5G4H
| 1.50 A resolution catechol (1,2-dihydroxybenzene) inhibited Sporosarcina pasteurii urease | Descriptor: | 1,2-ETHANEDIOL, CATECHOL, HYDROXIDE ION, ... | Authors: | Mazzei, L, Cianci, M, Musiani, F, Ciurli, S. | Deposit date: | 2016-05-13 | Release date: | 2016-12-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Inactivation of Urease by Catechol: Kinetics and Structure. J.Inorg.Biochem., 166, 2016
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6H8J
| 1.45 A resolution of Sporosarcina pasteurii urease inhibited in the presence of NBPTO | Descriptor: | 1,2-ETHANEDIOL, DIAMIDOPHOSPHATE, NICKEL (II) ION, ... | Authors: | Mazzei, L, Cianci, M, Ciurli, S. | Deposit date: | 2018-08-02 | Release date: | 2019-06-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Insights into Urease Inhibition by N-( n-Butyl) Phosphoric Triamide through an Integrated Structural and Kinetic Approach. J.Agric.Food Chem., 67, 2019
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4AC7
| The crystal structure of Sporosarcina pasteurii urease in complex with citrate | Descriptor: | 1,2-ETHANEDIOL, CITRATE ANION, HYDROXIDE ION, ... | Authors: | Benini, S, Kosikowska, P, Cianci, M, Gonzalez Vara, A, Berlicki, L, Ciurli, S. | Deposit date: | 2011-12-14 | Release date: | 2013-01-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Crystal Structure of Sporosarcina Pasteurii Urease in a Complex with Citrate Provides New Hints for Inhibitor Design. J.Biol.Inorg.Chem., 18, 2013
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5FSD
| 1.75 A resolution 2,5-dihydroxybenzensulfonate inhibited Sporosarcina pasteurii urease | Descriptor: | 1,2-ETHANEDIOL, 2,5-dihydroxybenzenesulfonic acid, HYDROXIDE ION, ... | Authors: | Mazzei, L, Cianci, M, Musiani, F, Ciurli, S. | Deposit date: | 2016-01-04 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Inactivation of Urease by 1,4-Benzoquinone: Chemistry at the Protein Surface. Dalton Trans, 45, 2016
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3UNX
| Bond length analysis of asp, glu and his residues in subtilisin Carlsberg at 1.26A resolution | Descriptor: | CALCIUM ION, GLYCEROL, SODIUM ION, ... | Authors: | Fisher, S.J, Helliwell, J.R, Blakeley, M.P, Cianci, M, McSweeny, S. | Deposit date: | 2011-11-16 | Release date: | 2012-06-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Protonation-state determination in proteins using high-resolution X-ray crystallography: effects of resolution and completeness. Acta Crystallogr.,Sect.D, 68, 2012
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5FSE
| 2.07 A resolution 1,4-Benzoquinone inhibited Sporosarcina pasteurii urease | Descriptor: | 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ... | Authors: | Mazzei, L, Cianci, M, Musiani, F, Ciurli, S. | Deposit date: | 2016-01-04 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Inactivation of Urease by 1,4-Benzoquinone: Chemistry at the Protein Surface. Dalton Trans, 45, 2016
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6ZNZ
| 1.89 A resolution 4-methylcatechol (4-methylbenzene-1,2-diol) inhibited Sporosarcina pasteurii urease | Descriptor: | 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ... | Authors: | Mazzei, L, Cianci, M, Musiani, F, Ciurli, S. | Deposit date: | 2020-07-07 | Release date: | 2020-12-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Inhibition of Urease, a Ni-Enzyme: The Reactivity of a Key Thiol With Mono- and Di-Substituted Catechols Elucidated by Kinetic, Structural, and Theoretical Studies. Angew.Chem.Int.Ed.Engl., 60, 2021
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6ZO3
| 1.55 A resolution 3,6-dimethylcatechol (3,6-dimethylbenzene-1,2-diol) inhibited Sporosarcina pasteurii urease | Descriptor: | 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ... | Authors: | Mazzei, L, Cianci, M, Musiani, F, Ciurli, S. | Deposit date: | 2020-07-07 | Release date: | 2020-12-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Inhibition of Urease, a Ni-Enzyme: The Reactivity of a Key Thiol With Mono- and Di-Substituted Catechols Elucidated by Kinetic, Structural, and Theoretical Studies. Angew.Chem.Int.Ed.Engl., 60, 2021
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6ZO0
| 2.23 A resolution 3,4-dimethylcatechol (3,4-dimethylbenzene-1,2-diol) inhibited Sporosarcina pasteurii urease | Descriptor: | 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ... | Authors: | Mazzei, L, Cianci, M, Musiani, F, Ciurli, S. | Deposit date: | 2020-07-07 | Release date: | 2020-12-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Inhibition of Urease, a Ni-Enzyme: The Reactivity of a Key Thiol With Mono- and Di-Substituted Catechols Elucidated by Kinetic, Structural, and Theoretical Studies. Angew.Chem.Int.Ed.Engl., 60, 2021
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6ZO1
| 1.61 A resolution 3,5-dimethylcatechol (3,5-dimethylbenzene-1,2-diol) inhibited Sporosarcina pasteurii urease | Descriptor: | 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ... | Authors: | Mazzei, L, Cianci, M, Musiani, F, Ciurli, S. | Deposit date: | 2020-07-07 | Release date: | 2020-12-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Inhibition of Urease, a Ni-Enzyme: The Reactivity of a Key Thiol With Mono- and Di-Substituted Catechols Elucidated by Kinetic, Structural, and Theoretical Studies. Angew.Chem.Int.Ed.Engl., 60, 2021
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6ZNY
| 1.50 A resolution 3-methylcatechol (3-methylbenzene-1,2-diol) inhibited Sporosarcina pasteurii urease | Descriptor: | 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ... | Authors: | Mazzei, L, Cianci, M, Musiani, F, Ciurli, S. | Deposit date: | 2020-07-07 | Release date: | 2020-12-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Inhibition of Urease, a Ni-Enzyme: The Reactivity of a Key Thiol With Mono- and Di-Substituted Catechols Elucidated by Kinetic, Structural, and Theoretical Studies. Angew.Chem.Int.Ed.Engl., 60, 2021
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6ZO2
| 1.65 A resolution 4,5-dimethylcatechol (4,5-dimethylbenzene-1,2-diol) inhibited Sporosarcina pasteurii urease | Descriptor: | 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ... | Authors: | Mazzei, L, Cianci, M, Musiani, F, Ciurli, S. | Deposit date: | 2020-07-07 | Release date: | 2020-12-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Inhibition of Urease, a Ni-Enzyme: The Reactivity of a Key Thiol With Mono- and Di-Substituted Catechols Elucidated by Kinetic, Structural, and Theoretical Studies. Angew.Chem.Int.Ed.Engl., 60, 2021
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4YTA
| BOND LENGTH ANALYSIS OF ASP, GLU AND HIS RESIDUES IN TRYPSIN AT 1.2A RESOLUTION | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Fisher, S.J, Helliwell, J.R, Blakeley, M.P, Cianci, M, McSweeny, S. | Deposit date: | 2015-03-17 | Release date: | 2015-05-27 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Protonation-state determination in proteins using high-resolution X-ray crystallography: effects of resolution and completeness. Acta Crystallogr. D Biol. Crystallogr., 68, 2012
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5A6V
| Open and closed conformations and protonation states of Candida antarctica Lipase B: Xenon complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ISOPROPYL ALCOHOL, LIPASE B, ... | Authors: | Stauch, B, Fisher, S.J, Cianci, M. | Deposit date: | 2015-07-01 | Release date: | 2015-10-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Open and Closed States of Candida Antarctica Lipase B: Protonation and the Mechanism of Interfacial Activation. J.Lipid Res., 56, 2015
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5AKS
| Transthyretin binding heterogeneity and anti-amyloidogenic activity of natural polyphenols and their metabolites: resveratrol-3-O- glucuronide | Descriptor: | DIMETHYL SULFOXIDE, Resveratrol-3-O-glucuronide, SULFATE ION, ... | Authors: | Florio, P, Foll, C, Cianci, M, Del Rio, D, Zanotti, G, Berni, R. | Deposit date: | 2015-03-05 | Release date: | 2015-10-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Transthyretin Binding Heterogeneity and Anti-Amyloidogenic Activity of Natural Polyphenols and Their Metabolites J.Biol.Chem., 290, 2015
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5AL8
| Transthyretin binding heterogeneity and anti-amyloidogenic activity of natural polyphenols and their metabolites: daidzein-7-O- glucuronide | Descriptor: | DAIDZEIN-7-O-GLUCURONIDE, TRANSTHYRETIN | Authors: | Florio, P, Foll, C, Cianci, M, Del Rio, D, Zanotti, G, Berni, R. | Deposit date: | 2015-03-06 | Release date: | 2015-10-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Transthyretin Binding Heterogeneity and Anti-Amyloidogenic Activity of Natural Polyphenols and Their Metabolites J.Biol.Chem., 290, 2015
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6RKG
| 1.32 A RESOLUTION OF SPOROSARCINA PASTEURII UREASE INHIBITED IN THE PRESENCE OF NBPTO AT pH 7.5 | Descriptor: | 1,2-ETHANEDIOL, DIAMIDOPHOSPHATE, NICKEL (II) ION, ... | Authors: | Mazzei, L, Cianci, M, Benini, S, Ciurli, S. | Deposit date: | 2019-04-30 | Release date: | 2020-03-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | The Impact of pH on Catalytically Critical Protein Conformational Changes: The Case of the Urease, a Nickel Enzyme. Chemistry, 25, 2019
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6SUH
| Crystal structure of human transthyretin in complex with 3-O-methyltolcapone, a tolcapone analogue | Descriptor: | 3-O-methyltolcapone, Transthyretin | Authors: | Loconte, V, Cianci, M, Menozzi, I, Sbravati, D, Sansone, F, Casnati, A, Berni, R. | Deposit date: | 2019-09-14 | Release date: | 2020-08-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Interactions of tolcapone analogues as stabilizers of the amyloidogenic protein transthyretin. Bioorg.Chem., 103, 2020
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6SUG
| Crystal structure of transthyretin in complex with 3-deoxytolcapone, a tolcapone analogue | Descriptor: | 3-deoxytolcapone, Transthyretin | Authors: | Loconte, V, Cianci, M, Menozzi, I, Sbravati, D, Sansone, F, Casnati, A, Berni, R. | Deposit date: | 2019-09-14 | Release date: | 2020-08-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Interactions of tolcapone analogues as stabilizers of the amyloidogenic protein transthyretin. Bioorg.Chem., 103, 2020
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6RP1
| 1.49 A RESOLUTION OF SPOROSARCINA PASTEURII UREASE INHIBITED IN THE PRESENCE OF NBPTO AT pH 6.5 | Descriptor: | 1,2-ETHANEDIOL, DIAMIDOPHOSPHATE, NICKEL (II) ION, ... | Authors: | Mazzei, L, Cianci, M, Benini, S, Ciurli, S. | Deposit date: | 2019-05-13 | Release date: | 2020-03-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | The Impact of pH on Catalytically Critical Protein Conformational Changes: The Case of the Urease, a Nickel Enzyme. Chemistry, 25, 2019
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4D47
| X-ray structure of the levansucrase from Erwinia amylovora | Descriptor: | LEVANSUCRASE, alpha-D-glucopyranose, beta-D-fructofuranose | Authors: | Wuerges, J, Caputi, L, Cianci, M, Benini, S. | Deposit date: | 2014-10-27 | Release date: | 2015-08-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | The Crystal Structure of Erwinia Amylovora Levansucrase Provides a Snapshot of the Products of Sucrose Hydrolysis Trapped Into the Active Site. J.Struct.Biol., 191, 2015
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5CR1
| Crystal structure of TTR/resveratrol/T4 complex | Descriptor: | 3,5,3',5'-TETRAIODO-L-THYRONINE, RESVERATROL, Transthyretin | Authors: | Zanotti, G, Florio, P, Folli, C, Cianci, M, Del Rio, D, Berni, R. | Deposit date: | 2015-07-22 | Release date: | 2015-10-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.545 Å) | Cite: | Transthyretin Binding Heterogeneity and Anti-amyloidogenic Activity of Natural Polyphenols and Their Metabolites. J.Biol.Chem., 290, 2015
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5AKV
| Transthyretin binding heterogeneity and anti-amyloidogenic activity of natural polyphenols and their metabolites: genistein-7-O- glucuronide | Descriptor: | Genistein-7-O-glucuronide, TRANSTHYRETIN | Authors: | Florio, P, Foll, C, Cianci, M, Del Rio, D, Zanotti, G, Berni, R. | Deposit date: | 2015-03-05 | Release date: | 2015-10-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Transthyretin Binding Heterogeneity and Anti-Amyloidogenic Activity of Natural Polyphenols and Their Metabolites J.Biol.Chem., 290, 2015
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5A6T
| 1.65 A resolution Sulphite inhibited Sporosarcina pasteurii urease | Descriptor: | 1,2-ETHANEDIOL, NICKEL (II) ION, SULFATE ION, ... | Authors: | Mazzei, L, Cianci, M, Benini, S, Bertini, L, Musiani, F, Ciurli, S. | Deposit date: | 2015-07-01 | Release date: | 2015-12-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Kinetic and Structural Studies Reveal a Unique Binding Mode of Sulfite to the Nickel Center in Urease. J.Inorg.Biochem., 154, 2015
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5AKT
| Transthyretin binding heterogeneity and anti-amyloidogenic activity of natural polyphenols and their metabolites: resveratrol-4'-O- glucuronide | Descriptor: | Resveratrol-4'-O-glucuronide, SULFATE ION, TRANSTHYRETIN | Authors: | Florio, P, Folli, C, Cianci, M, Del Rio, D, Zanotti, G, Berni, R. | Deposit date: | 2015-03-05 | Release date: | 2015-10-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Transthyretin Binding Heterogeneity and Anti-Amyloidogenic Activity of Natural Polyphenols and Their Metabolites J.Biol.Chem., 290, 2015
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