8P5C
| Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 5 millimolar X77 enantiomer S. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ACETATE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-23 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8P86
| Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 5 mM MG-132, from an "old" crystal. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-31 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8P57
| Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 75 micromolar X77. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-23 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8P54
| Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 150 micromolar MG-132. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-23 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8P5B
| Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 500 micromolar X77 enantiomer S. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-23 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8P5A
| Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 5 millimolar X77 enantiomer R. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-23 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8P56
| Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 150 micromolar X77. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-23 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8P55
| Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 75 micromolar MG-132. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-23 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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5EUU
| Rat prestin STAS domain in complex with chloride | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Prestin,Prestin, ... | Authors: | Lolli, G, Pasqualetto, E, Costanzi, E, Bonetto, G, Battistutta, R. | Deposit date: | 2015-11-19 | Release date: | 2015-12-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | The STAS domain of mammalian SLC26A5 prestin harbours an anion-binding site. Biochem.J., 473, 2016
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5EUS
| Rat prestin STAS domain in complex with bromide | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, Prestin,Rat prestin STAS domain, ... | Authors: | Lolli, G, Pasqualetto, E, Costanzi, E, Bonetto, G, Battistutta, R. | Deposit date: | 2015-11-19 | Release date: | 2015-12-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.833 Å) | Cite: | The STAS domain of mammalian SLC26A5 prestin harbours an anion-binding site. Biochem.J., 473, 2016
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5EUW
| Rat prestin STAS domain in complex with nitrate | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NITRATE ION, ... | Authors: | Lolli, G, Pasqualetto, E, Costanzi, E, Bonetto, G, Battistutta, R. | Deposit date: | 2015-11-19 | Release date: | 2015-12-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | The STAS domain of mammalian SLC26A5 prestin harbours an anion-binding site. Biochem.J., 473, 2016
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5EUX
| Rat prestin STAS domain in complex with thiocyanate | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Prestin,Prestin, ... | Authors: | Lolli, G, Pasqualetto, E, Costanzi, E, Bonetto, G, Battistutta, R. | Deposit date: | 2015-11-19 | Release date: | 2015-12-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.038 Å) | Cite: | The STAS domain of mammalian SLC26A5 prestin harbours an anion-binding site. Biochem.J., 473, 2016
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5EUZ
| Rat prestin STAS domain in complex with iodide | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, IODIDE ION, ... | Authors: | Lolli, G, Pasqualetto, E, Costanzi, E, Bonetto, G, Battistutta, R. | Deposit date: | 2015-11-19 | Release date: | 2015-12-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.403 Å) | Cite: | The STAS domain of mammalian SLC26A5 prestin harbours an anion-binding site. Biochem.J., 473, 2016
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5EZB
| Chicken prestin STAS domain | Descriptor: | Chicken prestin STAS domain,Chicken prestin STAS domain, GLYCEROL, OXALATE ION, ... | Authors: | Lolli, G, Pasqualetto, E, Costanzi, E, Bonetto, G, Battistutta, R. | Deposit date: | 2015-11-26 | Release date: | 2015-12-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The STAS domain of mammalian SLC26A5 prestin harbours an anion-binding site. Biochem.J., 473, 2016
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8QQG
| Structure of BRAF in Complex With Exarafenib (KIN-2787). | Descriptor: | (3~{S})-~{N}-[4-methyl-3-[2-morpholin-4-yl-6-[[(2~{R})-1-oxidanylpropan-2-yl]amino]pyridin-4-yl]phenyl]-3-[2,2,2-tris(fluoranyl)ethyl]pyrrolidine-1-carboxamide, CHLORIDE ION, Serine/threonine-protein kinase B-raf | Authors: | Schmitt, A, Costanzi, E, Kania, R, Chen, Y.K. | Deposit date: | 2023-10-04 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.979 Å) | Cite: | Structure of BRAF in Complex With Exarafenib (KIN-2787). To Be Published
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