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
| 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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1XTL
| Crystal structure of P104H mutant of SOD-like protein from Bacillus subtilis. | Descriptor: | COPPER (II) ION, Hypothetical superoxide dismutase-like protein yojM, ZINC ION | Authors: | Calderone, V, Mangani, S, Banci, L, Benvenuti, M, Bertini, I, Viezzoli, M.S, Fantoni, A. | Deposit date: | 2004-10-22 | Release date: | 2005-10-04 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | From an Inactive Prokaryotic SOD Homologue to an Active Protein through Site-Directed Mutagenesis. J.Am.Chem.Soc., 127, 2005
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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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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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1XTM
| Crystal structure of the double mutant Y88H-P104H of a SOD-like protein from Bacillus subtilis. | Descriptor: | COPPER (II) ION, Hypothetical superoxide dismutase-like protein yojM, ZINC ION | Authors: | Calderone, V, Mangani, S, Banci, L, Benvenuti, M, Bertini, I, Fantoni, A, Viezzoli, M.S. | Deposit date: | 2004-10-22 | Release date: | 2005-10-04 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | From an Inactive Prokaryotic SOD Homologue to an Active Protein through Site-Directed Mutagenesis. J.Am.Chem.Soc., 127, 2005
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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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2G1A
| Crystal structure of the complex between Apha class B acid phosphatase/phosphotransferase | Descriptor: | Class B acid phosphatase, MAGNESIUM ION, {[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACID | Authors: | Leone, R, Calderone, V, Cappelletti, E, Benvenuti, M, Mangani, S. | Deposit date: | 2006-02-14 | Release date: | 2007-04-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the complex between Apha class B acid phosphatase/phosphotransferase To be published
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4Y08
| ONE MINUTE IRON LOADED HUMAN H FERRITIN | Descriptor: | CHLORIDE ION, FE (II) ION, Ferritin heavy chain, ... | Authors: | Pozzi, C, Di Pisa, F, Mangani, S. | Deposit date: | 2015-02-05 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Iron binding to human heavy-chain ferritin. Acta Crystallogr.,Sect.D, 71, 2015
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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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3IK1
| Lactobacillus casei Thymidylate Synthase in Ternary Complex with dUMP and the Phtalimidic Derivative 20C | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-hydroxy-4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid, Thymidylate synthase | Authors: | Pozzi, C, Cancian, L, Leone, R, Luciani, R, Ferrari, S, Mangani, S, Costi, M.P. | Deposit date: | 2009-08-05 | Release date: | 2010-08-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening J.Med.Chem., 54, 2011
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3IJZ
| Lactobacillus casei Thymidylate Synthase ternary complex with dUMP and Pthalimidic derivative 15C | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-(4-acetylphenyl)-4-methyl-1H-isoindole-1,3(2H)-dione, Thymidylate synthase | Authors: | Pozzi, C, Cancian, L, Leone, R, Luciani, R, Ferrari, S, Mangani, S, Costi, M.P. | Deposit date: | 2009-08-05 | Release date: | 2010-08-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening J.Med.Chem., 54, 2011
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3IK0
| Lactobacillus casei Thymidylate Synthase in Ternary Complex with dUMP and the Phtalimidic Derivative 7C1 | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzenecarboximidamide, Thymidylate synthase | Authors: | Pozzi, C, Cancian, L, Leone, R, Luciani, R, Ferrari, S, Mangani, S, Costi, M.P. | Deposit date: | 2009-08-05 | Release date: | 2010-08-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening J.Med.Chem., 54, 2011
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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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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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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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2B82
| Crystal structure of AphA class B acid phosphatase/phosphotransferase ternary complex with adenosine and phosphate bound to the catalytic metal at 1.2 A resolution | Descriptor: | ADENOSINE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Calderone, V, Forleo, C, Benvenuti, M, Thaller, M.C, Rossolini, G.M, Mangani, S. | Deposit date: | 2005-10-06 | Release date: | 2005-11-29 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.25 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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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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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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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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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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1N9K
| Crystal structure of the bromide adduct of AphA class B acid phosphatase/phosphotransferase from E. coli at 2.2 A resolution | Descriptor: | BROMIDE ION, Class B acid phosphatase, MAGNESIUM ION | Authors: | Calderone, V, Forleo, C, Benvenuti, M, Rossolini, G.M, Thaller, M.C, Mangani, S. | Deposit date: | 2002-11-25 | Release date: | 2004-02-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The first structure of a bacterial class B Acid phosphatase reveals further structural heterogeneity among phosphatases of the haloacid dehalogenase fold. J.Mol.Biol., 335, 2004
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1N8N
| Crystal structure of the Au3+ complex of AphA class B acid phosphatase/phosphotransferase from E. coli at 1.69 A resolution | Descriptor: | Class B acid phosphatase, GOLD 3+ ION | Authors: | Calderone, V, Forleo, C, Benvenuti, M, Rossolini, G.M, Thaller, M.C, Mangani, S. | Deposit date: | 2002-11-21 | Release date: | 2004-02-03 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | The first structure of a bacterial class B Acid phosphatase reveals further structural heterogeneity among phosphatases of the haloacid dehalogenase fold. J.Mol.Biol., 335, 2004
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6ZGM
| Crystal Structure of the VIM-2 Acquired Metallo-beta-Lactamase in Complex with the thiazolecarboxylate inhibitor ANT2681 | Descriptor: | 5-[[4-(carbamimidamidocarbamoylamino)-3,5-bis(fluoranyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ... | Authors: | Docquier, J.D, Pozzi, C, Marcoccia, F, De Luca, F, Benvenuti, M, Mangani, S. | Deposit date: | 2020-06-19 | Release date: | 2020-09-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | ANT2681: SAR Studies Leading to the Identification of a Metallo-beta-lactamase Inhibitor with Potential for Clinical Use in Combination with Meropenem for the Treatment of Infections Caused by NDM-ProducingEnterobacteriaceae. Acs Infect Dis., 6, 2020
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6ZXO
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