All Stories

  1. Crystal Structure of thePseudomonas aeruginosaBEL-1 Extended-Spectrum β-Lactamase and its Complex with Moxalactam and Imipenem

    Article • Antimicrobial Agents and Chemotherapy, September 2016, ASM Journals

    Professor Stefano Mangani

  2. Structure-Function Relationships of Class D Carbapenemases

    Article • Current Drug Targets, May 2016, Bentham Science Publishers

    Professor Stefano Mangani

  3. Iron binding to human heavy-chain ferritin

    Article • Acta Crystallographica Section D Biological Crystallography, August 2015, International Union of Crystallography

    Professor Stefano Mangani

  4. The soluble Y115E–Y117E variant of human glutaminyl cyclase is a valid target for X-ray and NMR screening of inhibitors against Alzheimer disease

    Article • Acta Crystallographica Section F Structural Biology Communications, July 2015, International Union of Crystallography

    Professor Stefano Mangani

  5. Hotspots in an Obligate Homodimeric Anticancer Target. Structural and Functional Effects of Interfacial Mutations in Human Thymidylate Synthase

    Article • Journal of Medicinal Chemistry, April 2015, American Chemical Society (ACS)

    Professor Stefano Mangani

  6. Time-lapse anomalous X-ray diffraction shows how Fe2+substrate ions move through ferritin protein nanocages to oxidoreductase sites

    Article • Acta Crystallographica Section D Biological Crystallography, March 2015, International Union of Crystallography

    Professor Stefano Mangani

  7. Molecular Basis of Selective Inhibition and Slow Reversibility of Avibactam against Class D Carbapenemases: A Structure-Guided Study of OXA-24 and OXA-48

    Article • ACS Chemical Biology, February 2015, American Chemical Society (ACS)

    Professor Stefano Mangani

  8. Crystal structure of human thymidylate synthase double mutant C195S-Y202C

    Article • January 2015, Protein Data Bank, Rutgers University

    Professor Stefano Mangani

  9. Crystal structure of human thymidylate synthase mutant Y202C

    Article • January 2015, Protein Data Bank, Rutgers University

    Professor Stefano Mangani

  10. Differences in the Binding of Copper(I) to α- and β-Synuclein

    Article • Inorganic Chemistry, January 2015, American Chemical Society (ACS)

    Professor Stefano Mangani

  11. OXA-48 covalent complex with Avibactam inhibitor

    Article • December 2014, Protein Data Bank, Rutgers University

    Professor Stefano Mangani

  12. Acinetobacter baumanii OXA-24 complex with Avibactam

    Article • December 2014, Protein Data Bank, Rutgers University

    Professor Stefano Mangani

  13. Crystal structure of His-tagged human thymidylate synthase R175A mutant

    Article • May 2014, Protein Data Bank, Rutgers University

    Professor Stefano Mangani

  14. 2′-Deoxyuridine 5′-Monophosphate Substrate Displacement in Thymidylate Synthase through 6-Hydroxy-2 H -naphtho[1,8- bc ]furan-2-one Derivatives

    Article • Journal of Medicinal Chemistry, November 2013, American Chemical Society (ACS)

    Professor Stefano Mangani

  15. Disruption of Protein-Protein Interfaces

    Article • January 2013, Springer Science + Business Media

    Professor Stefano Mangani

  16. Protein–Protein Interactions in the Solid State: The Troubles of Crystallizing Protein–Protein Complexes

    Article • January 2013, Springer Science + Business Media

    Professor Stefano Mangani

  17. Corrigendum to “X-ray, NMR and molecular dynamics studies on reduced bovine superoxide dismutase: Implications for the mechanism” [Biochem. Biophys. Res. Commun. 202 (1994) 1088–1095]

    Article • Biochemical and Biophysical Research Communications, October 2012, Elsevier

    Professor Claudio Luchinat, Professor Stefano Mangani

  18. Copper(I)-alkyl sulfide and -cysteine tri-nuclear clusters as models for metallo proteins: a structural density functional analysis

    Article • Journal of Biomolecular Structure and Dynamics, October 2012, Taylor & Francis

    Professor Stefano Mangani

  19. The structure ofEnterococcus faecalisthymidylate synthase provides clues about folate bacterial metabolism

    Article • Acta Crystallographica Section D Biological Crystallography, August 2012, International Union of Crystallography

    Professor Stefano Mangani

  20. Structural Insights into the Ferroxidase Site of Ferritins from Higher Eukaryotes

    Article • Journal of the American Chemical Society, April 2012, American Chemical Society (ACS)

    Professor Stefano Mangani

  21. Identification of the Binding Modes of N -Phenylphthalimides Inhibiting Bacterial Thymidylate Synthase through X-Ray Crystallography Screening

    Article • Journal of Medicinal Chemistry, August 2011, American Chemical Society (ACS)

    Professor Stefano Mangani

  22. Structure of the extended-spectrum β-lactamase TEM-72 inhibited by citrate

    Article • Acta Crystallographica Section F Structural Biology and Crystallization Communications, February 2011, International Union of Crystallography

    Professor Stefano Mangani

  23. Fragmenting the S100B-p53 Interaction: Combined Virtual/Biophysical Screening Approaches to Identify Ligands

    Article • ChemMedChem, February 2010, Wiley

    Professor Stefano Mangani, Prof Mariangela Agamennone

  24. Fragment-based discovery of S100B inhibitors combining computational and biophysical approaches

    Article • Acta Crystallographica Section A Foundations of Crystallography, August 2009, International Union of Crystallography

    Professor Stefano Mangani

  25. Crystal Structure of the OXA-48 β-Lactamase Reveals Mechanistic Diversity among Class D Carbapenemases

    Article • Chemistry & Biology, May 2009, Elsevier

    Professor Stefano Mangani

  26. Structural Insights into the Catalytic Mechanism of the Bacterial Class B Phosphatase AphA Belonging to the DDDD Superfamily of Phosphohydrolases

    Article • Journal of Molecular Biology, December 2008, Elsevier

    Professor Stefano Mangani

  27. Characterization of the metallocenter of rabbit skeletal muscle AMP deaminase. A new model for substrate interactions at a dinuclear cocatalytic Zn site

    Article • Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics, December 2007, Elsevier

    Professor Stefano Mangani

  28. Crystallization of soluble proteins in vapor diffusion for x-ray crystallography

    Article • Nature Protocols, June 2007, Springer Science + Business Media

    Professor Stefano Mangani

  29. Characterization of the metallocenter of rabbit skeletal muscle AMP deaminase. Evidence for a dinuclear zinc site

    Article • Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics, February 2007, Elsevier

    Professor Stefano Mangani

  30. The Nickel Site of Bacillus pasteurii UreE, a Urease Metallo-Chaperone, As Revealed by Metal-Binding Studies and X-ray Absorption Spectroscopy †

    Article • Biochemistry, May 2006, American Chemical Society (ACS)

    Professor Stefano Mangani, Professor Stefano Ciurli

  31. Structural Investigation of Cisplatin–Protein Interactions: Selective Platination of His19 in a Cuprozinc Superoxide Dismutase

    Article • Angewandte Chemie, February 2006, Wiley

    Professor Stefano Mangani

  32. Structural Investigation of Cisplatin–Protein Interactions: Selective Platination of His19 in a Cuprozinc Superoxide Dismutase

    Article • Angewandte Chemie, February 2006, Wiley

    Professor Stefano Mangani

  33. A Structure-based Proposal for the Catalytic Mechanism of the Bacterial Acid Phosphatase AphA belonging to the DDDD Superfamily of Phosphohydrolases

    Article • Journal of Molecular Biology, January 2006, Elsevier

    Professor Stefano Mangani

  34. Biochemical characterization of the class B acid phosphatase (AphA) of Escherichia coli MG1655

    Article • Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics, January 2006, Elsevier

    Professor Stefano Mangani

  35. From an Inactive Prokaryotic SOD Homologue to an Active Protein through Site-Directed Mutagenesis

    Article • Journal of the American Chemical Society, September 2005, American Chemical Society (ACS)

    Professor Stefano Mangani

  36. Identification of Copper(II) Binding Sites in the Aminoglycosidic Antibiotic Neomycin B

    Article • European Journal of Inorganic Chemistry, August 2005, Wiley

    Professor Stefano Mangani

  37. Integration of XAS and NMR techniques for the structure determination of metalloproteins. Examples from the study of copper transport proteins

    Article • Journal of Synchrotron Radiation, December 2004, International Union of Crystallography

    Professor Stefano Mangani

  38. Molecular Details of Urease Inhibition by Boric Acid:  Insights into the Catalytic Mechanism

    Article • Journal of the American Chemical Society, March 2004, American Chemical Society (ACS)

    Professor Stefano Mangani, Professor Stefano Ciurli, Stefano Benini

  39. The First Structure of a Bacterial Class B Acid Phosphatase Reveals Further Structural Heterogeneity Among Phosphatases of the Haloacid Dehalogenase Fold

    Article • Journal of Molecular Biology, January 2004, Elsevier

    Professor Stefano Mangani

  40. Crystal structure of AphA class B acid phosphatase/phosphotransferase from E. coli

    Article • Journal of Inorganic Biochemistry, July 2003, Elsevier

    Professor Stefano Mangani

  41. Influence of Outer-Shell Metal Ligands on the Structural and Electronic Properties of Horse Liver Alcohol Dehydrogenase Zinc Active Site

    Article • The Journal of Physical Chemistry B, July 2003, American Chemical Society (ACS)

    Professor Stefano Mangani

  42. X-ray Structures of Binary and Ternary Enzyme-Product-Inhibitor Complexes of Matrix Metalloproteinases

    Article • Angewandte Chemie, June 2003, Wiley

    Professor Claudio Luchinat, Professor Stefano Mangani

  43. Expression, purification, crystallization and preliminary X-ray characterization of the class B acid phosphatase (AphA) fromEscherichia coli

    Article • Acta Crystallographica Section D Biological Crystallography, May 2003, International Union of Crystallography

    Professor Stefano Mangani

  44. X-Ray Absorption and NMR Spectroscopic Studies of CopZ, a Copper Chaperone in Bacillus subtilis :  The Coordination Properties of the Copper Ion †

    Article • Biochemistry, March 2003, American Chemical Society (ACS)

    Professor Stefano Mangani

  45. XAS of dilute biological samples

    Article • Journal of Synchrotron Radiation, December 2002, International Union of Crystallography

    Professor Stefano Mangani

  46. 4-Chlorocatechol 1,2-dioxygenase from the chlorophenol-utilizing Gram-positiveRhodococcus opacus1CP: crystallization and preliminary crystallographic analysis

    Article • Acta Crystallographica Section D Biological Crystallography, May 2002, International Union of Crystallography

    Professor Stefano Mangani

  47. Molecular Mechanism of Hydrogen Peroxide Conversion and Activation by Cu(II)-Amikacin Complexes

    Article • Chemical Research in Toxicology, October 2001, American Chemical Society (ACS)

    Professor Stefano Mangani

  48. Mechanism of Cyanamide Hydration Catalyzed by Carbonic Anhydrase II Suggested by Cryogenic X-ray Diffraction †

    Article • Biochemistry, October 2000, American Chemical Society (ACS)

    Professor Stefano Mangani

  49. The solution structure of a monomeric, reduced form of human copper,zinc superoxide dismutase bearing the same charge as the native protein

    Article • JBIC Journal of Biological Inorganic Chemistry, December 1999, Springer Science + Business Media

    Professor Stefano Mangani

  50. Carbonic anhydrase catalyzes cyanamide hydration to urea: is it mimicking the physiological reaction?

    Article • JBIC Journal of Biological Inorganic Chemistry, October 1999, Springer Science + Business Media

    Professor Stefano Mangani

  51. Crystallization and preliminary crystallographic analysis of the hydroxyquinol 1,2-dioxygenase from Nocardioides simplex 3E: a novel dioxygenase involved in the biodegradation of polychlorinated aromatic compounds

    Article • Acta Crystallographica Section D Biological Crystallography, April 1999, International Union of Crystallography

    Professor Stefano Mangani

  52. A new proposal for urease mechanism based on the crystal structures of the native and inhibited enzyme from Bacillus pasteurii: why urea hydrolysis costs two nickels

    Article • Structure, February 1999, Elsevier

    Professor Stefano Mangani, Professor Stefano Ciurli, Stefano Benini

  53. XAS characterization of the active sites of novel intradiol ring-cleaving dioxygenases: hydroxyquinol and chlorocatechol dioxygenases

    Article • FEBS Letters, August 1998, Wiley

    Professor Stefano Mangani

  54. Dynamic properties of bovine Cu,Zn superoxide dismutase from crystallographic data

    Article • Inorganica Chimica Acta, July 1998, Elsevier

    Professor Stefano Mangani

  55. A ternary complex of carbonic anhydrase: X-ray crystallographic structure of the adduct of human carbonic anhydrase II with the activator phenylalanine and the inhibitor azide

    Article • Inorganica Chimica Acta, July 1998, Elsevier

    Professor Stefano Mangani

  56. Carbonic Anhydrase Activators:  X-ray Crystallographic and Spectroscopic Investigations for the Interaction of Isozymes I and II with Histamine † , ‡

    Article • Biochemistry, August 1997, American Chemical Society (ACS)

    Professor Stefano Mangani

  57. Molecular Dynamics Simulations on the Complexes of Glucoamylase II (471) from Aspergillus awamori var. X100 with 1-Deoxynojirimycin and Lentiginosine

    Article • Journal of Molecular Modeling, July 1997, Springer Science + Business Media

    Professor Stefano Mangani

  58. X-ray Absorption Spectroscopy Study of Native and Phenylphosphorodiamidate-Inhibited Bacillus pasteurii Urease

    Article • European Journal of Biochemistry, July 1996, Wiley

    Professor Stefano Mangani, Professor Stefano Ciurli, Stefano Benini

  59. Crystal Structure of Reduced Bovine Erythrocyte Superoxide Dismutase at 1.9 Å Resolution

    Article • Journal of Molecular Biology, August 1995, Elsevier

    Professor Stefano Mangani

  60. Carbonic Anhydrase: An Example of How the Cavity Governs the Reactivity at the Zinc Ion

    Article • Comments on Inorganic Chemistry, February 1995, Taylor & Francis

    Professor Claudio Luchinat, Professor Stefano Mangani

  61. X-ray Absorption Studies on Catechol 2,3-Dioxygenase from Pseudomonas putida MT2

    Article • Biochemistry, September 1994, American Chemical Society (ACS)

    Professor Stefano Mangani

  62. Substrate, substrate analogue, and inhibitor interactions with the ferrous active site of catechol 2,3-dioxygenase monitored through XAS studies

    Article • FEBS Letters, August 1994, Wiley

    Professor Stefano Mangani

  63. EXAFS studies of Fe(III)-phosvitin at high metal to protein ratios

    Article • BioMetals, April 1994, Springer Science + Business Media

    Dr Andrea Messori, Professor Stefano Mangani

  64. EXAFS investigation on nickel substituted Cu,Zn bovine superoxide dismutase

    Article • Inorganica Chimica Acta, February 1994, Elsevier

    Professor Stefano Mangani

  65. Crystal Structure of the Complex between Human Carbonic Anhydrase II and the Aromatic Inhibitor 1,2,4-Triazole

    Article • Journal of Molecular Biology, July 1993, Elsevier

    Professor Stefano Mangani

  66. EXAFS studies on the catechol 2,3 dioxygenase from Pseudomonas putida MT2

    Article • Journal of Inorganic Biochemistry, July 1993, Elsevier

    Professor Stefano Mangani

  67. Crystallographic studies of the binding of protonated and unprotonated inhibitors to carbonic anhydrase using hydrogen sulphide and nitrate anions

    Article • European Journal of Biochemistry, December 1992, Wiley

    Professor Stefano Mangani

  68. EXAFS studies on copper transferrin

    Article • Journal of Inorganic Biochemistry, October 1992, Elsevier

    Professor Stefano Mangani

  69. EXAFS studies on the oxalate adduct of iron transferrin

    Article • Journal of Inorganic Biochemistry, April 1992, Elsevier

    Professor Stefano Mangani

  70. Crystal structure of the ternary complex between carboxypeptidase A, L-phenylalanine, and the azide ion

    Article • Inorganic Chemistry, February 1992, American Chemical Society (ACS)

    Professor Stefano Mangani

  71. Crystal structure of the complex between carboxypeptidase A and the biproduct analog inhibitor l-benzylsuccinate at 2·0 Å resolution

    Article • Journal of Molecular Biology, January 1992, Elsevier

    Professor Stefano Mangani

  72. EXAFS study of the active site of alkaline phosphatase from E. coli

    Article • Inorganica Chimica Acta, January 1992, Elsevier

    Professor Stefano Mangani

  73. X-ray diffraction study of the interaction between carboxypeptidase A and (S)-(+)-1-amino-2-phenylethyl phosphonic acid

    Article • European Journal of Biochemistry, January 1992, Wiley

    Professor Stefano Mangani

  74. Regiospecific allyl-alkyne coupling on an organotriruthenium carbonyl cluster. Crystal structure of Ru3(CO)8(.mu.-.eta.1:.eta.1:.eta.4-PhC:C(Ph)C(Me):CCH2NMe2)

    Article • Organometallics, July 1990, American Chemical Society (ACS)

    Professor Stefano Mangani

  75. An EXAFS study on the interaction between serum transferrin and oxalate as synergistic anion

    Article • Journal of Inorganic Biochemistry, August 1989, Elsevier

    Professor Stefano Mangani

  76. The small cage 12,17-dimethyl-5-oxa-1,9,12,17-tetra-azabicyclo[7.5.5]nonadecane (L): its synthesis, characterization, and ‘proton sponge’ behaviour. The crystal structure of the dipicrate salt [H2(L)](picrate)2

    Article • Journal of the Chemical Society Perkin Transactions 2, January 1989, Royal Society of Chemistry

    Antonio Bianchi, Professor Stefano Mangani

  77. Spectroscopic and electrochemical study of copper and zinc complexes with a N2S2 ligand donor set. Crystal structure of the copper(II) complex derived from 1,3-propylenediamine and 3-formyl-1-phenyl-2(1H)-pyridinethione

    Article • Journal of the Chemical Society Dalton Transactions, January 1989, Royal Society of Chemistry

    Professor Stefano Mangani

  78. The crystal structure of the eight-coordinated erbium(III) complex with the tetradentate ligand N,N′-ethylene-bis(salicylaldimine)

    Article • Inorganica Chimica Acta, January 1989, Elsevier

    Professor Stefano Mangani

  79. Anion coordination chemistry. 3. Second-sphere interaction between the complex anions hexacyanoferrate(II) and hexacyanocobaltate(III), with polycharged tetraazamacrocycles. Thermodynamic and single crystal x-ray studies

    Article • Inorganica Chimica Acta, June 1988, Elsevier

    Antonio Bianchi, Professor Stefano Mangani

  80. Polynuclear zinc (II) complexes with large polyazacycloalkanes. Equilibrium studies and crystal structure of the binuclear [Zn2([30]aneN10)(NCS)](ClO4)3 complex.

    Article • Inorganic Chemistry, March 1988, American Chemical Society (ACS)

    Antonio Bianchi, Professor Stefano Mangani

  81. Anion coordination chemistry. 2. Electrochemical, thermodynamic, and structural studies on supercomplex formation between large polyammonium cycloalkanes and the two complex anions hexacyanoferrate(II) and hexacyanocobaltate(III)

    Article • Inorganic Chemistry, November 1987, American Chemical Society (ACS)

    Antonio Bianchi, Professor Stefano Mangani

  82. Synthesis and complexing properties of the large polyazacycloalkane 1,4,7,10,13,16,19,22,25,28-decaazacyclotriacontane (L). Crystal structure of the monoprotonated dicopper(II) complex [Cu2(L)HCl2](ClO4)3.cntdot.4H2O

    Article • Inorganic Chemistry, April 1987, American Chemical Society (ACS)

    Antonio Bianchi, Professor Stefano Mangani

  83. Anion co-ordination chemistry. Crystal structure of the ‘super complex:’[H8L][Co(CN)6]2Cl2·10H2O (L = 1,4,7,10,13,16,19,22,25,28-deca-azacyclotriacontane)

    Article • Journal of the Chemical Society Chemical Communications, January 1987, Royal Society of Chemistry

    Antonio Bianchi, Professor Stefano Mangani

  84. Metal–nucleotide interactions: crystal structures of Ca[Cu(5′-GMP)2(en)-(H2O)2]·8H2O (5′-GMP = guanosine 5′-monophosphate, en = ethylenediamine) and Ca[Cu(5′-IMP)2(H2O)4]·6.7H...

    Article • Journal of the Chemical Society Dalton Transactions, January 1987, Royal Society of Chemistry

    Professor Stefano Mangani

  85. Solution and crystal structure of cytisine, a quinolizidine alkaloid

    Article • Journal of the Chemical Society Perkin Transactions 2, January 1987, Royal Society of Chemistry

    Professor Stefano Mangani

  86. Thermal stability of some potassium dibenzo-18-crown-6 solid compounds: KX(DB18C6) (X = NCS, Br, I, NO3). differential scanning calorimetry and x-ray investigations

    Article • Inorganica Chimica Acta, July 1986, Elsevier

    Antonio Bianchi, Professor Stefano Mangani

  87. Dicopper(II) complex of the large polyazacycloalkane 1,4,7,10,13,16,19,22-octaazacyclotetracosane (bistrien). Synthesis, crystal structure, electrochemistry, and thermodynamics of formation

    Article • Inorganic Chemistry, April 1985, American Chemical Society (ACS)

    Antonio Bianchi, Professor Stefano Mangani

  88. The X-ray structure of the [Cu(5′-GMP)2(en)(H2O)2]2–complex ion (5′-GMP = guanosine 5′-monophosphate; en = ethylenediamine). Its close resemblance with platinum co-ordination in cis-diamineplatinum(II

    Article • Journal of the Chemical Society Chemical Communications, January 1985, Royal Society of Chemistry

    Professor Stefano Mangani

  89. Macrocyclic polyphosphane ligands. Cobalt(II) and nickel(II) complexes of the γ and ε diastereoisomers of 4,7,13,16-tetraphenyl-4,7,13,16-tetraphospha-1,10-dithiacyclo-octadecane(L1) and the crystal structure of [Co(ε...

    Article • Journal of the Chemical Society Dalton Transactions, January 1985, Royal Society of Chemistry

    Professor Stefano Mangani

  90. Macrocyclic polyphosphane ligands. Cobalt(II) and nickel(II) complexes of 5RS,8RS,16RS,19RS-tetraphenyl-5,8,16,19-tetraphospha-1,12-dithiacyclodocosane (δ-L1) and the crystal structure of [Co(δ-L1)][BF4<...

    Article • Journal of the Chemical Society Dalton Transactions, January 1985, Royal Society of Chemistry

    Professor Stefano Mangani

  91. Macrocyclic polyphosphane ligands: cobalt(II) and nickel(II) complexes of 1,10-dipropyl-4RS, 7SR, 13SR, 16RS-tetraphenyl-1,10-diaza-4,7,13,16-tetraphospha-cyclooctadecane and crystal structure of the cobalt tetraphenylborate monohydrate complex

    Article • Inorganica Chimica Acta, May 1984, Elsevier

    Professor Stefano Mangani

  92. Macrocyclic polyphosphane ligands : synthesis and characterisation of three diastereoisomers of 5,8,16,19-tetraphenyl-1,12-dithia-5,8,16,19-tetraphosphacyclodocosane and the X-ray crystal structure of a dinuclear nickel(II) complex of the ? isomer

    Article • Journal of the Chemical Society Dalton Transactions, January 1984, Royal Society of Chemistry

    Professor Stefano Mangani

  93. Crystal and molecular structure of dihydroxo(5,10,15,20-tetraphenylporphinato)phosphorus(V) hydroxide dihydrate

    Article • Inorganic Chemistry, February 1983, American Chemical Society (ACS)

    Professor Stefano Mangani

  94. Crystal and molecular structure of a photoisomer of an oxodipyrromethene: the E-isomer of 3,4-dimethyl-2,2′-pyrromethen-5(1H)-one

    Article • Journal of the Chemical Society Perkin Transactions 2, January 1981, Royal Society of Chemistry

    Professor Stefano Mangani

  95. Structure and properties of some lanthanoid(III) perchlorate complexes with the crown polyether 5,6,14,15-tetrahydrodibenzo[b,k][1,4,7,10,13,16] hexaoxacyclo-octadecin

    Article • Journal of the Chemical Society Dalton Transactions, January 1979, Royal Society of Chemistry

    Professor Stefano Mangani