3UNX
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![BU of 3unx by Molmil](/molmil-images/mine/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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2ALG
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![BU of 2alg by Molmil](/molmil-images/mine/2alg) | Crystal structure of peach Pru p3, the prototypic member of the family of plant non-specific lipid transfer protein pan-allergens | Descriptor: | HEPTANE, HEXAETHYLENE GLYCOL, LAURIC ACID, ... | Authors: | Pasquato, N, Berni, R, Folli, C, Folloni, S, Cianci, M, Pantano, S, Helliwell, J, Zanotti, G. | Deposit date: | 2005-08-05 | Release date: | 2005-11-29 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Peach Pru p 3, the Prototypic Member of the Family of Plant Non-specific Lipid Transfer Protein Pan-allergens J.Mol.Biol., 356, 2006
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5G4H
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![BU of 5g4h by Molmil](/molmil-images/mine/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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4WO0
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![BU of 4wo0 by Molmil](/molmil-images/mine/4wo0) | Crystal structure of transthyretin in complex with apigenin | Descriptor: | 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, Transthyretin | Authors: | Zanotti, G, Cianci, M, Folli, C, Berni, R. | Deposit date: | 2014-10-15 | Release date: | 2015-08-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.339 Å) | Cite: | Structural evidence for asymmetric ligand binding to transthyretin. Acta Crystallogr.,Sect.D, 71, 2015
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4WNJ
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![BU of 4wnj by Molmil](/molmil-images/mine/4wnj) | Crystal structure of Transthyretin-quercetin complex | Descriptor: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, DIMETHYL SULFOXIDE, Transthyretin | Authors: | Zanotti, G, Cianci, M, Berni, R, Folli, C. | Deposit date: | 2014-10-13 | Release date: | 2015-08-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.398 Å) | Cite: | Structural evidence for asymmetric ligand binding to transthyretin. Acta Crystallogr.,Sect.D, 71, 2015
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5FSD
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![BU of 5fsd by Molmil](/molmil-images/mine/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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4WNS
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![BU of 4wns by Molmil](/molmil-images/mine/4wns) | Crystal structure of Transthyretin complexed with pterostilbene | Descriptor: | DIMETHYL SULFOXIDE, Pterostilbene, SULFATE ION, ... | Authors: | Zanotti, G, Cianci, M, Folli, C, Berni, R. | Deposit date: | 2014-10-14 | Release date: | 2015-08-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.399 Å) | Cite: | Structural evidence for asymmetric ligand binding to transthyretin. Acta Crystallogr.,Sect.D, 71, 2015
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5FSE
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![BU of 5fse by Molmil](/molmil-images/mine/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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1DP2
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![BU of 1dp2 by Molmil](/molmil-images/mine/1dp2) | |
6SUG
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![BU of 6sug by Molmil](/molmil-images/mine/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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6ZO1
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![BU of 6zo1 by Molmil](/molmil-images/mine/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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6ZO0
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![BU of 6zo0 by Molmil](/molmil-images/mine/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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6ZNY
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![BU of 6zny by Molmil](/molmil-images/mine/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
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![BU of 6zo2 by Molmil](/molmil-images/mine/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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6SUH
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![BU of 6suh by Molmil](/molmil-images/mine/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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6ZNZ
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![BU of 6znz by Molmil](/molmil-images/mine/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
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![BU of 6zo3 by Molmil](/molmil-images/mine/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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4D48
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![BU of 4d48 by Molmil](/molmil-images/mine/4d48) | Crystal Structure of glucose-1-phosphate uridylyltransferase GalU from Erwinia amylovora. | Descriptor: | GLUCOSE-1-PHOSPHATE URIDYLYLTRANSFERASE | Authors: | Toccafondi, M, Wuerges, J, Cianci, M, Benini, S. | Deposit date: | 2014-10-27 | Release date: | 2016-01-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Glucose-1-phosphate uridylyltransferase from Erwinia amylovora: Activity, structure and substrate specificity. Biochim. Biophys. Acta, 1865, 2017
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4CEU
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![BU of 4ceu by Molmil](/molmil-images/mine/4ceu) | 1.58 A resolution native Sporosarcina pasteurii urease | Descriptor: | 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ... | Authors: | Benini, S, Cianci, M, Ciurli, S. | Deposit date: | 2013-11-12 | Release date: | 2014-08-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Fluoride Inhibition of Sporosarcina Pasteurii Urease: Structure and Thermodynamics. J.Biol.Inorg.Chem., 19, 2014
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4CEX
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![BU of 4cex by Molmil](/molmil-images/mine/4cex) | 1.59 A resolution Fluoride inhibited Sporosarcina pasteurii urease | Descriptor: | 1,2-ETHANEDIOL, FLUORIDE ION, NICKEL (II) ION, ... | Authors: | Benini, S, Cianci, M, Ciurli, S. | Deposit date: | 2013-11-12 | Release date: | 2014-08-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.589 Å) | Cite: | Fluoride Inhibition of Sporosarcina Pasteurii Urease: Structure and Thermodynamics. J.Biol.Inorg.Chem., 19, 2014
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5CR1
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![BU of 5cr1 by Molmil](/molmil-images/mine/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
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![BU of 5akv by Molmil](/molmil-images/mine/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
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![BU of 5a6t by Molmil](/molmil-images/mine/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
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![BU of 5akt by Molmil](/molmil-images/mine/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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5AL0
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![BU of 5al0 by Molmil](/molmil-images/mine/5al0) | Transthyretin binding heterogeneity and anti-amyloidogenic activity of natural polyphenols and their metabolites: resveratrol-3-O-sulfate | Descriptor: | DIMETHYL SULFOXIDE, RESVERATROL-3-O-SULFATE, 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 (1.388 Å) | Cite: | Transthyretin Binding Heterogeneity and Anti-Amyloidogenic Activity of Natural Polyphenols and Their Metabolites J.Biol.Chem., 290, 2015
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