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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1MFM
| MONOMERIC HUMAN SOD MUTANT F50E/G51E/E133Q AT ATOMIC RESOLUTION | Descriptor: | CADMIUM ION, CHLORIDE ION, COPPER (II) ION, ... | Authors: | Ferraroni, M, Rypniewski, W, Wilson, K.S, Orioli, P.L, Viezzoli, M.S, Banci, L, Bertini, I, Mangani, S. | Deposit date: | 1999-04-16 | Release date: | 1999-04-21 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | The crystal structure of the monomeric human SOD mutant F50E/G51E/E133Q at atomic resolution. The enzyme mechanism revisited. J.Mol.Biol., 288, 1999
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1NAQ
| Crystal structure of CUTA1 from E.coli at 1.7 A resolution | Descriptor: | MERCURIBENZOIC ACID, MERCURY (II) ION, Periplasmic divalent cation tolerance protein cutA | Authors: | Calderone, V, Mangani, S, Benvenuti, M, Viezzoli, M.S, Banci, L, Bertini, I, Structural Proteomics in Europe (SPINE) | Deposit date: | 2002-11-28 | Release date: | 2003-11-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 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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2AEO
| Crystal structure of cisplatinated bovine Cu,Zn superoxide dismutase | Descriptor: | COPPER (II) ION, Cisplatin, Superoxide dismutase [Cu-Zn], ... | Authors: | Calderone, V, Casini, A, Mangani, S, Messori, L, Orioli, P.L. | Deposit date: | 2005-07-23 | Release date: | 2006-05-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural investigation of cisplatin-protein interactions: selective platination of His19 in a cuprozinc superoxide dismutase. Angew. Chem. Int. Ed. Engl., 45, 2006
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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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5JCJ
| Trypanosoma brucei PTR1 in complex with inhibitor NMT-H037 (compound 7) | Descriptor: | 2-(3,4-dihydroxyphenyl)-3,6-dihydroxy-4H-1-benzopyran-4-one, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 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 (1.76 Å) | Cite: | Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs. J.Med.Chem., 59, 2016
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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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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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3IF6
| Crystal structure of OXA-46 beta-lactamase from P. aeruginosa | Descriptor: | 1,2-ETHANEDIOL, HEXAETHYLENE GLYCOL, L(+)-TARTARIC ACID, ... | Authors: | Docquier, J.D, Benvenuti, M, Calderone, V, Giuliani, F, Kapetis, D, De Luca, F, Rossolini, G.M, Mangani, S. | Deposit date: | 2009-07-24 | Release date: | 2010-03-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the narrow-spectrum OXA-46 class D beta-lactamase: relationship between active-site lysine carbamylation and inhibition by polycarboxylates Antimicrob.Agents Chemother., 54, 2010
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3LVZ
| New refinement of the crystal structure of BJP-1, a subclass B3 metallo-beta-lactamase of Bradyrhizobium japonicum | Descriptor: | Blr6230 protein, ZINC ION | Authors: | Docquier, J.D, Benvenuti, M, Calderone, V, Stoczko, M, Rossolini, G.M, Mangani, S. | Deposit date: | 2010-02-23 | Release date: | 2011-01-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.4 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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2HEG
| Phospho-Aspartyl Intermediate Analogue of Apha class B acid phosphatase/phosphotransferase | Descriptor: | Class B acid phosphatase, MAGNESIUM ION | Authors: | Leone, R, Calderone, V, Cappelletti, E, Benvenuti, M, Mangani, S. | Deposit date: | 2006-06-21 | Release date: | 2008-03-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: |
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2HF7
| Transition State Analogue of AphA class B Acid Phosphatase/Phosphotransferase (Aluminium Fluoride Complex) | Descriptor: | ALUMINUM FLUORIDE, Class B acid phosphatase, MAGNESIUM ION | Authors: | Leone, R, Calderone, V, Cappelletti, E, Benvenuti, M, Mangani, S. | Deposit date: | 2006-06-23 | Release date: | 2008-03-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: |
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1RMT
| Crystal structure of AphA class B acid phosphatase/phosphotransferase complexed with adenosine. | Descriptor: | ADENOSINE, Class B acid phosphatase, MAGNESIUM ION | Authors: | Calderone, V, Forleo, C, Benvenuti, M, Rossolini, G.M, Thaller, M.C, Mangani, S. | Deposit date: | 2003-11-28 | Release date: | 2004-12-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Insights in the catalytic mechanism of AphA from Escherichia coli To be Published
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1RMQ
| Crystal structure of AphA class B acid phosphatase/phosphotransferase with osmiate mimicking the catalytic intermediate | Descriptor: | COBALT (II) ION, Class B acid phosphatase, OSMIUM ION | Authors: | Calderone, V, Forleo, C, Benvenuti, M, Rossolini, G.M, Thaller, M.C, Mangani, S. | Deposit date: | 2003-11-28 | Release date: | 2004-12-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Insights in the catalytic mechanism of AphA from Escherichia coli To be Published
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1RMY
| Crystal structure of AphA class B acid phosphatase/phosphotransferase ternary complex with deoxycytosine and phosphate bound to the catalytic metal | Descriptor: | 2'-DEOXYCYTIDINE, Class B acid phosphatase, MAGNESIUM ION, ... | Authors: | Calderone, V, Forleo, C, Benvenuti, M, Rossolini, G.M, Thaller, M.C, Mangani, S. | Deposit date: | 2003-11-28 | Release date: | 2004-12-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Insights in the catalytic mechanism of AphA from Escherichia coli To be Published
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2GGT
| Crystal structure of human SCO1 complexed with nickel. | Descriptor: | CHLORIDE ION, NICKEL (II) ION, SCO1 protein homolog, ... | Authors: | Banci, L, Bertini, I, Calderone, V, Ciofi-Baffoni, S, Mangani, S, Martinelli, M, Palumaa, P, Wang, S. | Deposit date: | 2006-03-24 | Release date: | 2006-05-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A hint for the function of human Sco1 from different structures. Proc.Natl.Acad.Sci.Usa, 103, 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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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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5K6A
| Trypanosoma brucei Pteridine reductase 1 (PTR1) in complex with compound 1 | Descriptor: | (2~{R})-2-(3-hydroxyphenyl)-6-oxidanyl-2,3-dihydrochromen-4-one, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Landi, G, Pozzi, C, Di Pisa, F, Dello lacono, L, Mangani, S. | Deposit date: | 2016-05-24 | Release date: | 2017-03-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Chroman-4-One Derivatives Targeting Pteridine Reductase 1 and Showing Anti-Parasitic Activity. Molecules, 22, 2017
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7O6A
| Crystal structure of human mitochondrial ferritin (hMTF) Fe(II)-loaded for 5 minutes under anaerobic environment | Descriptor: | CHLORIDE ION, FE (II) ION, Ferritin, ... | Authors: | Pozzi, C, Ciambellotti, S, Tassone, G, Turano, P, Mangani, S. | Deposit date: | 2021-04-09 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Iron Binding in the Ferroxidase Site of Human Mitochondrial Ferritin. Chemistry, 27, 2021
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7O64
| Crystal structure of human mitochondrial ferritin (hMTF) Fe(II)-loaded for 1 minute. | Descriptor: | CHLORIDE ION, FE (II) ION, Ferritin, ... | Authors: | Pozzi, C, Ciambellotti, S, Tassone, G, Turano, P, Mangani, S. | Deposit date: | 2021-04-09 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Iron Binding in the Ferroxidase Site of Human Mitochondrial Ferritin. Chemistry, 27, 2021
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7O66
| Crystal structure of human mitochondrial ferritin (hMTF) Fe(II)-loaded for 60 minutes showing either a dioxygen or a superoxide anion coordinated to iron ions in the ferroxidase site | Descriptor: | CHLORIDE ION, FE (II) ION, Ferritin, ... | Authors: | Pozzi, C, Ciambellotti, S, Tassone, G, Turano, P, Mangani, S. | Deposit date: | 2021-04-09 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Iron Binding in the Ferroxidase Site of Human Mitochondrial Ferritin. Chemistry, 27, 2021
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7O68
| Crystal structure of human mitochondrial ferritin (hMTF) Fe(II)-loaded for 120 minutes showing either a dioxygen or a superoxide anion coordinated to iron ions in the ferroxidase site. | Descriptor: | CHLORIDE ION, FE (II) ION, Ferritin, ... | Authors: | Pozzi, C, Ciambellotti, S, Tassone, G, Turano, P, Mangani, S. | Deposit date: | 2021-04-09 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Iron Binding in the Ferroxidase Site of Human Mitochondrial Ferritin. Chemistry, 27, 2021
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