Bozdag M, Supuran CT, Esposito D, Angeli A, Carta F, Monti SM, De Simone G, Alterio V
2-Mercaptobenzoxazoles: a class of carbonic anhydrase inhibitors with a novel binding mode to the enzyme active site
Chem Commun (ISSN: 1359-7345linking), 2020 Jul 23; 56(59): 8297-8300.

Mancuso F, Di Fiore A, De Luca L, Angeli A, Monti SM, De Simone G, Supuran CT, Gitto R
Looking toward the Rim of the Active Site Cavity of Druggable Human Carbonic Anhydrase Isoforms
Acs Med Chem Lett (ISSN: 1948-5875linking), 2020 May 14; 11(5): 1000-1005.

Pirone L, Di Gaetano S, Rizzarelli E, Bellia F, Pedone E
Focusing on the functional characterization of the anserinase from Oreochromis niloticus
Int J Biol Macromol (ISSN: 0141-8130linking, 1879-0003electronic), 2019 Feb 22; 130: 158-165.

Buonanno M, Di Fiore A, Langella E, D’ambrosio K, Supuran CT, Monti SM, De Simone G
The Crystal Structure of a hCA VII Variant Provides Insights into the Molecular Determinants Responsible for Its Catalytic Behavior
Int J Mol Sc (ISSN: 1661-6596, 1422-0067, 1422-0067electronic), 2018 May; 19(6): 19-24.

Pietropaolo A, Magri A, Greco V, Losasso V, La Mendola D, Sciuto S, Carloni P, Rizzarelli E
Binding of Zn(II) to Tropomyosin Receptor Kinase A in Complex with Its Cognate Nerve Growth Factor: Insights from Molecular Simulation and in Vitro Essays
Acs Chem Neurosci (ISSN: 1948-7193electronic, 1948-7193linking), 2018 Jan 12; N/D: N/D-N/D.

Lanza V, Bellia F, Rizzarelli E
An inorganic overview of natural Aβ fragments: Copper(II) and zinc(II)-mediated pathways
Coord Chem Rev (ISSN: 0010-8545), 2018; 369: 1-14.

Oliveri V, Zimbone S, Giuffrida ML, Bellia F, Tomasello MF, Vecchio G
Porphyrin Cyclodextrin Conjugates Modulate Amyloid Beta Peptide Aggregation and Cytotoxicity
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2018; 24(24): 6349-6353.

Magrì A, Tabbì G, Breglia R, De Gioia L, Fantucci P, Bruschi M, Bonomo RP, La Mendola D
Copper ion interaction with the RNase catalytic site fragment of the angiogenin protein: an experimental and theoretical investigation
Dalton T (ISSN: 1477-9226, 1477-9234, 1477-9226linking), 2017 Jul 04; 46(26): 8524-8538.

Brunò E, Buemi MR, Di Fiore A, De LucaL, Ferro S, Angeli A, Cirilli R, Sadutto D, Alterio V, Monti SM, Supuran CT, De Simone G, Gitto R
Probing Molecular Interactions between Human Carbonic Anhydrases (hCAs) and a Novel Class of Benzenesulfonamides
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2017 May 25; 60(10): 4316-4326.

Mishra CB, Kumari S, Angeli A, Monti SM, Buonanno M, Tiwari M, Supuran CT
Discovery of Benzenesulfonamides with Potent Human Carbonic Anhydrase Inhibitory and Effective Anticonvulsant Action: Design, Synthesis, and Pharmacological Assessment
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2017 Mar 23; 60(6): 2456-2469.

Oliveri V, Bellia F, Vecchio G
Cyclodextrin Nanoparticles Bearing 8-Hydroxyquinoline Ligands as Multifunctional Biomaterials
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2017; 23(18): 4442-4449.

Musumeci D, Platella C, Riccardi C, Moccia F, Montesarchio D
Fluorescence sensing using DNA Aptamers in cancer research and clinical diagnostics
Cancers (ISSN: 2072-6694, 2072-6694linking), 2017; 9(12): N/D-N/D.

Langella E, D'Ambrosio K, D'Ascenzio M, Carradori S, Monti SM, Supuran CT, De Simone G
A Combined Crystallographic and Theoretical Study Explains the Capability of Carboxylic Acids to Adopt Multiple Binding Modes in the Active Site of Carbonic Anhydrases
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2016 Jan 4; 22(1): 97-100.

Nicastro MC, Spigolon D, Librizzi F, Moran O, Ortore MG, Bulone D, Biagio PLS, Carrotta R
Amyloid β-peptide insertion in liposomes containing GM1-cholesterol domains
Biophys Chem (ISSN: 0301-4622, 0301-4622linking), 2016; 208: 9-16.

Pica A, Chi M-C, Chen Y-Y, D'Ischia M, Lin L-L, Merlino A
The maturation mechanism of γ-glutamyl transpeptidases: Insights from the crystal structure of a precursor mimic of the enzyme from Bacillus licheniformis and from site-directed mutagenesis studies
Bba-Gen Subjects (ISSN: 0925-4439, 0006-3002, 1570-9639), 2016; 1864(2): 195-203.

Alterio V, Langella E, De Simone G, Monti SM
Cadmium-containing carbonic anhydrase CDCA1 in marine diatom Thalassiosira weissflogii
Mar Drugs (ISSN: 1660-3397, 1660-3397linking), 2015 Mar 25; 13(4): 1688-1697.

D'Ambrosio K, Carradori S, Monti SM, Buonanno M, Secci D, Vullo D, Supuran CT, De Simone G
Out of the active site binding pocket for carbonic anhydrase inhibitors
Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic), 2015 Jan 7; 51(2): 302-305.

Ferraro G, Massai L, Messori L, Merlino A
Cisplatin binding to human serum albumin: A structural study
Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic), 2015; 51(46): 9436-9439.

Milardi D, Pappalardo M
Molecular dynamics: New advances in drug discovery
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking), 2015; 91: 1-3.

Ferraro G, Messori L, Merlino A
The X-ray structure of the primary adducts formed in the reaction between cisplatin and cytochrome
Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic), 2015; 51(13): 2559-2561.

Oliveri V, Bellia F, Pietropaolo A, Vecchio G
Unusual Cyclodextrin Derivatives as a New Avenue to Modulate Self- and Metal-Induced Aβ Aggregation
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2015; 21(40): 14047-14059.

Messori L, Cinellu MA, Merlino A
Protein Recognition of Gold-Based Drugs: 3D Structure of the Complex Formed When Lysozyme Reacts with Aubipy(c)
Acs Med Chem Lett (ISSN: 1948-5875), 2014 Jul 31; 5(10): 1110-1113.

Oliveri V, Attanasio F, Puglisi A, Spencer J, Sgarlata C, Vecchio G
Multifunctional 8-hydroxyquinoline-appended cyclodextrins as new inhibitors of metal-induced protein aggregation
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2014 Jul 14; 20(29): 8954-8964.

Calvanese L, Falcigno L, Maglione C, Marasco D, Ruggiero A, Squeglia F, Berisio R, D'Auria G
Structural and binding properties of the PASTA domain of PonA2, a key penicillin binding protein from Mycobacterium tuberculosis
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2014 Jul; 101(7): 712-719.

Ruggiero A, Dattelbaum JD, Staiano M, Berisio R, D'Auria S, Vitagliano L
A loose domain swapping organization confers a remarkable stability to the dimeric structure of the arginine binding protein from Thermotoga maritima
Plosone (ISSN: 1932-6203, 1932-6203electronic), 2014 May 15; 9(5): e96560-e96560.

Basile L, Pappalardo M, Guccione S, Milardi D, Ramsay RR
Computational comparison of imidazoline association with the I2 binding site in human monoamine oxidases
J Chem Inf Model (ISSN: 1549-9596), 2014 Apr 28; 54(4): 1200-1207.

Russo Krauss I, Parkinson GN, Merlino A, Mattia CA, Randazzo A, Novellino E, Mazzarella L, Sica F
A regular thymine tetrad and a peculiar supramolecular assembly in the first crystal structure of an all-LNA G-quadruplex
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2014 Feb; 70(2): 362-370.

D'Ambrosio K, Lopez M, Dathan NA, Ouahrani-bettache S, Köhler S, Ascione G, Monti SM, Winum JY, De Simone G
Structural basis for the rational design of new anti-Brucella agents: The crystal structure of the C366S mutant of l-histidinol dehydrogenase from Brucella suis
Biochimie (ISSN: 0300-9084, 1638-6183, 0300-9084linking), 2014 Feb; 97(1): 114-120.

Lin L-L, Chen Y-Y, Chi M-C, Merlino A
Low resolution X-ray structure of γ-glutamyltranspeptidase from Bacillus licheniformis: Opened active site cleft and a cluster of acid residues potentially involved in the recognition of a metal ion
Bba-Gen Subjects (ISSN: 0925-4439, 0006-3002, 1570-9639), 2014; 1844(9): 1523-1529.

Bellia F, GrassoG
The role of copper(II) and zinc(II) in the degradation of human and murine IAPP by insulin-degrading enzyme
J Mass Spectrom (ISSN: 1076-5174, 1096-9888), 2014; 49(4): 274-279.

Alterio V, Pan P, Parkkila S, Buonanno M, Supuran CT, Monti SM, De Simone G
The Structural Comparison Between Membrane-Associated Human Carbonic Anhydrases Provides Insights Into Drug Design Of Selective Inhibitors
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2014; 101(7): 769-778.

Russo Krauss I, Pica A, Merlino A, Mazzarella L, Sica F
Duplex-quadruplex motifs in a peculiar structural organization cooperatively contribute to thrombin binding of a DNA aptamer
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2013 Dec; 69(12): 2403-2411.

Rami M, Dubois L, Parvathaneni NK, Alterio V, van Kuijk SJ, Monti SM, Lambin P, De Simone G, Supuran CT, Winum JY
Hypoxia-targeting carbonic anhydrase IX inhibitors by a new series of nitroimidazole-sulfonamides/sulfamides/sulfamates
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2013 Nov 14; 56(21): 8512-8520.

Vergara A, Russo Krauss I, Montesarchio D, Paduano L, Merlino A
Investigating the Ruthenium Metalation of Proteins: X-ray Structure and Raman Microspectroscopy of the Complex between RNase A and AziRu
Inorg Chem (ISSN: 0020-1669, 1520-510x, 1520-510xelectronic), 2013 Oct 7; 52(19): 10714-10716.

Pica A, Merlino A, Buell AK, Knowles TJ, Pizzo E, D'Alessio G, Sica F, Mazzarella L
Three-dimensional domain swapping and supramolecular protein assembly: insights from the X-ray structure of a dimeric swapped variant of human pancreatic RNase
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2013 Oct; 69: 2116-2123.

Squeglia F, Bachert B, Romano M, Lukomski S, Berisio R
Crystallization and preliminary X-ray crystallographic analysis of the variable domain of Scl2. 3, a streptococcal collagen-like protein from invasive M3-type Streptococcus pyogenes
Nucleosides Nucleotides Nucleic Acids (ISSN: 1744-3091, 1744-4309), 2013 Sep; 69(9): 1023-1025.

Ronda L, Merlino A, Bettati S, Verde C, Balsamo A, Mazzarella L, Mozzarelli A, Vergara A
Role of tertiary structures on the Root effect in fish hemoglobins
Bba-Gen Subjects (ISSN: 1570-9639, 0006-3002, 0925-4439), 2013 Sep; 1834(9): 1885-1893.

Correale S, Ruggiero A, Capparelli R, Pedone E, Berisio R
Structures of free and inhibited forms of the L, D-transpeptidase LdtMt1 from Mycobacterium tuberculosis
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2013 Sep; 69(Pt9): 1697-1706.

De Simone G, Alterio V, Supuran CT
Exploiting the hydrophobic and hydrophilic binding sites for designing carbonic anhydrase inhibitors
Expert Opin Drug Discov (ISSN: 1746-0441), 2013 Jul; 8(7): 793-810.

Squeglia F, Romano M, Ruggiero A, Vitagliano L, De Simone A, Berisio R
Carbohydrate recognition by RpfB from mycobacterium tuberculosis unveiled by crystallographic and molecular dynamics analyses
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2013 Jun 4; 104(11): 2530-2539.

Vergara A, Grassi M, Sica F, Pizzo E, D’Alessio G, Mazzarella L, Merlino A
A Novel Interdomain Interface In Crystallins: Structural Characterization Of The Beta Gamma-Crystallin From Geodia Cydonium At 0. 99 Angstrom Resolution
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2013 Jun; 69(6): 960-967.

Di Fiore A, Capasso C, De Luca V, Monti SM, Carginale V, Supuran CT, Scozzafava A, Pedone C, Rossi M, De Simone G
X-ray structure of the first 'extremo-alpha-carbonic anhydrase', a dimeric enzyme from the thermophilic bacterium Sulfurihydrogenibium yellowstonense YO3AOP1
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2013 Jun; 69(6): 1150-1159.

Cammisa M, Correra A, Andreotti G, Cubellis MV
Identification and analysis of conserved pockets on protein surfaces
Bmc Bioinformatics (ISSN: 1471-2105), 2013 Apr 22; 14: S9-S9.

Vergara A, D’Errico G, Montesarchio D, Mangiapia G, Paduano L, Merlino A
Interaction of Anticancer Ruthenium Compounds with Proteins: High-Resolution X-ray Structures and Raman Microscopy Studies of the Adduct between Hen Egg White Lysozyme and AziRu
Inorg Chem (ISSN: 0020-1669, 1520-510x, 1520-510xelectronic), 2013 Apr 15; 52(8): 4157-4159.

Palmieri M, Malgieri G, Russo L, Baglivo I, Esposito S, Netti F, Del Gatto A, De Paola I, Zaccaro L, Pedone PV, Isernia C, Milardi D, Fattorusso R
Structural Zn(II) Implies a Switch from Fully Cooperative to Partly Downhill Folding in Highly Homologous Proteins
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2013 Apr 2; 135(13): 5220-5228.

Correale S, Ruggiero A, Pedone E, Berisio R
Expression, purification, crystallization and preliminary X-ray crystallographic analysis of the l, d-transpeptidase LdtMt1 from Mycobacterium tuberculosis
Nucleosides Nucleotides Nucleic Acids (ISSN: 1744-3091, 1744-4309), 2013 Mar 1; 69(3): 253-256.

Ruggiero A, Marchant J, Squeglia F, Makarov V, De Simone A, Berisio R
Molecular determinants of inactivation of the resuscitation promoting factor B from Mycobacterium tuberculosis
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking), 2013 Feb 1; 31(2): 195-205.

Grasso G, Spoto G
Plasmonics for the study of metal ion-protein interactions
Anal Bioanal Chem (ISSN: 1618-2642), 2013 Feb; 405(6): 1833-1843.

Arena G, Attanasio F, Zhang D, Yang Y, Bartsch RA, Sgarlata C
Selective sensing of Hg2+ by a proton-ionizable calix[4]arene fluoroionophore
Anal Bioanal Chem (ISSN: 1618-2642), 2013 Jan; 405(2-3): 1133-1137.

Merlino A, Fuchs MR, Pica A, Balsamo A, Dworkowski FSN, Pompidor G, Mazzarella L, Vergara A
Selective X-ray-induced NO photodissociation in haemoglobin crystals: evidence from a Raman-assisted crystallographic study
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2013 Jan; 69: 137-140.

Bellia F, Pietropaolo A,  Grasso G
Formation of insulin fragments by insulin-degrading enzyme: The role of zinc(II) and cystine bridges
J Mass Spectrom (ISSN: 1076-5174, 1096-9888), 2013; 48(2): 135-140.

Messori L, Scaletti F, Massai L, Cinellu MA, Gabbiani C, Vergara A, Merlino A
The mode of action of anticancer gold-based drugs: a structural perspective
Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic), 2013; 49(86): 10100-10102.

Faiella M, Maglio O, Nastri F, Lombardi A, Lista L, Hagen WR, Pavone V
De Novo Design, Synthesis and Characterisation of MP3, A New Catalytic Four-Helix Bundle Hemeprotein
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2012 Dec 7; 18(50): 15960-15971.

Travaglia A, La Mendola D, Magrì A, Nicoletti VG, Pietropaolo A, Rizzarelli E
Copper, BDNF and Its N-terminal domain: inorganic features and biological perspectives
Chemistry (ISSN: 1521-3765, 0947-6539, 1521-3765electronic), 2012 Dec 3; 18(49): 15618-15631.

Grasso G, Salomone F, Tundo GR, Pappalardo G, Ciaccio C, Spoto G, Pietropaolo A, Coletta M, Rizzarelli E
Metal ions affect insulin-degrading enzyme activity
J Chem Res (ISSN: 1873-3344, 0162-0134, 0162-0134print), 2012 Dec; 117: 351-358.

Coppola D, Abbruzzetti S, Nicoletti F, Merlino A, Gambacurta A, Giordano D, Howes BD, De Sanctis G, Vitagliano L, Bruno S, di Prisco G, Mazzarella L, Smulevich G, Coletta M, Viappiani C, Vergara A, Verde C
ATP regulation of the ligand-binding properties in temperate and cold-adapted haemoglobins. X-ray structure and ligand-binding kinetics in the sub-Antarctic fish Eleginops maclovinus
Molecular Biosystems (ISSN: 1742-206x), 2012 Oct 30; 8(12): 3295-3304.

Alterio V, Di Fiore A, D'Ambrosio K, Supuran CT, De Simone G
Multiple binding modes of inhibitors to carbonic anhydrases: How to design specific drugs targeting 15 different isoforms?
Chem Rev (ISSN: 0009-2665), 2012 Sep; 112(8): 4421-4468.

Hua Y, Changenet-Barret P, Improta R, Vaya I, Gustavsson T, Kotlyar AB, Zikich D, Sket P, Plavec J, Markovitsi D
Cation effect on the electronic excited states of guanine nanostructures studied by time-resolved fluorescence spectroscopy
J Phys Chem C (ISSN: 1932-7447), 2012 Jul 12; 116(27): 14682-14689.

Jószai V, Turi I, Kállay C, Pappalardo G, Di Natale G, Rizzarelli E, Sóvágó I
Mixed metal copper(II)-nickel(II) and copper(II)-zinc(II) complexes of multihistidine peptide fragments of human prion protein
J Chem Res (ISSN: 1873-3344, 0162-0134, 0162-0134print), 2012 Jul; 112: 17-24.

Santoro AM, Lo Giudice MC, D'Urso A, Lauceri R, Purrello R, Milardi D
Cationic porphyrins are reversible proteasome inhibitors
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2012 Jun 27; 134(25): 10451-10457.

Alterio V, Langella E, Viparelli F, Vullo D, Ascione G, Dathan NA, Morel FM, Supuran CT, De Simone G, Monti SM
Structural and inhibition insights into carbonic anhydrase CDCA1 from the marine diatom Thalassiosira weissflogii
Biochimie (ISSN: 0300-9084, 1638-6183, 1638-6183electronic), 2012 May; 94(5): 1232-1241.

Merlino A, Russo Krauss I, Rossi B, De Vendittis A, Marco S, De Vendittis E, Vergara A, Sica F
Identification of an active dimeric intermediate populated during the unfolding process of the cambialistic superoxide dismutase from Streptococcus mutans
Biochimie (ISSN: 0300-9084, 1638-6183, 1638-6183electronic), 2012 Mar; 94(3): 768-775.

Falanga A, Tarallo R, Vitiello G, Vitiello M, Perillo E, Cantisani M, D'Errico G, Galdiero M, Galdiero S
Biophysical Characterization and Membrane Interaction of the Two Fusion Loops of Glycoprotein B from Herpes Simplex Type I Virus
Plosone (ISSN: 1932-6203, 1932-6203electronic), 2012 Feb 23; 7(2): N/D-N/D.

D'Ambrosio K, Smaine F-Z, Carta F, De Simone G, Winum J-Y, Supuran CT
Development of potent carbonic anhydrase inhibitors incorporating both sulfonamide and sulfamide groups
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2012; 55(15): 6776-6783.

Di Fiore A, Maresca A, Supuran CT, De Simone G
Hydroxamate represents a versatile zinc binding group for the development of new carbonic anhydrase inhibitors
Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic), 2012; 48(70): 8838-8840.

Ruggiero A, Dattelbaum JD, Pennacchio A, Iozzino L, Staiano M, Luchansky MS, Der BS, Berisio R, D'Auria S, Vitagliano L
Crystallization and preliminary X-ray crystallographic analysis of ligand-free and arginine-bound forms of Thermotoga maritima arginine-binding protein
Nucleosides Nucleotides Nucleic Acids (ISSN: 1744-3091, 1744-4309), 2011 Nov 1; 67(11): 1462-1465.

Malgieri G, Zaccaro L, Leone M, Bucci E, Esposito S, Baglivo I, Del Gatto A, Russo L, Scandurra R, Pedone PV, Fattorusso R, Isernia C
Zinc to Cadmium Replacement in the A. thaliana SUPERMAN Cys(2)His(2) Zinc Finger Induces Structural Rearrangements of Typical DNA Base Determinant Positions
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2011 Nov; 95(11): 801-810.

Andreotti G, Citro V, De Crescenzo A, Orlando P, Cammisa M, Correra A, Cubellis MV
Therapy of Fabry disease with pharmacological chaperones: from in silico predictions to in vitro tests
Orphanet Journal Of Rare Diseases (ISSN: 1750-1172), 2011 Oct 17; 6: 66-66.

Arena G, Fattorusso R, Grasso G, Grasso GI, Isernia C, Malgieri G, Milardi D, Rizzarelli E
Zinc(II) complexes of ubiquitin: speciation, affinity and binding features
Chemistry (ISSN: 1521-3765, 0947-6539, 1521-3765electronic), 2011 Oct 4; 17(41): 11596-11603.

Grasso GI, Arena G, Bellia F, Maccarrone G, Parrinello M, Pietropaolo A, Vecchio G, Rizzarelli E
Intramolecular weak interactions in the thermodynamic stereoselectivity of copper(II) complexes with carnosine-trehalose conjugates
Chemistry (ISSN: 1521-3765, 0947-6539, 1521-3765electronic), 2011 Sep 16; 17(34): 9448-9455.

Improta R, Vitagliano L, Esposito L
Peptide bond distortions from planarity: New insights from quantum mechanical calculations and peptide/protein crystal structures
Plosone (ISSN: 1932-6203, 1932-6203electronic), 2011 Sep 16; 6(9): e24533-e24533.

Vitagliano L, Berisio R, De Simone A
Role of hydration in collagen recognition by bacterial adhesins
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2011 May 4; 100(9): 2253-2261.

Ruggiero A, Squeglia F, Marasco D, Marchetti R, Molinaro A, Berisio R
X-ray structural studies of the entire extracellular region of the serine/threonine kinase PrkC from Staphylococcus aureus
Biochem J (ISSN: 0264-6021, 1470-8728electronic, 0264-6021linking), 2011 Apr 1; 435(1): 33-41.

Grasso G, Pietropaolo A, Spoto G, Pappalardo G, Tundo GR, Ciaccio C, Coletta M, Rizzarelli E
Copper(I) and Copper(II) Inhibit A beta Peptides Proteolysis by Insulin-Degrading Enzyme Differently: Implications for Metallostasis Alteration in Alzheimer's Disease
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2011 Feb 25; 17(9): 2752-2762.

Ruggiero A, Squeglia F, Pirone L, Correale S, Berisio R
Expression, purification, crystallization and preliminary X-ray crystallographic analysis of a major fragment of the resuscitation-promoting factor RpfB from Mycobacterium tuberculosis
Nucleosides Nucleotides Nucleic Acids (ISSN: 1744-3091, 1744-4309), 2011 Jan 1; 67(1): 164-168.

Di Fiore A, Maresca A, Alterio V, Supuran CT, De Simone G
Carbonic anhydrase inhibitors: X-ray crystallographic studies for the binding of N-substituted benzenesulfonamides to human isoform II
Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic), 2011; 47(42): 11636-11638.

Grasso G, La Mendola D, Milardi D
Metal Ions and the Clearance of Misfolded Proteins
Neurodegeneration (ISSN: 2041-3203), 2011; (7): N/D-N/D.

Andreotti G, Guarracino MR, Cammisa M, Correra A, Cubellis MV
Prediction of the responsiveness to pharmacological chaperones: lysosomal human alpha-galactosidase, a case of study
Orphanet Journal Of Rare Diseases (ISSN: 1750-1172), 2010 Dec 8; 5: 36-36.

Merlino A, Russo Krauss I, Castellano I, De Vendittis E, Rossi B, Conte M, Vergara A, Sica F
Structure and flexibility in cold-adapted iron superoxide dismutases: The case of the enzyme isolated from Pseudoalteromonas haloplanktis
J Struct Biol (ISSN: 1047-8477), 2010 Dec; 172(3): 343-352.

La Mendola D, Magrì A, Vagliasindi LI, Hansson Ö, Bonomo RP, Rizzarelli E
Copper(II) complex formation with a linear peptide encompassing the putative cell binding site of angiogenin
Dalton T (ISSN: 1477-9234, 1477-9226, 1477-9234electronic), 2010 Nov 28; 39(44): 10678-10684.

Merlino A, Vitagliano L, Balsamo A, Nicoletti FP, Howes BD, Giordano D, Coppola D, Di Prisco G, Verde C, Smulevich G, Mazzarella L, Vergara A
Crystallization, preliminary X-ray diffraction studies and Raman microscopy of the major haemoglobin from the sub-Antarctic fish Eleginops maclovinus in the carbomonoxy form
Nucleosides Nucleotides Nucleic Acids (ISSN: 1744-3091, 1744-4309), 2010 Nov; 66: 1536-1540.

Limauro D, D'Ambrosio K, Langella E, De Simone G, Galdi I, Pedone C, Pedone E, Bartolucci S
Exploring the catalytic mechanism of the first dimeric Bcp: Functional, structural and docking analyses of Bcp4 from Sulfolobus solfataricus
Biochimie (ISSN: 1638-6183, 0300-9084, 1638-6183electronic), 2010 Oct; 92(10): 1435-1444.

Ruggiero A, Squeglia F, Izzo V, Silipo A, Vitagliano L, Molinaro A, Berisio R
Expression, purification, crystallization and preliminary x-ray crystallographic analysis of the peptidoglycan binding region of the ser/thr kinase PrkC from staphylococcus aureus
Protein Pept Lett (ISSN: 0929-8665, 1875-5305), 2010 Oct; 17(10): 1296-1299.

Viparelli F, Monti SM, De Simone G, Innocenti A, Scozzafava A, Xu Y, Morel FMM, Supuran CT
Inhibition Of The R1 Fragment Of The Cadmium-Containing Zeta-Class Carbonic Anhydrase From The Diatom Thalassiosira Weissflogii With Anions
Bioorganic & Medicinal Chemistry Letters (ISSN: 0960-894x), 2010 Sep 15; 20(16): 4745-4748.

Józsa E, Osz K, Kállay C, de Bona P, Damante CA, Pappalardo G, Rizzarelli E, Sóvágó I
Nickel(ii) and mixed metal complexes of amyloid-β N-terminus
Dalton T (ISSN: 1477-9226, 1477-9234, 1477-9234electronic), 2010 Sep 14; 39(30): 7046-7053.

Alterio V, Monti SM, Truppo E, Pedone C, Supuran CT, De Simone G
The first example of a significant active site conformational rearrangement in a carbonic anhydrase-inhibitor adduct: The carbonic anhydrase I-topiramate complex
Org Biomol Chem (ISSN: 1477-0520, 1477-0539, 1477-0539electronic), 2010 Sep 7; 8(15): 3528-3533.

Langella E, Pierre S, Ghattas W, Giorgi M, Réglier M, Saviano M, Esposito L, Hardré R
Probing The Peptidylglycine Alpha-Hydroxylating Monooxygenase Active Site With Novel 4-Phenyl-3-Butenoic Acid Based Inhibitors
Chemmedchem (ISSN: 1860-7179, 1860-7187, 1860-7187electronic), 2010 Sep 3; 5(9): 1568-1576.

Di Fiore A, Truppo E, Supuran CT, Alterio V, Dathan N, Bootorabi F, Parkkila S, Monti SM, De Simone G
Crystal structure of the C183S/C217S mutant of human CA VII in complex with acetazolamide
Bioorg Med Chem Lett (ISSN: 0960-894x), 2010 Sep 1; 20(17): 5023-5026.

Turi I, Kállay C, Szikszai D, Pappalardo G, Di Natale G, De Bona P, Rizzarelli E, Sóvágó I
Nickel(II) complexes of the multihistidine peptide fragments of human prion protein
J Chem Res (ISSN: 1873-3344, 0162-0134, 0162-0134print), 2010 Sep; 104(8): 885-891.

Russo Krauss I, Merlino A, Randazzo A, Mazzarella L, Sica F
Crystallization and preliminary X-ray analysis of the complex of human alpha-thrombin with a modified thrombin-binding aptamer
Nucleosides Nucleotides Nucleic Acids (ISSN: 1744-3091, 1744-4309, 1532-2335electronic), 2010 Aug 1; 66(Pt8): 961-963.

Di Fiore A, Monti SM, Innocenti A, Winum J-Y, De Simone G, Supuran CT
Carbonic anhydrase inhibitors: Crystallographic and solution binding studies for the interaction of a boron-containing aromatic sulfamide with mammalian isoforms I-XV
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894x), 2010 Jun 15; 20(12): 3601-3605.

La Mendola D, Magrì A, Campagna T, Campitiello MA, Raiola L, Isernia C, Hansson O, Bonomo RP, Rizzarelli E
A doppel alpha-helix peptide fragment mimics the copper(II) interactions with the whole protein
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2010 Jun 1; 16(21): 6212-6223.

Torres Martin De Rosales R, Faiella M, Farquhar E, Que L, J , Andreozzi C, Pavone V, Maglio O, Nastri F, Lombardi A
Spectroscopic and metal-binding properties of DF3: an artificial protein able to accommodate different metal ions
J Biol Inorg Chem (ISSN: 1432-1327electronic, 0949-8257linking, 0949-8257print), 2010 Jun; 15(5): 717-728.

Abbate M, Casella G, Fiore T, Grasso G, Pellerito C, Scopelliti M, Spinella A, Pellerito L
Structural characterization of triorganotin(IV) complexes with sodium fusidate and DFT calculations
J Organomet Chem (ISSN: 0022-328x), 2010 May 1; 695(9): 1405-1413.

Ruggiero A, Squeglia F, Esposito C, Marasco D, Pedone E, Pedone C, Berisio R
Expression, purification, crystallization and preliminary X-ray crystallographic analysis of the resuscitation promoting factor interacting protein RipA from M. tuberculosis
Protein Pept Lett (ISSN: 0929-8665, 1875-5305), 2010 Jan; 17(1): 70-73.

Langella E, Pierre S, Ghattas W, Giorgi M, Rglier M, Saviano M,  Esposito L, Hardr R
Exploring Phm Active Site: Characterization Of Novel Pba-Derived Inhibitors Using A Combined Experimental And Computational Approach
Chemmedchem, 2010; 5: 1568-1576.

Jozsa E, Hosz K, Kallay C, De Bona P, Damante CA, Pappalardo G, Rizzarelli E, Sovago I
Nickel (ii) And Mixed Metal Complexes Of Amyloid-B N-Terminus. Results Of Potentiometric And Spectroscopic Studies On The Binary Nickel (ii) And Mixed Metal Nickel (ii)-Copper (ii) And Nickel (ii)-Copper (ii)-Zinc (ii) Complexes Of Peptide Fragments
Dalton T (ISSN: 1477-9226, 1477-9234, 1477-9234electronic), 2010; 39(30): 7046-7053.

Supuran CT, Di Fiore A, Alterio V, Monti SM, De Simone G
Recent advances in structural studies of the carbonic anhydrase family: The crystal structure of human CA IX and CA XIII
Curr Pharm Des Current Pharmaceutical Design (ISSN: 1381-6128, 1873-4286), 2010; 16(29): 3246-3254.

Faiella M, Andreozzi C, de Rosales RT, Pavone V, Maglio O, Nastri F, DeGrado WF, Lombardi A
An artificial di-iron oxo-protein with phenol oxidase activity
Nat Chem Biol (ISSN: 1552-4450), 2009 Dec; 5(12): 882-884.

Merlino A, Vitagliano L, Howes BD, Verde C, Di Prisco G, Smulevich G, Sica F, Vergara A
Combined Crystallographic and Spectroscopic Analysis of Trematomus bernacchii Hemoglobin Highlights Analogies and Differences in the Peculiar Oxidation Pathway of Antarctic Fish Hemoglobins
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2009 Dec; 91(12): 1117-1125.

Ruggiero A, Di Maro A, Severino V, Chambery A, Berisio R
Crystal structure of PD-L1, a ribosome inactivating protein from Phytolacca dioica L. leaves with the property to induce DNA cleavage
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2009 Dec; 91(12): 1135-1142.

Alterio V, Hilvo M, Di Fiore A, Supuran CT, Pan P, Parkkila S, Scaloni A, Pastorek J, Pastorekova S, Pedone C, Scozzafava A, Monti SM, De Simone G
Crystal structure of the catalytic domain of the tumor-associated human carbonic anhydrase IX
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2009 Sep 22; 106(38): 16233-16238.

Vergara A, Franzese M, Merlino A, Bonomi G, Verde C, Giordano D, Di Prisco G, Lee HC, Peisach J, Mazzarella L
Correlation between Hemichrome Stability and the Root Effect in Tetrameric Hemoglobins
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2009 Sep 5; 97(3): 866-874.

Pennacchio A, Esposito L, Zagari A, Rossi M, Raia CA
Role of Tryptophan 95 in substrate specificity and structural stability of Sulfolobus solfataricus alcohol dehydrogenase
Extremophiles (ISSN: 1431-0651, 1433-4909, 1433-4909electronic), 2009 Sep; 13(5): 751-761.

Ruggiero A, Lanzotti MA, Ruocco MR, Grimaldi P, Marasco D, Arcari P, Masullo M, Zagari A, Vitagliano L
Crystallization and preliminary X-ray crystallographic analysis of two dimeric hyperthermostable thioredoxins isolated from Sulfolobus solfataricus
Nucleosides Nucleotides Nucleic Acids (ISSN: 1744-3091, 1744-4309), 2009 Jun; 65: 604-607.

Di Fiore A, Fiorentino G, Vitale RM, Ronca R, Amodeo P, Pedone C, Bartolucci S, De Simone G
Structural analysis of BldR from Sulfolobus solfataricus provides insights into the molecular basis of transcriptional activation in Archaea by MarR family proteins
J Mol Biol (ISSN: 1089-8638, 0022-2836, 1089-8638electronic), 2009 May 8; 388(3): 559-569.

Grasso G, Rizzarelli E, Spoto G
The proteolytic activity of insulin-degrading enzyme: a mass spectrometry study
J Mass Spectrom (ISSN: 1096-9888, 1076-5174), 2009 May; 44(5): 735-741.

Daniele A, Scala I, Cardillo G, Pennino C, Ungaro C, Sibilio M, Parenti G, Esposito L, Zagari A, Andria G, Salvatore F
Functional and structural characterization of novel mutations and genotype-phenotype correlation in 51 phenylalanine hydroxylase deficient families from Southern Italy
Febs Journal (ISSN: 1742-464x), 2009 Apr; 276(7): 2048-2059.

Ruggiero A, Tizzano B, Pedone E, Pedone C, Wilmanns M, Berisio R
Crystal Structure of the Resuscitation-Promoting Factor (Delta DUF)RpfB from M. tuberculosis
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2009 Jan 9; 385(1): 153-162.

Di Fiore A, Monti SM, Hilvo M, Parkkila S, Romano V, Scaloni A, Pedone C, Scozzafava A, Supuran CT, De Simone G
Crystal structure of human carbonic anhydrase XIII and its complex with the inhibitor acetazolamide
Proteins (ISSN: 1097-0134, 0887-3585, 1097-0134electronic), 2009 Jan; 74(1): 164-175.

Palmieri G, Catara G, Saviano M, Langella E, Gogliettino M, Rossi M
First archaeal PEPB-serine protease inhibitor from sulfolobus solfataricus with noncanonical amino acid sequence in the reactive-site loop
J Proteome Res (ISSN: 1535-3893), 2009 Jan; 8(1): 327-334.

Tornatore L, Montil SM, Marasco D, Dathan N, Vitale RM, Benedetti E, Pedone C, Papa S, Franzoso G, Ruvo M
Gadd45beta dimerization does not affect MKK7 binding
Adv Exp Med Biol (ISSN: 0065-2598, 0065-2598print), 2009; 611: 367-368.

Verde C, Vergara A, Mazzarella L, Di Prisco G
The Hemoglobins of Fishes Living at Polar Latitudes - Current Knowledge on Structural Adaptations in a Changing Environment
Curr Protein Pept Sci (ISSN: 1389-2037), 2008 Dec; 9(6): 578-590.

Hilvo M, Baranauskiene L, Salzano AM, Scaloni A, Matulis D, Innocenti A, Scozzafava A, Monti SM, Di Fiore A, De Simone G, Lindfors M, Janis J, Valjakka J, Pastorekova S, Pastorek J, Kulomaa MS, Nordlund HR, Supuran CT, Parkkila S
Biochemical characterization of CA IX, one of the most active carbonic anhydrase isozymes
Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking), 2008 Oct 10; 283(41): 27799-27809.

Sciacca MFM, Pappalardo M, Milardi D, Grasso DM, La Rosa C
Calcium-Activated Membrane Interaction Of The Islet Amyloid Polypeptide: Implications In The Pathogenesis Of Type Ii Diabetes Mellitus
Arch Biochem Biophys, 2008 Sep 15; 65(1-2): 291-298.

Merlino A, Sica F, Mazzarella L, Zagari A, Vergara A
Correlation between Raman and X-ray crystallography data of (Pro-Pro-Gly)(10)
Biophys Chem (ISSN: 0301-4622, 0301-4622linking), 2008 Sep; 137(1): 24-27.

Pappalardo M, Sciacca MFM, Milardi D, Grasso DM, La Rosa C
Thermodynamics Of Azurin Folding: The Role Of The Copper Ion
Journal Of Thermal Analysis And Calorimetry (ISSN: 1388-6150), 2008 Sep; 93(2): 575-581.

Grimaldi P, Ruocco MR, Lanzotti MA, Ruggiero A, Ruggiero I, Arcari P, Vitagliano L, Masullo M
Characterisation of the components of the thioredoxin system in the archaeon Sulfolobus solfataricus
Extremophiles (ISSN: 1431-0651, 1433-4909, 1433-4909electronic), 2008 Jul; 12(4): 553-562.

D'Ambrosio K, Vitale R, Dogne J, Masereel B, Innocenti A, Scozzafava A, De Simone G, Supuran CT
Ccarbonic Anhydrase Inhibitors: Bioreductive Nitro-Containing Sulfonamides With Selectivity For Targeting The Tumor Associated Isoforms Ix And Xii
J Med Chem (ISSN: 1520-4804, 0022-2623, 0022-2623print), 2008 Jun 12; 51(11): 3230-3237.

Di Fiore A, Pedone C, Antel J, Waldeck H, Witte A, Wurl M, Scozzafava A, Supuran CT, De Simone G
Carbonic anhydrase inhibitors: the X-ray crystal structure of ethoxzolamide complexed to human isoform II reveals the importance of thr200 and gln92 for obtaining tight-binding inhibitors
Bioorg Med Chem Lett (ISSN: 1464-3405, 0960-894x, 1464-3405electronic), 2008 Apr 15; 18(8): 2669-2674.

Ruggiero A, Chambery A, Di Maro A, Parente A, Berisio R
Atomic Resolution (1. 1 Angstrom) Structure Of The Ribosome-Inactivating Protein Pd-L4 From Phytolacca Dioica L. Leaves
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2008 Apr; 71(1): 8-15.

D'Ambrosio K, Masereel B, Thiry A, Scozzafava A, Supuran CT, De Simone G
Carbonic anhydrase inhibitors: Binding of indanesulfonamides to the human isoform II
Chemmedchem (ISSN: 1860-7179, 1860-7187, 1860-7187electronic), 2008 Mar; 3(3): 473-477.

Vergara A, Merlino A, Pizzo E, D'Alessio G, Mazzarella L
A novel method for detection of selenomethionine incorporation in protein crystals via Raman microscopy
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2008 Feb; 64: 167-171.

Merlino A, Russo Krauss I, Castellano I, De Vendittis E, Vergara A, Sica F
Crystallization and preliminary x-ray diffraction studies of a psychrophilic iron superoxide dismutase from Pseudoalteromonas haloplanktis
Protein Pept Lett (ISSN: 0929-8665, 1875-5305), 2008; 15(4): 415-418.

Ruggiero A, Tizzano B, Geerlof A, Pedone E, Pedone C, Wilmanns M, Berisio R
Expression, purification, crystallization and preliminary X-ray crystallographic analysis of a resuscitation-promoting factor from Mycobacterium tuberculosis
Nucleosides Nucleotides Nucleic Acids (ISSN: 1744-3091, 1744-4309), 2007 Oct 1; 63(10): 870-873.

Vergara A, Franzese M, Merlino A, Vitagliano L, Verde C, Di Prisco G, Lee HC, Peisach J, Mazzarella L
Structural characterization of ferric hemoglobins from three Antarctic fish species of the suborder notothenioidei
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2007 Oct; 93(8): 2822-2829.

Alterio V, De Simone G, Monti SM, Scozzafava A, Supuran CT
Carbonic anhydrase inhibitors: Inhibition of human, bacterial, and archaeal isozymes with benzene-1, 3-disulfonamides-Solution and crystallographic studies
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894x), 2007 Sep 1; 17(15): 4201-4207.

Pastore C, Franzese M, Sica F, Temussi P, Pastore A
Understanding the binding properties of an unusual metal-binding protein - a study of bacterial frataxin
Febs Journal (ISSN: 1742-464x), 2007 Sep; 274(16): 4199-4210.

Di Fiore A, Scozzafava A, Winum JY, Montero JL, Pedone C, Supuran CT, De Simone G
Carbonic anhydrase inhibitors: binding of an antiglaucoma glycosyl-sulfanilamide derivative to human isoform II and its consequences for the drug design of enzyme inhibitors incorporating sugar moieties
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894x), 2007 Mar 15; 17(6): 1726-1731.

De Simone G, Supuran CT
Antiobesity carbonic anhydrase inhibitors
Curr Top Med Chem (ISSN: 1568-0266, 1568-0266linking, 1873-4294electronic), 2007; 7(9): 879-884.

Ruggiero A, Chambery A, Di Maro A, Mastroianni A, Parente A, Berisio R
Crystallization and preliminary X-ray diffraction analysis of PD-L1, a highly glycosylated ribosome inactivating protein with DNase activity
Protein Pept Lett (ISSN: 0929-8665, 1875-5305), 2007; 14(4): 407-409.

Milardi D, Arnesano F, Grasso G, Magrì A, Tabbì G, Scintilla S, Natile G, Rizzarelli E
Ubiquitin stability and the Lys63-linked polyubiquitination site are compromised on copper binding
Angew Chem Int Ed (ISSN: 1433-7851, 1521-3773electronic), 2007; 46(42): 7993-7995.

Leese MP, Leblond B, Smith A, Newman SP, Di Fiore A, De Simone G, Supuran CT, Purohit A, Reed MJ, Potter BVL
2-substituted estradiol bis-sulfamates, multitargeted antitumor agents: synthesis, in vitro SAR, protein crystallography, and in vivo activity
J Med Chem (ISSN: 0022-2623print, 0022-2623linking, 1520-4804), 2006 Dec 28; 49(26): 7683-7696.

Menchise V, De Simone G, Di Fiore A, Scozzafava A, Supuran CT
Carbonic anhydrase inhibitors: X-ray crystallographic studies for the binding of 5-amino-1, 3, 4-thiadiazole-2-sulfonamide and 5-(4-amino-3-chloro-5-fluorophenylsulfonamido)1, 3, 4-thiadiazole-2-sulfon amide to human isoform II
Bioorganic & Medicinal Chemistry Letters (ISSN: 0960-894x), 2006 Dec 15; 16(24): 6204-6208.

D'Ambrosio K, Pedone E, Langella E, De Simone G, Rossi M, Pedone C, Bartolucci S
A novel member of the protein disulfide oxidoreductase family from Aeropyrum pernix K1: Structure, function and electrostatics
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2006 Sep 29; 362(4): 743-752.

De Simone G, Vitale RM, Di Fiore A, Pedone C, Scozzafava A, Montero JL, Winum JY, Supuran CT
Carbonic anhydrase inhibitors: Hypoxia-activatable sulfonamides incorporating disulfide bonds that target the tumor-associated isoform IX
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2006 Sep 7; 49(18): 5544-5551.

Joszal V, Nagy Z, Osz K, Sanna D, Di Natale G, La Mendola D, Pappalardo G, Rizzarelli E, Sovago I
Transition metal complexes of terminally protected peptides containing histidyl residues
J Chem Res (ISSN: 0162-0134, 1873-3344, 0162-0134print), 2006 Sep; 100(8): 1399-1409.

Alterio V, Vitale RM, Monti SM, Pedone C, Scozzafava A, Cecchi A, De Simone G, Supuran CT
Carbonic anhydrase inhibitors: X-ray and molecular modeling study for the interaction of a fluorescent antitumor sulfonamide with isozyme II and IX
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2006 Jun 28; 128(25): 8329-8335.

Cappiello M, Alterio  V, Amodeo P, Del Corso A, Scaloni A, Pedone C, Moschini R, De Donatis GM, De Simone G, Mura U
A new spot test for sulfhydryl-containing compounds
Anal Biochem, 2006 Mar 14; 79(1-2): 610-611.

Cappiello M, Alterio V, Amodeo P, Del Corso A, Scaloni A, Pedone C, Moschini R, De Donatis GM, De Simone G, Mura U
Metal ion substitution in the catalytic site greatly affects the binding of sulfhydryl-containing compounds to leucyl aminopeptidase
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2006 Mar 14; 45(10): 3226-3234.

D'Ambrosio K, Pailot A, Talfournier F, Didierjean C, Benedetti E, Aubry A, Branlant G, Corbier C
The first crystal structure of a thioacylenzyme intermediate in the ALDH family: New coenzyme conformation and relevance to catalysis
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2006 Mar 7; 45(9): 2978-2986.

Di Fiore A, Pedone C, D'Ambrosio K, Scozzafava A, De Simone G, Supuran CT
Carbonic anhydrase inhibitors: Valdecoxib binds to a different active site region of the human isoform II as compared to the structurally related cyclooxygenase II 'selective' inhibitor celecoxib
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894x), 2006 Jan 15; 16(2): 437-442.

Ruggiero A, Masullo M, Arcari P, Raimo G, Vitagliano L, Zagari A
Crystallization And Preliminary X-Ray Crystallographic Analysis Of The Sulfolobus Solfataricus Nucleotide-Exchange Factor 1 Beta
Nucleosides Nucleotides Nucleic Acids (ISSN: 1744-3091, 1744-4309), 2005 Nov; 61(11): 1000-1002.

Pedone E, Saviano M, Bartolucci S, Rossi M, Ausili A, Scire A, Bertoli E, Tanfani F
Temperature-, SDS-, and pH-induced conformational changes in protein disulfide oxidoreductase from the archaeon Pyrococcus furiosus: A dynamic simulation and fourier transform infrared spectroscopic study
J Proteome Res (ISSN: 1535-3893), 2005 Nov; 4(6): 1972-1980.

Ruggiero A, Ruocco MR, Grimaldi P, Arcari P, Masullo M, Zagari A, Vitagliano L
Crystallization and preliminary X-ray crystallographic analysis of Sulfolobus solfataricus thioredoxin reductase
Nucleosides Nucleotides Nucleic Acids (ISSN: 1744-3091, 1744-4309), 2005 Oct; 61: 906-909.

Menchise V, De Simone G, Alterio V, Di Fiore A, Pedone C, Scozzafava A, Supuran CT
Carbonic anhydrase inhibitors: Stacking with Phe131 determines active site binding region of inhibitors as exemplified by the X-ray crystal structure of a membrane-impermeant antitumor sulfonamide complexed with isozyme II
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2005 Sep 8; 48(18): 5721-5727.

Merlino A, Mazzarella L, Carannante A, Di Fiore A, Di Donato A, Notomista E, Sica F
The importance of dynamic effects on the enzyme activity: X-ray structure and molecular dynamics of onconase mutants
Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking), 2005 May 6; 280(18): 17953-17960.

De Simone G, Di Fiore A, Menchise V, Pedone C, Antel J, Casini A, Scozzafava A, Wurl M, Supuran CT
Carbonic anhydrase inhibitors. Zonisamide is an effective inhibitor of the cytosolic isozyme II and mitochondrial isozyme V: solution and X-ray crystallographic studies
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894x), 2005 May 2; 15(9): 2315-2320.

Di Fiore A, De Simone G, Menchise V, Pedone C, Casini A, Scozzafava A, Supuran CT
Carbonic anhydrase inhibitors: X-ray crystal structure of a benzenesulfonamide strong CA II and CA IX inhibitor bearing a pentafluorophenylaminothioureido tail in complex with isozyme II
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894x), 2005 Apr 1; 15(7): 1937-1942.

Merlino A, Ceruso MA, Vitagliano L, Mazzarella L
Open interface and large quaternary structure movements in 3D domain swapped proteins: Insights from molecular dynamics simulations of the C-terminal swapped dimer of ribonuclease
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2005 Mar; 88(3): 2003-2012.

Esposito G, Vitagliano L, Cevenini A, Amelio T, Zagari A, Salvatore F
Unraveling the structural and functional features of an aldolase A mutant involved in the hemolytic anemia and severe rhabdomyolysis reported in a child
Haematologica (ISSN: 0006-4971, 0006-6497, 0390-6078), 2005 Jan 15; 105(2): 905-906.

Lahr SJ, Engel DE, Stayrook SE, Maglio O, North B, Geremia S, Lombardi A, Degrado WF
Analysis and design of turns in α-helical hairpins
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2005; 346(5): 1441-1454.

D'Ambrosio K, De Simone G, Pedone E, Rossi M, Bartolucci S, Pedone C
Crystallization and preliminary X-ray diffraction studies of a protein disulfide oxidoreductase from Aquifex aeolicus
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2004 Nov; 60(11): 2076-2077.

Pedone E, Ren B, Ladenstein R, Rossi M, Bartolucci S
Functional properties of the protein disulfide oxidoreductase from the archaeon Pyrococcus furiosus - A member of a novel protein family related to protein disulfide-isomerase
Eur J Biochem (ISSN: 0014-2956, 0014-2956print), 2004 Sep; 271(16): 3437-3448.

Vitagliano L, Bonomi G, Riccio A, di Prisco G, Smulevich G, Mazzarella L
The oxidation process of Antarctic fish hemoglobins
Eur J Biochem (ISSN: 0014-2956, 0014-2956print), 2004 May; 271(9): 1651-1659.

Saviano M, Improta R, Benedetti E, Carrozzini B, Cascarano GL, Didierjean C, Toniolo C, Crisma M
Benzophenone photophore flexibility and proximity: Molecular and crystal-state structure of a Bpa-containing trichogin dodecapeptide analogue
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-7633electronic), 2004 Apr 2; 5(4): 541-544.

Esposito L, Bruno I, Sica F, Raia CA, Giordano A, Rossi M, Mazzarella L, Zagari A
Crystal structure of a ternary complex of the alcohol dehydrogenase from Sulfolobus solfataricus
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2003 Dec 16; 42(49): 14397-14407.

Sorrentino N, De Simone G, Menchise V, Mandrich L, Rossi M, Manco G, Pedone C
Crystallization and preliminary X-ray diffraction studies of Aes acetyl-esterase from Escherichia coli
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2003 Oct; 59(10): 1846-1848.

D'Auria G, Flores G, Falcigno L, Oliva R, Vacatello M, Corsaro MM, Parrilli M, Paolillo L
Hyaluronate tetrasaccharide-Cu(II) interaction: A NMR study
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2003 Oct; 70(2): 260-269.

De Simone G, Menchise V, Omaggio S, Pedone C, Scozzafava A, Supuran CT
Design of weakly basic thrombin inhibitors incorporating novel P1 binding functions: Molecular and X-ray crystallographic studies
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2003 Sep 5; 42(30): 9013-9021.

Sica F, Di Fiore A, Zagari A, Mazzarella L
The unswapped chain of bovine seminal ribonuclease: Crystal structure of the free and liganded monomeric derivative
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2003 Sep 1; 52(2): 263-271.

Bashan A, Zarivach R, Schluenzen F, Agmon I, Harms J, Auerbach T, Baram D, Berisio R, Bartels H, Hansen HAS, Fucini P, Wilson D, Peretz M, Kessler M, Yonath A
Ribosomal crystallography: Peptide bond formation and its inhibition
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2003 Sep; 70(1): 19-41.

D'Ambrosio K, Kauffmann B, Rouhier N, Benedetti E, Jacquot JP, Aubry A, Corbier C
Crystallization and preliminary X-ray studies of the glutaredoxin from poplar in complex with glutathione
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2003 Jun; 59: 1043-1045.

Menziani MC, De Benedetti PG, Langella E, Barone V
Seeking for binding determinants of the prion protein to human plasminogen
Mol Phys (ISSN: 0026-8976), 2003; 101(17): 2763-2773.

Moschetto A, Lauceri R, Gulino FG, Sciotto D, Purrello R
Non-covalent synthesis in aqueous solution of discrete multi-porphyrin aggregates with programmable stoichiometry and sequence
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2002 Dec 11; 124(49): 14536-14537.

Merlino A, Vitagliano L, Ceruso M, Di Nola A, Mazzarella L
Global and local motions in ribonuclease A: A molecular dynamics study
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2002 Nov 15; 65(4): 274-283.

Berisio R, Vitagliano L, Vergara A, Sorrentino G, Mazzarella L, Zagari A
Crystallization of the collagen-like polypeptide (PPG)10 aboard the International Space Station. 2. Comparison of crystal quality by X-ray diffraction
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2002 Oct; 58(10II): 1695-1699.

Esposito L, Sica F, Raia CA, Giordano A, Rossi M, Mazzarella L, Zagari A
Crystal Structure Of The Alcohol Dehydrogenase From The Hyperthermophilic Archaeon Sulfolobus Solfataricus At 1. 85 Angstrom Resolution
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2002 Apr 26; 318(2): 463-477.

Esposito L, Vitagliano L, Mazzarella L
Recent advances in atomic resolution protein crystallography
Protein Pept Lett (ISSN: 0929-8665, 1875-5305), 2002 Apr; 9(2): 95-105.

Berisio R, Vitagliano L, Mazzarella L, Zagari A
Recent progress on collagen triple helix structure, stability and assembly
Protein Pept Lett (ISSN: 0929-8665, 1875-5305), 2002 Apr; 9(2): 107-116.

Oliva R, Leone M, Falcigno L, D'Auria G, Dettin M, Scarinci C, Di Bello C, Paolillo L
Structural investigation of the HIV-1 envelope glycoprotein gp160 cleavage site
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2002 Mar 15; 8(6): 1467-1473.

Menchise V, De Simone G, Corradini R, Sforza S, Sorrentino N, Romanelli A, Saviano M, Pedone C
Crystallization and preliminary X-ray diffraction studies of a D-lysine-based chiral PNA-DNA duplex
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2002 Mar; 58(3): 553-555.

Vitagliano L, Merlino A, Zagari A, Mazzarella L
Reversible substrate-induced domain motions in ribonuclease
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2002 Jan 1; 46(1): 97-104.

Berisio R, Sica F, Lamzin VS, Wilson KS, Zagari A, Mazzarella L
Atomic resolution structures of ribonuclease A at six pH values
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2002; 58(3): 441-450.

Menchise V, Corbier C, Didierjean C, Saviano M, Benedetti E, Jacquot JP, Aubry A
Crystal structure of the wild-type and D30A mutant thioredoxin h of Chlamydomonas reinhardtii and implications for the catalytic mechanism
Biochem J (ISSN: 0264-6021, 1470-8728electronic, 0264-6021linking), 2001 Oct 1; 359(1): 65-75.

Riccio A, Vitagliano L, Di Prisco G, Zagari A, Mazzarella L
Liganded and unliganded forms of Antarctic fish haemoglobins in polyethylene glycol: crystallization of an R-state haemichrome intermediate
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2001 Sep; 57: 1144-1146.

Berisio R, Viguera A, Serrano L, Wilmanns M
Atomic resolution structure of a mutant of the spectrin SH3 domain
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2001 Feb; 57(2): 337-340.

Zanotti G, Falcigno L, Saviano M, D'Auria G, Bruno BM, Campanile T, Paolillo L
Solid state and solution conformation of [Ala7]-phalloidin: A synthetic phallotoxin analogue
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2001; 7(7): 1479-1485.

De Simone G, Galdiero S, Manco G, Lang D, Rossi M, Pedone C
A snapshot of a transition state analogue of a novel thermophilic esterase belonging to the subfamily of mammalian hormone-sensitive lipase
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2000 Nov 10; 303(5): 761-771.

Vitagliano L, Merlino A, Zagari A, Mazzarella L
Productive and nonproductive binding to ribonuclease A: X-ray structure of two complexes with uridylyl(2 ', 5 ')guanosine
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic), 2000 Jun; 9(6): 1217-1225.

Esposito L, Vitagliano L, Sica F, Sorrentino G, Zagari A, Mazzarella L
The ultrahigh resolution crystal structure of ribonuclease A containing an isoaspartyl residue: Hydration and sterochemical analysis
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2000 Mar 31; 297(3): 713-732.

Lombardi A, De Simone G, Galdiero S, Nastri F, Di Costanzo L, Makihiara K, Yamada T, Pavone V
The crystal structure of Afc-containing peptide
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2000 Feb; 53(2): 150-160.

Berisio R, Vitagliano L, Sorrentino G, Carotenuto L, Piccolo C, Mazzarella L, Zagari A
Effects of microgravity on the crystal quality of a collagen-like polypeptide
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2000 Jan; 56(1): 55-61.

Vitagliano L, Adinolfi S, Sica F, Merlino A, Zagari A, Mazzarella L
A potential allosteric subsite generated by domain swapping in bovine seminal ribonuclease
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 1999 Oct 29; 293(3): 569-577.

Berisio R, Lamzin VS, Sica F, Wilson KS, Zagari A, Mazzarella L
Protein titration in the crystal state
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 1999 Oct 1; 292(4): 845-854.

De Simone G, Manco G, Galdiero S, Lombardi A, Rossi M, Pavone V
Crystallization and preliminary X-ray diffraction studies of the carboxylesterase EST2 from Alicyclobacillus acidocaldarius
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 1999 Jul; 55(7): 1348-1349.

Lombardi A, De Simone G, Nastri F, Galdiero S, Della Morte R, Staiano N, Pedone C, Bolognesi M, Pavone V
The Crystal Structure Of Alpha-Thrombin-Hirunorm Iv Complex Reveals A Novel Specificity Site Recognition Mode
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic), 1999 Jan; 8(1): 91-95.

Sica F, Adinolfi S, Berisio R, De Lorenzo C, Mazzarella L, Piccoli R, Vitagliano L, Zagari A
Crystallization of multiple forms of bovine seminal ribonuclease in the liganded and unliganded state
J Cryst Growth (ISSN: 0022-0248), 1999; 196(2-4): 305-312.

Lombardi A, De Simone G, Galdiero S, Staiano N, Nastri F, Pavone V
From natural to synthetic multisite thrombin inhibitors
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1999; 51(1): 19-39.

Vitagliano L, Adinolfi S, Riccio A, Sica F, Zagari A, Mazzarella L
Binding of a substrate analog to a domain swapping protein: X-ray structure of the complex of bovine seminal ribonuclease with uridylyl(2 ', 5 ')adenosine
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic), 1998 Sep; 7(8): 1691-1699.

Kramer RZ, Vitagliano L, Bella J, Berisio R, Mazzarella L, Brodsky B, Zagari A, Berman HM
X-ray crystallographic determination of a collagen-like peptide with the repeating sequence (Pro-Pro-Gly)
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 1998 Jul 24; 280(4): 623-638.

D'Andrea LD, Mazzeo M, Isernia C, Rossi F, Saviano M, Gallo P, Paolillo L, Pedone C
Solution conformational preferences of a peptidic analogue of a natural macrolide
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1997; 42(3): 349-361.

Lombardi A, Saviano M, Nastri F, Maglio O, Mazzeo M, Pedone C, Isernia C, Pavone V
Unusual conformational preferences of β-alanine containing cyclic peptides. VII
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1996 Jun; 38(6): 683-691.

Saviano M, Rossi F, Filizola M, Di Blasio B, Pedone C
[Aib5, 6-D-Ala8]-cyclolinopeptide A, grown from a benzene/acetonitrile mixture
Acta Crystallogr Sect C Cryst Struct Commun (ISSN: 0108-2701), 1995 Apr 15; 51: Pt-Pt.

Pavone V, Lombardi A, Saviano M, Di Blasio B, Nastri F, Fattorusso R, Zaccaro L, Maglio O, Yamada T, Omote Y
Mixed conformation in C(α, α)-disubstituted tripeptides: X-ray crystal structures of Z-Aib-Dph-Gly-OMe and Bz-Dph-Dph-Gly-OMe
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1994 Dec; 34(12): 1595-1604.

Pavone V, Lombardi A, Saviano M, Nastri F, Fattorusso R, Maglio O, Isernia C, Paolillo L, Pedone C
β-alanine containing cyclic peptides with turned structure: The 'pseudo type II β-turn. ' VI
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1994 Nov; 34(11): 1517-1526.

Di Blasio B, Lombardi A, D'Auria G, Saviano M, Isernia C, Maglio O, Paolillo L, Pedone C, Pavone V
Beta-Alanine Containing Peptides: Gamma-Turns In Cyclotetrapeptides
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1993 Apr; 31(10): 621-631.