6Z2Z
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6Z2U
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8OF2
| Trypanosoma brucei pteridine reductase 1 (TbPTR1) in complex with 2,4,6 triamminopyrimidine (TAP) | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Tassone, G, Landi, G, Mangani, S, Pozzi, C. | Deposit date: | 2023-03-13 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | The discovery of aryl-2-nitroethyl triamino pyrimidines as anti-Trypanosoma brucei agents. Eur.J.Med.Chem., 264, 2023
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8BDY
| Crystal structure of TRIM33 alpha PHD-Bromo domain in complex with 9 | Descriptor: | 1,3-dimethylbenzimidazol-2-one, CALCIUM ION, E3 ubiquitin-protein ligase TRIM33, ... | Authors: | Tassone, G, Pozzi, C, Palomba, T. | Deposit date: | 2022-10-20 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Exploiting ELIOT for Scaffold-Repurposing Opportunities: TRIM33 a Possible Novel E3 Ligase to Expand the Toolbox for PROTAC Design. Int J Mol Sci, 23, 2022
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8BD9
| Crystal structure of TRIM33 alpha PHD-Bromo domain in complex with 10 | Descriptor: | 1,3-dimethylbenzimidazol-2-one, CALCIUM ION, E3 ubiquitin-protein ligase TRIM33, ... | Authors: | Tassone, G, Pozzi, C, Palomba, T. | Deposit date: | 2022-10-18 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Exploiting ELIOT for Scaffold-Repurposing Opportunities: TRIM33 a Possible Novel E3 Ligase to Expand the Toolbox for PROTAC Design. Int J Mol Sci, 23, 2022
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8BD8
| Crystal structure of TRIM33 alpha PHD-Bromo domain in complex with 8 | Descriptor: | 1,3-dimethylbenzimidazol-2-one, CALCIUM ION, E3 ubiquitin-protein ligase TRIM33, ... | Authors: | Tassone, G, Pozzi, C, Palomba, T. | Deposit date: | 2022-10-18 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Exploiting ELIOT for Scaffold-Repurposing Opportunities: TRIM33 a Possible Novel E3 Ligase to Expand the Toolbox for PROTAC Design. Int J Mol Sci, 23, 2022
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7PP0
| Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in complex with compound 28 (JMV-7038) | Descriptor: | 2-[2-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethyl]benzoic acid, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ... | Authors: | Tassone, G, Benvenuti, M, Verdirosa, F, Corsica, G, Chelini, G, De Luca, F, Docquier, J.D, Pozzi, C, Mangani, S. | Deposit date: | 2021-09-10 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | 1,2,4-Triazole-3-Thione Analogues with a 2-Ethylbenzoic Acid at Position 4 as VIM-type Metallo-beta-Lactamase Inhibitors. Chemmedchem, 17, 2022
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7OVH
| Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in Complex with compound 14 (JMV-6931) | Descriptor: | ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, UNKNOWN LIGAND, ... | Authors: | Tassone, G, Benvenuti, M, Verdirosa, F, Sannio, F, Marcoccia, F, Docquier, J.D, Pozzi, C, Mangani, S. | Deposit date: | 2021-06-14 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 1,2,4-Triazole-3-thione compounds with a 4-ethyl alkyl/aryl sulfide substituent are broad-spectrum metallo-beta-lactamase inhibitors with re-sensitization activity. Eur.J.Med.Chem., 226, 2021
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7OVE
| Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in Complex with compound 10 (JMV-7210) | Descriptor: | ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, UNKNOWN LIGAND, ... | Authors: | Tassone, G, Benvenuti, M, Verdirosa, F, Sannio, F, Mangani, S, Docquier, J.D, Pozzi, C, Marcoccia, F. | Deposit date: | 2021-06-14 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | 1,2,4-Triazole-3-thione compounds with a 4-ethyl alkyl/aryl sulfide substituent are broad-spectrum metallo-beta-lactamase inhibitors with re-sensitization activity. Eur.J.Med.Chem., 226, 2021
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7OVF
| Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in Complex with compound 8 (JMV-7207) | Descriptor: | 4-[2-[(4-fluorophenyl)methylsulfanyl]ethyl]-3-phenyl-1H-1,2,4-triazole-5-thione, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ... | Authors: | Tassone, G, Benvenuti, M, Verdirosa, F, Sannio, F, Marcoccia, F, Docquier, J.D, Pozzi, C, Mangani, S. | Deposit date: | 2021-06-14 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 1,2,4-Triazole-3-thione compounds with a 4-ethyl alkyl/aryl sulfide substituent are broad-spectrum metallo-beta-lactamase inhibitors with re-sensitization activity. Eur.J.Med.Chem., 226, 2021
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8A4M
| Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in complex with compound 8 (JMV-7061) | Descriptor: | (2~{S})-2-[bis(1~{H}-imidazol-4-ylmethyl)amino]-5-(3-phenyl-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl)pentanoic acid, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ... | Authors: | Tassone, G, Benvenuti, M, Verdirosa, F, Corsica, G, Sannio, F, Docquier, J.D, Pozzi, C, Mangani, S. | Deposit date: | 2022-06-13 | Release date: | 2023-04-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Optimization of 1,2,4-Triazole-3-thiones toward Broad-Spectrum Metallo-beta-lactamase Inhibitors Showing Potent Synergistic Activity on VIM- and NDM-1-Producing Clinical Isolates. J.Med.Chem., 65, 2022
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8A59
| C-type lectin-like domain (CTLD) and Sushi-like domain of human CD93 | Descriptor: | Complement component C1q receptor, GLYCEROL, SULFATE ION | Authors: | Tassone, G, Barbera, S, Raucci, L, Orlandini, M, Pozzi, C. | Deposit date: | 2022-06-14 | Release date: | 2022-11-02 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Dimerization of the C-type lectin-like receptor CD93 promotes its binding to Multimerin-2 in endothelial cells. Int.J.Biol.Macromol., 224, 2023
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8AGI
| Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) in complex with JMC31 | Descriptor: | 1-[2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-5-[4-[(cyclohexylmethylamino)methyl]phenyl]-~{N}-ethyl-1,2,3-triazole-4-carboxamide, Heat shock protein HSP 90-alpha | Authors: | Tassone, G, Pozzi, C, Mazzorana, M, Mangani, S, Maramai, S. | Deposit date: | 2022-07-20 | Release date: | 2022-09-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Characterization of Human Heat Shock Protein 90 N-Terminal Domain and Its Variants K112R and K112A in Complex with a Potent 1,2,3-Triazole-Based Inhibitor. Int J Mol Sci, 23, 2022
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8AGJ
| Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112A in complex with JMC31 | Descriptor: | 1-[2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-5-[4-[(cyclohexylmethylamino)methyl]phenyl]-~{N}-ethyl-1,2,3-triazole-4-carboxamide, Heat shock protein HSP 90-alpha | Authors: | Tassone, G, Pozzi, C, Mazzorana, M, Mangani, S, Maramai, S. | Deposit date: | 2022-07-20 | Release date: | 2022-09-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Structural Characterization of Human Heat Shock Protein 90 N-Terminal Domain and Its Variants K112R and K112A in Complex with a Potent 1,2,3-Triazole-Based Inhibitor. Int J Mol Sci, 23, 2022
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8AGL
| Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112R in complex with JMC31 | Descriptor: | 1-[2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-5-[4-[(cyclohexylmethylamino)methyl]phenyl]-~{N}-ethyl-1,2,3-triazole-4-carboxamide, Heat shock protein HSP 90-alpha | Authors: | Tassone, G, Pozzi, C, Mazzorana, M, Mangani, S, Maramai, S. | Deposit date: | 2022-07-20 | Release date: | 2022-09-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Characterization of Human Heat Shock Protein 90 N-Terminal Domain and Its Variants K112R and K112A in Complex with a Potent 1,2,3-Triazole-Based Inhibitor. Int J Mol Sci, 23, 2022
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9ETC
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9ETG
| Crystal structure of recombinant chicken liver Bile Acid Binding Protein (cL-BABP) in complex with CA-M11 | Descriptor: | Fatty acid-binding protein, liver, [4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-yl)methyl]phenyl] (4~{R})-4-[(3~{R},5~{R},7~{R},8~{R},9~{S},10~{S},12~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoate | Authors: | Tassone, G, Pozzi, C, Maramai, S. | Deposit date: | 2024-03-26 | Release date: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Exploiting the bile acid binding protein as transporter of a Cholic Acid/Mirin bioconjugate for potential applications in liver cancer therapy. Sci Rep, 14, 2024
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9FXG
| Crystal structure of double mutant Y115E Y117E human Glutaminyl Cyclase in apo-state | Descriptor: | 1,2-ETHANEDIOL, Glutaminyl-peptide cyclotransferase, SULFATE ION | Authors: | Tassone, G, Pozzi, C, Mangani, S. | Deposit date: | 2024-07-01 | Release date: | 2024-09-04 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Metal Ion Binding to Human Glutaminyl Cyclase: A Structural Perspective. Int J Mol Sci, 25, 2024
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9FXI
| Crystal structure of cobalt(II)-substituted double mutant Y115E Y117E human Glutaminyl Cyclase in complex with SEN177 | Descriptor: | 2-fluoranyl-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridin-3-yl]pyridine, COBALT (II) ION, Glutaminyl-peptide cyclotransferase, ... | Authors: | Tassone, G, Pozzi, C, Mangani, S. | Deposit date: | 2024-07-01 | Release date: | 2024-09-04 | Method: | X-RAY DIFFRACTION (3.06 Å) | Cite: | Metal Ion Binding to Human Glutaminyl Cyclase: A Structural Perspective. Int J Mol Sci, 25, 2024
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9FXJ
| Crystal structure of cobalt(II)-substituted double mutant Y115E Y117E human Glutaminyl Cyclase in complex with PBD-150 | Descriptor: | 1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea, COBALT (II) ION, Glutaminyl-peptide cyclotransferase, ... | Authors: | Tassone, G, Pozzi, C, Mangani, S. | Deposit date: | 2024-07-01 | Release date: | 2024-09-04 | Method: | X-RAY DIFFRACTION (3.06 Å) | Cite: | Metal Ion Binding to Human Glutaminyl Cyclase: A Structural Perspective. Int J Mol Sci, 25, 2024
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9FXH
| Crystal structure of cobalt(II)-substituted double mutant Y115E Y117E human Glutaminyl Cyclase | Descriptor: | COBALT (II) ION, GLYCEROL, Glutaminyl-peptide cyclotransferase, ... | Authors: | Tassone, G, Pozzi, C, Mangani, S. | Deposit date: | 2024-07-01 | Release date: | 2024-09-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Metal Ion Binding to Human Glutaminyl Cyclase: A Structural Perspective. Int J Mol Sci, 25, 2024
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9ETE
| Crystal structure of recombinant chicken liver Bile Acid Binding Protein (cL-BABP) in complex with deoxycholic acid | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, Fatty acid-binding protein, liver | Authors: | Tassone, G, Pozzi, C. | Deposit date: | 2024-03-26 | Release date: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Exploiting the bile acid binding protein as transporter of a Cholic Acid/Mirin bioconjugate for potential applications in liver cancer therapy. Sci Rep, 14, 2024
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9ETF
| Crystal structure of recombinant chicken liver Bile Acid Binding Protein (cL-BABP) in complex with lithocholic acid | Descriptor: | (3beta,5beta,14beta,17alpha)-3-hydroxycholan-24-oic acid, Fatty acid-binding protein, liver | Authors: | Tassone, G, Pozzi, C. | Deposit date: | 2024-03-26 | Release date: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Exploiting the bile acid binding protein as transporter of a Cholic Acid/Mirin bioconjugate for potential applications in liver cancer therapy. Sci Rep, 14, 2024
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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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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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