7BAZ
| Lysozyme crystallized in the presence of the hydrated deep eutectic solvent Choline chloride-Glycerol 1:2 | Descriptor: | ACETATE ION, CHLORIDE ION, CHOLINE ION, ... | Authors: | Belviso, B.D, Caliandro, R, Carrozzini, B. | Deposit date: | 2020-12-16 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Introducing Protein Crystallization in Hydrated Deep Eutectic Solvents Acs Sustain Chem Eng, 9, 2021
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6EO8
| Crystal structure of thrombin in complex with a novel glucose-conjugated potent inhibitor | Descriptor: | DIMETHYL SULFOXIDE, Hirudin variant-2, N-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-[3-(beta-D-glucopyranosyloxy)propoxy]phenyl)-1-(propan-2-yl)piperidine-4-carboxamide, ... | Authors: | Belviso, B.D, Caliandro, R, Aresta, B.M, De Candia, M, Altomare, C.D. | Deposit date: | 2017-10-09 | Release date: | 2017-12-13 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | How a beta-D-glucoside side chain enhances binding affinity to thrombin of inhibitors bearing 2-chlorothiophene as P1 moiety: crystallography, fragment deconstruction study, and evaluation of antithrombotic properties. J. Med. Chem., 57, 2014
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6EO9
| Crystal structure of thrombin in complex with a novel glucose-conjugated potent inhibitor | Descriptor: | DIMETHYL SULFOXIDE, Hirudin variant-2, N-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-{3-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy]propoxy}phenyl)-1-(propan-2-yl)piperidine-4-carboxamide, ... | Authors: | Belviso, B.D, Caliandro, R, Aresta, B.M, De Candia, M, Altomare, C.D. | Deposit date: | 2017-10-09 | Release date: | 2017-12-13 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | How a beta-D-glucoside side chain enhances binding affinity to thrombin of inhibitors bearing 2-chlorothiophene as P1 moiety: crystallography, fragment deconstruction study, and evaluation of antithrombotic properties. J. Med. Chem., 57, 2014
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6FRW
| X-ray structure of the levansucrase from Erwinia tasmaniensis | Descriptor: | GLYCEROL, Levansucrase (Beta-D-fructofuranosyl transferase), ZINC ION | Authors: | Polsinelli, I, Salomone-Stagni, M, Caliandro, R, Demitri, N, Benini, S. | Deposit date: | 2018-02-16 | Release date: | 2019-02-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Comparison of the Levansucrase from the epiphyte Erwinia tasmaniensis vs its homologue from the phytopathogen Erwinia amylovora. Int. J. Biol. Macromol., 127, 2019
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4JA1
| Structure of MMP3 complexed with a platinum-based inhibitor | Descriptor: | CALCIUM ION, CHLORIDE ION, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, ... | Authors: | Belviso, B.D, Arnesano, F, Calderone, V, Caliandro, R, Natile, G, Siliqi, D. | Deposit date: | 2013-02-18 | Release date: | 2013-02-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structure of matrix metalloproteinase-3 with a platinum-based inhibitor. Chem.Commun.(Camb.), 49, 2013
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7OSO
| The crystal structure of Erwinia tasmaniensis levansucrase in complex with (S)-1,2,4-butanentriol | Descriptor: | (2~{S})-butane-1,2,4-triol, Levansucrase (Beta-D-fructofuranosyl transferase), ZINC ION | Authors: | Polsinelli, I, Salomone-Stagni, M, Benini, S. | Deposit date: | 2021-06-09 | Release date: | 2022-06-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Erwinia tasmaniensis levansucrase shows enantiomer selection for (S)-1,2,4-butanetriol. Acta Crystallogr.,Sect.F, 78, 2022
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6I0B
| Human butyrylcholinesterase in complex with the S enantiomer of a chlorotacrine-tryptophan multi-target inhibitor. | Descriptor: | (2~{S})-2-azanyl-~{N}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{H}-indol-3-yl)propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Brazzolotto, X, Nachon, F. | Deposit date: | 2018-10-25 | Release date: | 2019-03-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.384 Å) | Cite: | Novel tacrine-tryptophan hybrids: Multi-target directed ligands as potential treatment for Alzheimer's disease. Eur.J.Med.Chem., 168, 2019
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6I0C
| Human butyrylcholinesterase in complex with the R enantiomer of a chlorotacrine-tryptophan multi-target inhibitor. | Descriptor: | (2~{R})-2-azanyl-~{N}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{H}-indol-3-yl)propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Brazzolotto, X, Nachon, F. | Deposit date: | 2018-10-25 | Release date: | 2019-03-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.675 Å) | Cite: | Novel tacrine-tryptophan hybrids: Multi-target directed ligands as potential treatment for Alzheimer's disease. Eur.J.Med.Chem., 168, 2019
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8ORA
| Human holo aromatic L-amino acid decarboxylase (AADC) external aldimine with L-Dopa methylester | Descriptor: | Dopa decarboxylase (Aromatic L-amino acid decarboxylase), PYRIDOXAL-5'-PHOSPHATE, TETRAETHYLENE GLYCOL, ... | Authors: | Bisello, G, Perduca, M, Bertoldi, M. | Deposit date: | 2023-04-13 | Release date: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Human aromatic amino acid decarboxylase is an asymmetric and flexible enzyme: Implication in aromatic amino acid decarboxylase deficiency. Protein Sci., 32, 2023
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8OR9
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4K7W
| Crystal structure of Zn3-hUb(human ubiquitin) adduct from a solution 100 mM zinc acetate/1.3 mM hUb | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ZINC ION, ... | Authors: | Fermani, S, Falini, G, Calvaresi, M, Bottoni, A, Arnesano, F, Natile, G. | Deposit date: | 2013-04-17 | Release date: | 2013-05-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Conformational selection of ubiquitin quaternary structures driven by zinc ions. Chemistry, 19, 2013
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4K7U
| Crystal structure of Zn2.3-hUb (human ubiquitin) adduct from a solution 70 mM zinc acetate/1.3 mM hUb | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Fermani, S, Falini, G, Calvaresi, M, Bottoni, A, Arnesano, F, Natile, G. | Deposit date: | 2013-04-17 | Release date: | 2013-05-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Conformational selection of ubiquitin quaternary structures driven by zinc ions. Chemistry, 19, 2013
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4K7S
| Crystal structure of Zn2-hUb (human ubiquitin) adduct from a solution 35 mM zinc acetate/1.3 mM hUb | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ZINC ION, ... | Authors: | Fermani, S, Falini, G, Calvaresi, M, Bottoni, A, Arnesano, F, Natile, G. | Deposit date: | 2013-04-17 | Release date: | 2013-05-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Conformational selection of ubiquitin quaternary structures driven by zinc ions. Chemistry, 19, 2013
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