4YKH
| Thirty minutes iron loaded human H ferritin | Descriptor: | BICINE, CHLORIDE ION, FE (II) ION, ... | Authors: | Pozzi, C, Di Pisa, F, Mangani, S. | Deposit date: | 2015-03-04 | Release date: | 2015-09-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Iron binding to human heavy-chain ferritin. Acta Crystallogr.,Sect.D, 71, 2015
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5T7O
| Crystal structure of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase in complex with (6S)-5,6,7,8-TETRAHYDROFOLATE | Descriptor: | (6S)-5,6,7,8-TETRAHYDROFOLATE, 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, ... | Authors: | Di Pisa, F, Dello Iacono, L, Bonucci, A, Mangani, S. | Deposit date: | 2016-09-05 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase in complex with (6S)-5,6,7,8-TETRAHYDROFOLATE To Be Published
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5WCM
| Crystal structure of the complex between class B3 beta-lactamase BJP-1 and 4-nitrobenzene-sulfonamide - new refinement | Descriptor: | 4-nitrobenzenesulfonamide, Blr6230 protein, ZINC ION | Authors: | Docquier, J.D, Benvenuti, M, Calderone, V, Menciassi, N, Shabalin, I.G, Raczynska, J.E, Wlodawer, A, Jaskolski, M, Minor, W, Mangani, S. | Deposit date: | 2017-06-30 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | High-resolution crystal structure of the subclass B3 metallo-beta-lactamase BJP-1: rational basis for substrate specificity and interaction with sulfonamides. Antimicrob. Agents Chemother., 54, 2010
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4ZJK
| FIVE MINUTES IRON LOADED HUMAN H FERRITIN | Descriptor: | CHLORIDE ION, FE (II) ION, Ferritin heavy chain, ... | Authors: | Pozzi, C, Di Pisa, F, Mangani, S. | Deposit date: | 2015-04-29 | Release date: | 2015-09-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Iron binding to human heavy-chain ferritin. Acta Crystallogr.,Sect.D, 71, 2015
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4O1X
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4O1U
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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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6FM6
| Crystal structure of the class C beta-lactamase TRU-1 from Aeromonas enteropelogenes | Descriptor: | Beta-lactamase, SULFATE ION, TRIETHYLENE GLYCOL | Authors: | Pozzi, C, De Luca, F, Di Pisa, F, Benvenuti, M, Docquier, J.D, Mangani, S. | Deposit date: | 2018-01-30 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Atomic-Resolution Structure of a Class C beta-Lactamase and Its Complex with Avibactam. ChemMedChem, 13, 2018
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1UBP
| CRYSTAL STRUCTURE OF UREASE FROM BACILLUS PASTEURII INHIBITED WITH BETA-MERCAPTOETHANOL AT 1.65 ANGSTROMS RESOLUTION | Descriptor: | BETA-MERCAPTOETHANOL, NICKEL (II) ION, UREASE | Authors: | Benini, S, Rypniewski, W.R, Wilson, K.S, Ciurli, S, Mangani, S. | Deposit date: | 1998-01-21 | Release date: | 1999-03-02 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The complex of Bacillus pasteurii urease with beta-mercaptoethanol from X-ray data at 1.65-A resolution J.Biol.Inorg.Chem., 3, 1998
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5NJW
| Crystal Structure of BJP-1 metallo beta-lactamase in complex with boric acid | Descriptor: | 1,2-ETHANEDIOL, BORIC ACID, Blr6230 protein, ... | Authors: | Pozzi, C, Di Pisa, F, Benvenuti, M, Mangani, S. | Deposit date: | 2017-03-29 | Release date: | 2017-09-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Boric acid and acetate anion binding to subclass B3 metallo-Beta-lactamase BJP-1 provides clues for mechanism of action and inhibitor design Inorg.Chim.Acta., 2017
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5NGG
| Crystal structure of the subclass B3 metallo-beta-lactamase BJP-1 in complex with acetate anion | Descriptor: | ACETATE ION, Blr6230 protein, ZINC ION | Authors: | Pozzi, C, Di Pisa, F, Benvenuti, M, Mangani, S. | Deposit date: | 2017-03-17 | Release date: | 2017-09-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Boric acid and acetate anion binding to subclass B3 metallo-Beta-lactamase BJP-1 provides clues for mechanism of action and inhibitor design Inorg.Chim.Acta., 2017
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8A4M
| Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in complex with compound 8 (JMV-7061) | Descriptor: | (2~{S})-2-[bis(1~{H}-imidazol-4-ylmethyl)amino]-5-(3-phenyl-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl)pentanoic acid, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ... | Authors: | Tassone, G, Benvenuti, M, Verdirosa, F, Corsica, G, Sannio, F, Docquier, J.D, Pozzi, C, Mangani, S. | Deposit date: | 2022-06-13 | Release date: | 2023-04-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Optimization of 1,2,4-Triazole-3-thiones toward Broad-Spectrum Metallo-beta-lactamase Inhibitors Showing Potent Synergistic Activity on VIM- and NDM-1-Producing Clinical Isolates. J.Med.Chem., 65, 2022
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2B8J
| Crystal structure of AphA class B acid phosphatase/phosphotransferase ternary complex with adenosine and phosphate at 2 A resolution | Descriptor: | ADENOSINE, GOLD 3+ ION, GOLD ION, ... | Authors: | Calderone, V, Forleo, C, Benvenuti, M, Thaller, M.C, Rossolini, G.M, Mangani, S. | Deposit date: | 2005-10-07 | Release date: | 2005-11-29 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.033 Å) | Cite: | A structure-based proposal for the catalytic mechanism of the bacterial acid phosphatase AphA belonging to the DDDD superfamily of phosphohydrolases J.Mol.Biol., 355, 2006
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4YU9
| Crystal Structure of double mutant Y115E Y117E human Glutaminyl Cyclase | Descriptor: | 1,2-ETHANEDIOL, Glutaminyl-peptide cyclotransferase, SULFATE ION, ... | Authors: | Di Pisa, F, Pozzi, C, Benvenuti, M, Mangani, S. | Deposit date: | 2015-03-18 | Release date: | 2015-08-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The soluble Y115E-Y117E variant of human glutaminyl cyclase is a valid target for X-ray and NMR screening of inhibitors against Alzheimer disease. Acta Crystallogr.,Sect.F, 71, 2015
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3N5E
| Crystal Structure of human thymidylate synthase bound to a peptide inhibitor | Descriptor: | SULFATE ION, Synthetic peptide LR, 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 (2.26 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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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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5JCX
| Trypanosoma brucei PTR1 in complex with inhibitor NP-29 | Descriptor: | 3,5,7-trihydroxy-2-(2-hydroxyphenyl)-4H-1-benzopyran-4-one, ACETATE ION, GLYCEROL, ... | Authors: | Landi, G, Pozzi, C, Di Pisa, F, Dello Iacono, L, Mangani, S. | Deposit date: | 2016-04-15 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs. J.Med.Chem., 59, 2016
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5JDI
| Trypanosoma brucei PTR1 in complex with cofactor and inhibitor NMT-H024 (compound 2) | Descriptor: | 3,6-dihydroxy-2-(3-hydroxyphenyl)-4H-1-benzopyran-4-one, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Landi, G, Pozzi, C, Di Pisa, F, Dello lacono, L, Mangani, S. | Deposit date: | 2016-04-16 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs. J.Med.Chem., 59, 2016
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4YWY
| Crystal Structure of double mutant Y115E Y117E human Glutaminyl Cyclase in complex with inhibitor PBD-150 | Descriptor: | 1,2-ETHANEDIOL, 1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea, CHLORIDE ION, ... | Authors: | Di Pisa, F, Pozzi, C, Benvenuti, M, Mangani, S. | Deposit date: | 2015-03-21 | Release date: | 2015-08-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The soluble Y115E-Y117E variant of human glutaminyl cyclase is a valid target for X-ray and NMR screening of inhibitors against Alzheimer disease. Acta Crystallogr.,Sect.F, 71, 2015
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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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1Y93
| Crystal structure of the catalytic domain of human MMP12 complexed with acetohydroxamic acid at atomic resolution | Descriptor: | ACETOHYDROXAMIC ACID, CALCIUM ION, Macrophage metalloelastase, ... | Authors: | Bertini, I, Calderone, V, Cosenza, M, Fragai, M, Lee, Y.-M, Luchinat, C, Mangani, S, Terni, B, Turano, P. | Deposit date: | 2004-12-14 | Release date: | 2005-04-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Conformational variability of matrix metalloproteinases: Beyond a single 3D structure Proc.Natl.Acad.Sci.Usa, 102, 2005
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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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1AVN
| HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH THE HISTAMINE ACTIVATOR | Descriptor: | AZIDE ION, CARBONIC ANHYDRASE II, HISTAMINE, ... | Authors: | Briganti, F, Mangani, S, Orioli, P, Scozzafava, A, Vernaglione, G, Supuran, C.T. | Deposit date: | 1997-09-17 | Release date: | 1997-12-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Carbonic anhydrase activators: X-ray crystallographic and spectroscopic investigations for the interaction of isozymes I and II with histamine. Biochemistry, 36, 1997
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1BV3
| HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH UREA | Descriptor: | 4-(HYDROXYMERCURY)BENZOIC ACID, PROTEIN (CARBONIC ANHYDRASE II), UREA, ... | Authors: | Briganti, F, Mangani, S, Scozzafava, A, Vernaglione, G, Supuran, C.T. | Deposit date: | 1998-09-22 | Release date: | 1999-09-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Carbonic anhydrase catalyzes cyanamide hydration to urea: is it mimicking the physiological reaction? J.Biol.Inorg.Chem., 4, 1999
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1OSC
| Crystal structure of rat CUTA1 at 2.15 A resolution | Descriptor: | similar to divalent cation tolerant protein CUTA | Authors: | Arnesano, F, Banci, L, Benvenuti, M, Bertini, I, Calderone, V, Mangani, S, Viezzoli, M.S, Structural Proteomics in Europe (SPINE) | Deposit date: | 2003-03-19 | Release date: | 2003-11-25 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The Evolutionarily Conserved Trimeric Structure of CutA1 Proteins
Suggests a Role in Signal Transduction J.Biol.Chem., 278, 2003
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