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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
4DAS
 | | Crystal structure of Bullfrog M ferritin | | Descriptor: | 1,2-ETHANEDIOL, Ferritin, middle subunit, ... | | Authors: | Bertini, I, Lalli, D, Mangani, S, Pozzi, C, Rosa, C, Turano, P. | | Deposit date: | 2012-01-13 | | Release date: | 2013-01-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Structural insights into the ferroxidase site of ferritins from higher eukaryotes.
J.Am.Chem.Soc., 134, 2012
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
6ZXI
 | | Crystal Structure of the OXA-48 Carbapenem-Hydrolyzing Class D beta-Lactamase in Complex with the DBO inhibitor ANT3310 | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CARBON DIOXIDE, ... | | Authors: | Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S. | | Deposit date: | 2020-07-29 | | Release date: | 2021-08-11 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery of ANT3310 , a Novel Broad-Spectrum Serine beta-Lactamase Inhibitor of the Diazabicyclooctane Class, Which Strongly Potentiates Meropenem Activity against Carbapenem-Resistant Enterobacterales and Acinetobacter baumannii.
J.Med.Chem., 63, 2020
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
