, Botta, M. | Deposit date: | 2018-06-07 | Release date: | 2018-10-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Probing the role of Arg97 in Heat shock protein 90 N-terminal domain from the parasite Leishmania braziliensis through site-directed mutagenesis on the human counterpart. Biochim Biophys Acta Proteins Proteom, 1866, 2018
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6FM7
| Crystal structure of the class C beta-lactamase TRU-1 from Aeromonas enteropelogenes in complex with avibactam | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, Beta-lactamase, ... | Authors: | Pozzi, C, De Luca, F, Benvenuti, M, Di Pisa, F, Docquier, J.D, Mangani, S. | Deposit date: | 2018-01-30 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Atomic-Resolution Structure of a Class C beta-Lactamase and Its Complex with Avibactam. ChemMedChem, 13, 2018
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6GQR
| Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) in complex with AMPCPP | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, Heat shock protein HSP 90-alpha, MAGNESIUM ION | Authors: | Tassone, G, Pozzi, C, Mangani, S, Botta, M. | Deposit date: | 2018-06-08 | Release date: | 2018-10-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Probing the role of Arg97 in Heat shock protein 90 N-terminal domain from the parasite Leishmania braziliensis through site-directed mutagenesis on the human counterpart. Biochim Biophys Acta Proteins Proteom, 1866, 2018
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6GPW
| Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) | Descriptor: | CHLORIDE ION, Heat shock protein HSP 90-alpha, MAGNESIUM ION | Authors: | Tassone, G, Pozzi, C, Mangani, S, Botta, M. | Deposit date: | 2018-06-07 | Release date: | 2018-10-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Probing the role of Arg97 in Heat shock protein 90 N-terminal domain from the parasite Leishmania braziliensis through site-directed mutagenesis on the human counterpart. Biochim Biophys Acta Proteins Proteom, 1866, 2018
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6GR1
| Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112R in complex with AMPCPP | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, Heat shock protein HSP 90-alpha, MAGNESIUM ION | Authors: | Tassone, G, Pozzi, C, Mangani, S, Botta, M. | Deposit date: | 2018-06-08 | Release date: | 2018-10-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Probing the role of Arg97 in Heat shock protein 90 N-terminal domain from the parasite Leishmania braziliensis through site-directed mutagenesis on the human counterpart. Biochim Biophys Acta Proteins Proteom, 1866, 2018
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6GR5
| Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112R in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Heat shock protein HSP 90-alpha, MAGNESIUM ION | Authors: | Tassone, G, Pozzi, C, Mangani, S, Botta, M. | Deposit date: | 2018-06-08 | Release date: | 2018-10-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Probing the role of Arg97 in Heat shock protein 90 N-terminal domain from the parasite Leishmania braziliensis through site-directed mutagenesis on the human counterpart. Biochim Biophys Acta Proteins Proteom, 1866, 2018
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