3UWL
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![BU of 3uwl by Molmil](/molmil-images/mine/3uwl) | Crystal structure of Enteroccocus faecalis thymidylate synthase (EfTS) in complex with 5-formyl tetrahydrofolate | Descriptor: | 1,2-ETHANEDIOL, N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, SULFATE ION, ... | Authors: | Pozzi, C, Catalano, A, Cortesi, D, Luciani, R, Ferrari, S, Fritz, T, Costi, M.P, Mangani, S. | Deposit date: | 2011-12-02 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | The structure of Enterococcus faecalis thymidylate synthase provides clues about folate bacterial metabolism. Acta Crystallogr.,Sect.D, 68, 2012
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3N5G
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![BU of 3n5g by Molmil](/molmil-images/mine/3n5g) | Crystal Structure of histidine-tagged human thymidylate synthase | Descriptor: | SULFATE ION, Thymidylate synthase | Authors: | Pozzi, C, Cardinale, D, Guaitoli, G, Tondi, D, Luciani, R, Myllykallio, H, Ferrari, S, Costi, M.P, Mangani, S. | Deposit date: | 2010-05-25 | Release date: | 2011-06-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Protein-protein interface-binding peptides inhibit the cancer therapy target human thymidylate synthase. Proc.Natl.Acad.Sci.USA, 108, 2011
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5EOE
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![BU of 5eoe by Molmil](/molmil-images/mine/5eoe) | Crystal structure of extended-spectrum beta-lactamase BEL-1 (orthorhombic form) | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, Beta-lactamase, ... | Authors: | Pozzi, C, De Luca, F, Benvenuti, M, Docquier, J.D, Mangani, S. | Deposit date: | 2015-11-10 | Release date: | 2016-09-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structure of the Pseudomonas aeruginosa BEL-1 Extended-Spectrum beta-Lactamase and Its Complexes with Moxalactam and Imipenem. Antimicrob.Agents Chemother., 60, 2016
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5EOO
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![BU of 5eoo by Molmil](/molmil-images/mine/5eoo) | Crystal structure of extended-spectrum beta-lactamase BEL-1 (monoclinic form) | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Beta-lactamase, CHLORIDE ION, ... | Authors: | Pozzi, C, De Luca, F, Benvenuti, M, Docquier, J.D, Mangani, S. | Deposit date: | 2015-11-10 | Release date: | 2016-09-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Crystal Structure of the Pseudomonas aeruginosa BEL-1 Extended-Spectrum beta-Lactamase and Its Complexes with Moxalactam and Imipenem. Antimicrob.Agents Chemother., 60, 2016
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5EUA
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![BU of 5eua by Molmil](/molmil-images/mine/5eua) | Crystal structure of extended-spectrum beta-lactamase BEL-1 in complex with Moxalactam | Descriptor: | (2R)-2-[(1R)-1-{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3 -oxazine-4-carboxylic acid, Beta-lactamase, SODIUM ION | Authors: | Pozzi, C, De Luca, F, Benvenuti, M, Docquier, J.D, Mangani, S. | Deposit date: | 2015-11-18 | Release date: | 2016-09-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal Structure of the Pseudomonas aeruginosa BEL-1 Extended-Spectrum beta-Lactamase and Its Complexes with Moxalactam and Imipenem. Antimicrob.Agents Chemother., 60, 2016
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5EPH
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![BU of 5eph by Molmil](/molmil-images/mine/5eph) | Crystal structure of extended-spectrum beta-lactamase BEL-1 in complex with Imipenem | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Beta-lactamase, CHLORIDE ION, ... | Authors: | Pozzi, C, Benvenuti, M, De Luca, F, Docquier, J.D, Mangani, S. | Deposit date: | 2015-11-11 | Release date: | 2016-09-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Crystal Structure of the Pseudomonas aeruginosa BEL-1 Extended-Spectrum beta-Lactamase and Its Complexes with Moxalactam and Imipenem. Antimicrob.Agents Chemother., 60, 2016
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5J93
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![BU of 5j93 by Molmil](/molmil-images/mine/5j93) | Five minutes iron loaded Rana Catesbeiana H' ferritin variant E57A/E136A/D140A | Descriptor: | CHLORIDE ION, FE (II) ION, Ferritin, ... | Authors: | Pozzi, C, Di Pisa, F, Mangani, S, Bernacchioni, C, Turano, P. | Deposit date: | 2016-04-08 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Ferroxidase Activity in Eukaryotic Ferritin is Controlled by Accessory-Iron-Binding Sites in the Catalytic Cavity. Chemistry, 22, 2016
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5J8S
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![BU of 5j8s by Molmil](/molmil-images/mine/5j8s) | Iron-free state of Rana Catesbeiana H' ferritin variant E57A/E136A/D140A | Descriptor: | CHLORIDE ION, Ferritin, middle subunit, ... | Authors: | Pozzi, C, Di Pisa, F, Mangani, S, Bernacchioni, C, Turano, P. | Deposit date: | 2016-04-08 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Ferroxidase Activity in Eukaryotic Ferritin is Controlled by Accessory-Iron-Binding Sites in the Catalytic Cavity. Chemistry, 22, 2016
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5J9V
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![BU of 5j9v by Molmil](/molmil-images/mine/5j9v) | Ten minutes iron loaded Rana Catesbeiana H' ferritin variant E57A/E136A/D140A | Descriptor: | CHLORIDE ION, FE (II) ION, Ferritin, ... | Authors: | Pozzi, C, Di Pisa, F, Mangani, S, Bernacchioni, C, Turano, P. | Deposit date: | 2016-04-11 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Ferroxidase Activity in Eukaryotic Ferritin is Controlled by Accessory-Iron-Binding Sites in the Catalytic Cavity. Chemistry, 22, 2016
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5JAC
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![BU of 5jac by Molmil](/molmil-images/mine/5jac) | Sixty minutes iron loaded Rana Catesbeiana H' ferritin variant E57A/E136A/D140A | Descriptor: | CHLORIDE ION, FE (II) ION, Ferritin, ... | Authors: | Pozzi, C, Di Pisa, F, Mangani, S, Bernacchioni, C, Turano, P. | Deposit date: | 2016-04-12 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Ferroxidase Activity in Eukaryotic Ferritin is Controlled by Accessory-Iron-Binding Sites in the Catalytic Cavity. Chemistry, 22, 2016
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5J8W
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![BU of 5j8w by Molmil](/molmil-images/mine/5j8w) | One minute iron loaded Rana Catesbeiana H' ferritin variant E57A/E136A/D140A | Descriptor: | CHLORIDE ION, FE (II) ION, Ferritin, ... | Authors: | Pozzi, C, Di Pisa, F, Mangani, S, Bernacchioni, C, Turano, P. | Deposit date: | 2016-04-08 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | Ferroxidase Activity in Eukaryotic Ferritin is Controlled by Accessory-Iron-Binding Sites in the Catalytic Cavity. Chemistry, 22, 2016
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4KPW
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![BU of 4kpw by Molmil](/molmil-images/mine/4kpw) | |
4P18
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![BU of 4p18 by Molmil](/molmil-images/mine/4p18) | Crystal Structure of frog M ferritin mutant D80K | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Pozzi, C, Di Pisa, F, Mangani, S, Bernacchioni, C, Ghini, V, Turano, P. | Deposit date: | 2014-02-25 | Release date: | 2014-10-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Loop electrostatics modulates the intersubunit interactions in ferritin. Acs Chem.Biol., 9, 2014
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4OYN
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![BU of 4oyn by Molmil](/molmil-images/mine/4oyn) | Fifteen minutes iron loaded human H ferritin | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BICINE, CHLORIDE ION, ... | Authors: | Pozzi, C, Di Pisa, F, Mangani, S. | Deposit date: | 2014-02-12 | Release date: | 2015-09-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Iron binding to human heavy-chain ferritin. Acta Crystallogr.,Sect.D, 71, 2015
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6QXH
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![BU of 6qxh by Molmil](/molmil-images/mine/6qxh) | |
6QXG
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![BU of 6qxg by Molmil](/molmil-images/mine/6qxg) | |
6QXS
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![BU of 6qxs by Molmil](/molmil-images/mine/6qxs) | Crystal structure of Enteroccocus faecalis thymidylate synthase (EfTS) in complex with FdUMP | Descriptor: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, SULFATE ION, ... | Authors: | Pozzi, C, Mangani, M. | Deposit date: | 2019-03-07 | Release date: | 2019-04-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Structural Comparison ofEnterococcus faecalisand Human Thymidylate Synthase Complexes with the Substrate dUMP and Its Analogue FdUMP Provides Hints about Enzyme Conformational Variabilities. Molecules, 24, 2019
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6ZXO
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![BU of 6zxo by Molmil](/molmil-images/mine/6zxo) | |
6QYQ
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![BU of 6qyq by Molmil](/molmil-images/mine/6qyq) | Crystal structure of human thymidylate synthase (hTS) variant R175C | Descriptor: | CHLORIDE ION, N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, SULFATE ION, ... | Authors: | Pozzi, C, Mangani, M. | Deposit date: | 2019-03-09 | Release date: | 2019-04-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural and Functional Characterization of the Human Thymidylate Synthase (hTS) Interface Variant R175C, New Perspectives for the Development of hTS Inhibitors. Molecules, 24, 2019
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6QYA
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![BU of 6qya by Molmil](/molmil-images/mine/6qya) | |
6R2E
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![BU of 6r2e by Molmil](/molmil-images/mine/6r2e) | Crystal structure of the human thymidylate synthase (hTS) interface variant Q62R | Descriptor: | CHLORIDE ION, GLYCEROL, N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, ... | Authors: | Pozzi, C, Mangani, M. | Deposit date: | 2019-03-16 | Release date: | 2019-04-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Evidence of Destabilization of the Human Thymidylate Synthase (hTS) Dimeric Structure Induced by the Interface Mutation Q62R. Biomolecules, 9, 2019
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5IZC
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![BU of 5izc by Molmil](/molmil-images/mine/5izc) | Trypanosoma brucei PTR1 in complex with inhibitor F032 | Descriptor: | ACETATE ION, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Pozzi, C, Landi, G, Di Pisa, F, Mangani, S. | Deposit date: | 2016-03-25 | Release date: | 2017-04-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery. ACS Omega, 2, 2017
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4O1X
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![BU of 4o1x by Molmil](/molmil-images/mine/4o1x) | |
6TS1
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![BU of 6ts1 by Molmil](/molmil-images/mine/6ts1) | Crystal structure of human L ferritin (HuLf) triple variant E60A-E61A-E64A Fe(III)-loaded for 60 minutes | Descriptor: | CADMIUM ION, FE (III) ION, Ferritin light chain, ... | Authors: | Pozzi, C, Ciambellotti, S, Turano, P, Mangani, S. | Deposit date: | 2019-12-19 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Iron Biomineral Growth from the Initial Nucleation Seed in L-Ferritin. Chemistry, 26, 2020
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6TSS
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![BU of 6tss by Molmil](/molmil-images/mine/6tss) | Crystal structure of horse L ferritin (HoLf) Fe(III)-loaded for 60 minutes | Descriptor: | CADMIUM ION, FE (III) ION, Ferritin light chain, ... | Authors: | Pozzi, C, Ciambellotti, S, Turano, P, Mangani, S. | Deposit date: | 2019-12-21 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Iron Biomineral Growth from the Initial Nucleation Seed in L-Ferritin. Chemistry, 26, 2020
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