Troisi R, Balasco N, Autiero I, Vitagliano L, Sica F
Structural Insights into Protein-Aptamer Recognitions Emerged from Experimental and Computational Studies
Int J Mol Sci (ISSN: 1422-0067linking), 2023 Nov 14; 24 (22 ): N/D-N/D.

Di Fiore A, De Luca V, Langella E, Nocentini A, Buonanno M, Monti SM, Supuran CT, Capasso C, De Simone G
Biochemical, structural, and computational studies of a γ-carbonic anhydrase from the pathogenic bacterium Burkholderia pseudomallei
Comput Struct Biotechnol J (ISSN: 2001-0370linking), 2022 Jul 27; 20: 4185-4194.

De Simone G, Bua S, Supuran CT, Alterio V
Benzyl alcohol inhibits carbonic anhydrases by anchoring to the zinc coordinated water molecule
Biochem Biophys Res Commun (ISSN: 0006-291xlinking), 2021 Apr 9; 548: 217-221.

D’ambrosio K, Di Fiore A, Buonanno M, Kumari S, Tiwari M, Supuran CT, Mishra CB, Monti SM, De Simone G
The crystal structures of 2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide in complex with human carbonic anhydrase II and VII provide insights into selective CA inhibitor development
New Journal Of Chemistry, 2021; 45: 147-152.

Urbański LJ, Di Fiore A, Azizi L, Hytönen VP, Kuuslahti M, Buonanno M, Monti SM, Angeli A, Zolfaghari Emameh R, Supuran CT, De Simone G, Parkkila S
Biochemical and structural characterisation of a protozoan beta-carbonic anhydrase from Trichomonas vaginalis
J Enzym Inhib Med Ch (ISSN: 1475-6366linking, 1475-6374electronic), 2020 Dec; 35(1): 1292-1299.

Smaldone G, Ruggiero A, Balasco N, Vitagliano L
Development of a Protein Scaffold for Arginine Sensing Generated through the Dissection of the Arginine-Binding Protein from Thermotoga maritima
Int J Mol Sc (ISSN: 1422-0067linking, 1422-0067electronic, 1661-6596), 2020 Oct 12; 21(20): N/D-N/D.

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, 1364-548xelectronic), 2020 Jul 23; 56(59): 8297-8300.

Squeglia F, Maciejewska B, Łątka A, Ruggiero A, Briers Y, Drulis-kawa Z, Berisio R
Structural and Functional Studies of a Klebsiella Phage Capsule Depolymerase Tailspike: Mechanistic Insights into Capsular Degradation
Structure (ISSN: 0969-2126linking, 1878-4186), 2020 Jun 2; 28(6): 613-624.

Calvanese L, Squeglia F, Romano M, D'Auria G, Falcigno L, Berisio R
Structural and dynamic studies provide insights into specificity and allosteric regulation of Ribonuclease AS, a key enzyme in mycobacterial virulence
J Biomol Struct Dyn (ISSN: 0739-1102linking, 1538-0254electronic), 2020; N/D: 1-19.

Alterio V, Kellner M, Esposito D, Liesche-starnecker F, Bua S, Supuran CT, Monti SM, Zeidler R, De Simone G
Biochemical and structural insights into Carbonic Anhydrase XII/Fab6A10 complex
J Mol Biol (ISSN: 0022-2836linking, 1089-8638), 2019 Dec 6; 431(24): 4910-4921.

Fusco S, Capasso D, Centore R, Di Gaetano S, Parisi E
A new biologically active molecular scaffold: crystal structure of 7-(3-hydroxyphenyl)-4-methyl-2H-[1, 2, 4]triazolo[3, 2-c][1, 2, 4]triazole and selective antiproliferative activity of three isomeric triazolo-triazoles
Acta Crystallogr C Struct Chem (ISSN: 2053-2296linking), 2019 Oct 1; 75(Pt10): 1398-1404.

Esposito L, Donnarumma F, Ruggiero A, Leone S, Vitagliano L, Picone D
Structure, stability and aggregation propensity of a Ribonuclease A-Onconase chimera
Int J Biol Macromol (ISSN: 0141-8130linking, 1879-0003electronic), 2019 Jul 15; 133: 1125-1133.

Ruggiero A, Garcia-ortega L, Moreira M, Ragucci S, Landi N, Di Maro A, Berisio R
Binding and enzymatic properties of Ageritin, a fungal ribotoxin with novel zinc-dependent function
Int J Biol Macromol (ISSN: 0141-8130linking, 1879-0003electronic), 2019 Jun 18; 136: 625-631.

Alterio V, Esposito D, Monti SM, Supuran CT, De Simone G
Crystal structure of the human carbonic anhydrase II adduct with 1-(4-sulfamoylphenyl-ethyl)-2, 4, 6-triphenylpyridinium perchlorate, a membrane-impermeant, isoform selective inhibitor
J Enzym Inhib Med Ch (ISSN: 1475-6374electronic, 1475-6366linking), 2018 Dec; 33(1): 151-157.

Ruggiero A, Garcia-ortega L, Ragucci S, Russo R, Landi N, Berisio R, Di Maro A
Structural and enzymatic properties of Ageritin, a novel metal-dependent ribotoxin-like protein with antitumor activity
Bba-Gen Subjects (ISSN: 1872-8006electronic, 0304-4165linking, 0304-4165print), 2018 Sep 18; 1862(12): 2888-2894.

Chino M, Zhang SQ, Pirro F, Leone L, Maglio O, Lombardi A, Degrado WF
Spectroscopic and metal binding properties of a de novo metalloprotein binding a tetrazinc cluster
Biopolymers (ISSN: 1097-0282electronic, 0006-3525linking, 0006-3525print), 2018 Sep 11; 109(10): e23339-e23339.

Mazzarella L, Merlino A, Balasco N, Balsamo A, Vergara A
Crystal structure of the ferric homotetrameric beta4 human hemoglobin
Biophys Chem (ISSN: 0301-4622linking), 2018 Sep; 240: 9-14.

Supuran CT, Alterio V, Di Fiore A, D'Ambrosio K, Carta F, Monti SM, De Simone G
Inhibition of carbonic anhydrase IX targets primary tumors, metastases, and cancer stem cells: Three for the price of one
Med Res Rev (ISSN: 1098-1128electronic, 0198-6325linking), 2018 Sep; 38(6): 1799-1836.

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.

Squeglia F, Berisio R, Ruggiero A
The novel thermostable cellulose-degrading enzyme DtCel5H from Dictyoglomus thermophilum: crystallization and X-ray crystallographic analysis
Acta Crystallogr F Struct Biol Commun (ISSN: 2053-230xelectronic, 2053-230xlinking), 2018 Jan 1; 74(Pt1): 1-5.

De Simone G, Langella E, Esposito D, Supuran CT, Monti SM, Winum JY, Alterio V
Insights into the binding mode of sulphamates and sulphamides to hCA II: crystallographic studies and binding free energy calculations
J Enzym Inhib Med Ch (ISSN: 1475-6366, 1475-6374electronic, 1475-6366linking), 2017 Dec; 32(1): 1002-1011.

Pirone L, Ripoll-rozada J, Leone M, Ronca R, Lombardo F, Fiorentino G, Andersen JF, Pereira PJB, Arcà B, Pedone E
Functional analyses yield detailedinsight into the mechanism of thrombin inhibition by the antihemostatic salivary protein cE5 from Anopheles gambiae
Jbc Papers (ISSN: 0021-9258linking, 1083-351x), 2017 Jul 28; 292(30): 12632-12642.

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.

Cucciolito ME, Trinchillo M, Iannitti R, Palumbo R, Tesauro D, Tuzi A, Ruffo F, D'Amora A
Sugar-Incorporated N-Heterocyclic-Carbene-Containing Gold(I) Complexes: Synthesis, Characterization, and Cytotoxic Evaluation
Eur J Inorg Chem (ISSN: 1434-1948, 1099-0682e), 2017; 2017(42): 4855-4961.

D'Andrea LD, Rosa LD, Vigliotti C, Cataldi M
VEGF mimic peptides: Potential applications in central nervous system therapeutics
New Horizons Transl Med (ISSN: 2307-5023), 2017; 3(5): 233-251.

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.

Ruggiero A, Squeglia F, Romano M, Vitagliano L, De Simone A, Berisio R
The structure of Resuscitation promoting factor B from M. tuberculosis reveals unexpected ubiquitin-like domains
Bba-Gen Subjects (ISSN: 0005-2728, 0006-3002print, 1570-9639print), 2015 Nov 5; 1860(2): 445-451.

De Simone G, Monti SM, Alterio V, Buonanno M, De Luca V, Rossi M, Carginale V, Supuran CT, Capasso C, Di Fiore A
Crystal structure of the most catalytically effective carbonic anhydrase enzyme known, SazCA from the thermophilic bacterium Sulfurihydrogenibium azorense
Bioorg Med Chem Lett (ISSN: 0960-894x), 2015 May 1; 25(9): 2002-2006.

Romano M, Squeglia F, Berisio R
Structure and Function of RNase AS, a Novel Virulence Factor from Mycobacterium Tuberculosis
Curr Med Chem (ISSN: 0929-8673, 1875-533x, 1875-533xelectronic), 2015 Apr 17; 22(14): 1745-1756.

Nikitushkin VD, Demina GR, Shleeva MO, Guryanova SV, Ruggiero A, Berisio R, Kaprelyants AS
A product of RpfB and RipA joint enzymatic action promotes the resuscitation of dormant mycobacteria
Febs J (ISSN: 1742-464x), 2015 Apr 3; 282(13): 2500-2511.

De Simone G, Di Fiore A, Capasso C, Supuran CT
The zinc coordination pattern in the eta-carbonic anhydrase from Plasmodium falciparum is different from all other carbonic anhydrase genetic families
Bioorg Med Chem Lett (ISSN: 0960-894x), 2015 Apr 1; 25(7): 1385-1389.

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.

Autiero I, Saviano M, Langella E
Conformational studies of chiral D-Lys-PNA and achiral PNA system in binding with DNA or RNA through a molecular dynamics approach
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking), 2015 Feb 16; 91: 109-117.

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.

Messori L, Marzo T, Merlino A
Interactions of carboplatin and oxaliplatin with proteins: Insights from X-ray structures and mass spectrometry studies of their ribonuclease A adducts
J Chem Res (ISSN: 0162-0134, 1873-3344, 0162-0134print), 2015; N/D: N/D-N/D.

Merlino A, Caterino M, Russo Krauss I, Vergara A
Missing gold atoms in lysozyme crystals used to grow gold nanoparticles
Nat Nanotechnol (ISSN: 1748-3387), 2015; 10(4): 285-285.

Picone D, Donnarumma F, Ferraro G, Russo Krauss I, Fagagnini A, Gotte G, Merlino A
Platinated oligomers of bovine pancreatic ribonuclease: Structure and stability
J Chem Res (ISSN: 0162-0134, 1873-3344, 0162-0134print), 2015; 146: 37-43.

Iqbal J, Al-rashida M, Durdagi S, Alterio V, Di Fiore A
Recent developments of carbonic anhydrase inhibitors as potential drugs
Biomed Res Int (ISSN: 2314-6133, 2314-6141), 2015; 2015: 174178-174178.

Ferraro G, Massai L, Messori L, Cinellu MA, Merlino A
Structural evidences for a secondary gold binding site in the hydrophobic box of lysozyme
Biometals (ISSN: 0966-0844), 2015; 28(4): 745-754.

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.

Pappalardo M, Shachaf N, Basile L, Milardi D, Zeidan M, Raiyn J, Guccione S, Rayan A
Sequential Application of Ligand and Structure Based Modeling Approaches to Index Chemicals for Their hH(4)R Antagonism
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking), 2014 Oct 16; 9(10): e109340-e109340.

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, 1948-5875linking), 2014 Jul 31; 5(10): 1110-1113.

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.

Romano M, Van De Weerd R, Brouwer FCC, Roviello GN, Lacroix R, Sparrius M, Van Den Brink-van Stempvoort G, Maaskant JJ, Van Der Sar AM, Appelmelk BJ, Geurtsen JJ, Berisio R
Structure and function of RNase AS, a polyadenylate-specific exoribonuclease affecting mycobacterial virulence in vivo
Structure (ISSN: 0969-2126, 1878-4186, 0969-2126linking), 2014 May 6; 22(5): 719-730.

Merlino A, Russo Krauss I, Castellano I, Ruocco MR, Capasso A, De Vendittis E, Rossi B, Sica F
Structural and denaturation studies of two mutants of a cold adapted superoxide dismutase point to the importance of electrostatic interactions in protein stability
Bba-Gen Subjects (ISSN: 0925-4439, 0006-3002, 1570-9639), 2014 Mar; 1844(3): 632-640.

Squeglia F, Bachert B, De Simone A, Lukomski S, Berisio R
The crystal structure of the streptococcal collagen-like protein 2 globular domain from invasive M3-type group a streptococcus shows significant similarity to immunomodulatory HIV protein gp41
Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking), 2014 Feb 21; 289(8): 5122-5133.

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.

Improta R, Vitagliano L,  Esposito L
Correction: Peptide bond distortions from planarity: New insights from quantum mechanical calculations and peptide/protein crystal structures (PLoS ONE)
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking), 2014; 9(1): N/D-N/D.

Messori L, Scaletti F, Massai L, Cinellu MA, Russo Krauss I, Di Martino G, Vergara A, Paduano L, Merlino A
Interactions of gold-based drugs with proteins: crystal structure of the adduct formed between ribonuclease A and a cytotoxic gold(III) compound
Metallomics (ISSN: 1756-5901, 1756-591x), 2014; 6(2): 233-236.

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.

Mazzarella L, Merlino A, Vitagliano L, Verde C, Di Prisco G, Peisach J, Vergara A
Structural modifications induced by the switch from an endogenous bis-histidyl to an exogenous cyanomet hexa-coordination in a tetrameric haemoglobin
Rsc Adv (ISSN: 2046-2069, 2046-2069electronic), 2014; 4(49): 25852-25856.

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.

Sica F, Pica A, Merlino A, Russo Krauss I, Ercole C, Picone D
The multiple forms of bovine seminal ribonuclease: Structure and stability of a C-terminal swapped dimer
Febs Lett (ISSN: 0014-5793, 0014-5793print, 1873-3468electronic), 2013 Nov 29; 587(23): 3755-3762.

Cantisani M, Falanga A, Incoronato N, Russo L, De Simone A, Morelli G, Berisio R, Galdiero M, Galdiero S
Conformational modifications of gB from herpes simplex virus type 1 analyzed by synthetic peptides
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2013 Nov 14; 56(21): 8366-8376.

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.

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.

Balasco N, Esposito L, De Simone A, Vitagliano L
Role of loops connecting secondary structure elements in the stabilization of proteins isolated from thermophilic organisms
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic), 2013 Jul; 22(7): 1016-1023.

Madonna S, Scarponi C, Doti N, Carbone T, Cavani A, Scognamiglio PL, Marasco D, Albanesi C
Therapeutical potential of a peptide mimicking the SOCS1 kinase inhibitory region in skin immune responses
Eur J Immunol (ISSN: 0014-2980), 2013 Jul; 43(7): 1883-1895.

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.

Pennacchio A, Sannino V, Sorrentino G, Rossi M, Raia CA,  Esposito L
Biochemical and structural characterization of recombinant short-chain NAD(H)-dependent dehydrogenase/reductase from Sulfolobus acidocaldarius highly enantioselective on diaryl diketone benzil
Appl Microbiol Biot (ISSN: 0175-7598), 2013 May; 97(9): 1-16.

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.

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.

Causa F, Della Moglie R, Iaccino E, Mimmi S, Marasco D, Scognamiglio PL, Battista E, Palmieri C, Cosenza C, Sanguigno L, Quinto I, Scala G, Netti PA
Evolutionary screening and adsorption behavior of engineered M13 bacteriophage and derived dodecapeptide for selective decoration of gold interfaces
J Colloid Interface Sci (ISSN: 0021-9797, 1095-7103electronic, 0021-9797linking), 2013 Jan 1; 389(1): 220-229.

Carotenuto A, Cipolletta E, Gomez-Monterrey I, Sala M, Vernieri E, Limatola A, Bertamino A, Musella S, Sorriento D, Grieco P, Trimarco B, Novellino E, Iaccarino G, Campiglia P
Design, synthesis and efficacy of novel G protein-coupled receptor kinase 2 inhibitors
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 1768-3254electronic), 2013; 69: 384-392.

Balasco N, Esposito L, De Simone A, Vitagliano L
FOR the RECORD: Role of loops connecting secondary structure elements in the stabilization of proteins isolated from thermophilic organisms
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic), 2013; 22(7): 1016-1023.

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.

Berisio R, Vitagliano L
Polyproline and triple helix motifs in Host-Pathogen recognition
Curr Protein Pept Sci (ISSN: 1389-2037, 1389-2037linking), 2012 Dec; 13(8): 855-865.

Stanzione F, De Simone A,  Esposito L, Vitagliano L
Dynamical Properties of Steric Zipper Polymorphs Formed by a IAPP-Derived Peptide
Protein Pept Lett (ISSN: 0929-8665, 1875-5305), 2012 Sep; 19(8): 846-851.

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.

De Simone G, Supuran CT
(In)organic anions as carbonic anhydrase inhibitors
J Chem Res (ISSN: 0162-0134, 1873-3344, 0162-0134print), 2012 Jun; 111: 117-129.

Merlino A, Picone D, Ercole C, Balsamo A, Sica F
Chain termini cross-talk in the swapping process of bovine pancreatic ribonuclease
Biochimie (ISSN: 0300-9084, 1638-6183, 1638-6183electronic), 2012 May; 94(5): 1108-1118.

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.

Galdiero S, Russo L, Falanga A, Cantisani M, Vitiello M, Fattorusso R, Malgieri G, Galdiero M, Isernia C
Structure and Orientation of the gH625-644 Membrane Interacting Region of Herpes Simplex Virus Type 1 in a Membrane Mimetic System
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2012 Apr 10; 51(14): 3121-3128.

Pica A, Russo Krauss I, Castellano I, Rossi M, La Cara F, Graziano G, Sica F, Merlino A
Exploring The Unfolding Mechanism Of Gamma-Glutamyltranspeptidases: The Case Of The Thermophilic Enzyme From Geobacillus Thermodenitrificans
Bba-Gen Subjects (ISSN: 1570-9639, 0006-3002, 0925-4439), 2012 Apr; 1824(4): 571-577.

Sandomenico A, Russo A, Palmieri G, Bergamo P, Gogliettino M, Falcigno L, Ruvo M
Small peptide inhibitors of acetyl-peptide hydrolase having an uncommon mechanism of inhibition and a stable bent conformation
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2012 Mar 8; 55(5): 2102-2111.

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.

Russo Krauss I, Sica F, Mattia CA, Merlino A
Increasing the X-ray diffraction power of protein crystals by dehydration: the case of bovine serum albumin and a survey of literature data
Int J Mol Sc (ISSN: 1422-0067, 1661-6596, 1422-0067electronic), 2012 Mar; 13(3): 3782-3800.

Monti SM, Supuran CT, De Simone G
Carbonic anhydrase IX as a target for designing novel anticancer drugs
Curr Med Chem (ISSN: 0929-8673, 1875-533x, 1875-533xelectronic), 2012 Feb; 19(6): 821-830.

Monti SM, Maresca A, Viparelli F, Carta F, De Simone G, Muehlschlegel FA, Scozzafava A, Supuran CT
Dithiocarbamates are strong inhibitors of the beta-class fungal carbonic anhydrases from Cryptococcus neoformans, Candida albicans and Candida glabrata
Bioorg Med Chem Lett (ISSN: 0960-894x), 2012 Jan 15; 22(2): 859-862.

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.

Castellano I, Merlino A
γ-glutamyltranspeptidases: Sequence, structure, biochemical properties, and biotechnological applications
Cell Mol Life Sci (ISSN: 1420-682x), 2012; 69(20): 3381-3394.

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.

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, 1932-6203linking), 2011 Sep 16; 6(9): e24533-e24533.

Merlino A, Russo Krauss I, Albino A, Pica A, Vergara A, Masullo M, De Vendittis E, Sica F
Improving Protein Crystal Quality by the Without-Oil Microbatch Method: Crystallization and Preliminary X-ray Diffraction Analysis of Glutathione Synthetase from Pseudoalteromonas haloplanktis
Int J Mol Sc (ISSN: 1422-0067, 1661-6596, 1422-0067electronic), 2011 Sep; 12(9): 6312-6319.

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.

Russo Krauss I, Merlino A, Giancola C, Randazzo A, Mazzarella L, Sica F
Thrombin-aptamer recognition: a revealed ambiguity
Nucleic Acids Res (ISSN: 0305-1048, 1362-4962, 1362-4962electronic), 2011; 39(17): 7858-7867.

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, 1047-8477linking), 2010 Dec; 172(3): 343-352.

Pedone E, Limauro D, D'Ambrosio K, De Simone G, Bartolucci S
Multiple catalytically active thioredoxin folds: a winning strategy for many functions
Cell Mol Life Sci Cellular And Molecular Life Sciences (ISSN: 1420-682x), 2010 Nov; 67(22): 3797-3814.

Vergara A, Vitagliano L, Merlino A, Sica F, Marino K, Verde C, di Prisco G, Mazzarella L
An Order-Disorder Transition Plays a Role in Switching Off the Root Effect in Fish Hemoglobins
Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking), 2010 Oct 15; 285(42): 32568-32575.

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.

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.

Ruggiero A, Marasco D, Squeglia F, Soldini S, Pedone E, Pedone C, Berisio R
Structure and functional regulation of RipA, a mycobacterial enzyme essential for daughter cell separation
Structure (ISSN: 0969-2126, 1878-4186, 0969-2126linking), 2010 Sep 8; 18(9): 1184-1190.

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.

Alterio V, Aurilia V, Romanelli A, Parracino A, Saviano M, D'Auria S, De Simone G
Crystal structure of an S-formylglutathione hydrolase from pseudoalteromonas haloplanktis TAC125
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2010 Sep; 93(8): 669-677.

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.

Diana D, Ziaco B, Scarabelli G, Pedone C, Colombo G, D'Andrea LD, Fattorusso R
Structural analysis of a helical peptide unfolding pathway
Chemistry (ISSN: 1521-3765, 0947-6539, 1521-3765electronic), 2010 May 10; 16(18): 5400-5407.

Castellano I, Merlino A, Rossi M, La Cara F
Biochemical and structural properties of gamma-glutamyl transpeptidase from Geobacillus thermodenitrificans: An enzyme specialized in hydrolase activity
Biochimie (ISSN: 0300-9084, 1638-6183, 1638-6183electronic), 2010 May; 92(5): 464-474.

Guler OO, De Simone G, Supuran CT
Drug design studies of the novel antitumor targets carbonic anhydrase IX and XII
Curr Med Chem (ISSN: 0929-8673, 1875-533x, 1875-533xelectronic), 2010; 17(15): 1516-1526.

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.

Puglisi A, Rizzarelli E, Vecchio G, Iacovino R, Benedetti E, Pedone C, Saviano M
Crystal And Molecular Structure Of Beta-Cyclodextrins Functionalized With The Anti-Inflammatory Drug Etodolac
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2009 Dec; 91(12): 1227-1235.

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.

Vitagliano L, Stanzione F, De Simone A, Esposito L
Dynamics and Stability of Amyloid-Like Steric Zipper Assemblies with Hydrophobic Dry Interfaces
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2009 Dec; 91(12): 1161-1171.

Merlino A, Russo Krauss I, Perillo M, Mattia CA, Ercole C, Picone D, Vergara A, Sica F
Toward an Antitumor Form of Bovine Pancreatic Ribonuclease: The Crystal Structure of Three Noncovalent Dimeric Mutants
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2009 Dec; 91(12): 1029-1037.

Vitale RM, Alterio V, Innocenti A, Winum JY, Monti SM, De Simone G, Supuran CT
Carbonic anhydrase inhibitors. Comparison of aliphatic sulfamate/bis- sulfamate adducts with isozymes II and IX as a platform for designing tight-binding, more isoform-selective inhibitors
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2009 Oct 8; 52(19): 5990-5998.

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.

D'Ambrosio K, Limauro D, Pedone E, Galdi I, Pedone C, Bartolucci S, De Simone G
Insights into the catalytic mechanism of the Bcp family: functional and structural analysis of Bcp1 from Sulfolobus solfataricus
Proteins (ISSN: 1097-0134, 0887-3585, 1097-0134electronic), 2009 Sep; 76(4): 995-1006.

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.

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, Masullo M, Ruocco MR, Grimaldi P, Lanzotti MA, Arcari P, Zagari A, Vitagliano L
Structure and stability of a thioredoxin reductase from Sulfolobus solfataricus: A thermostable protein with two functions
Bba-Gen Subjects (ISSN: 1570-9639, 0006-3002, 0925-4439), 2009 Mar; 1794(3): 554-562.

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.

Merlino A, Avella G, Di Gaetano S, Arciello A, Piccoli R, Mazzarella L, Sica F
Structural features for the mechanism of antitumor action of a dimeric human pancreatic ribonuclease variant
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic, 0961-8368linking), 2009 Jan; 18(1): 50-57.

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.

Esposito L, Seydel A, Aiello R, Sorrentino G, Cendron L, Zanotti G, Zagari
The crystal structure of the superoxide dismutase from Helicobacter pylori reveals a structured C-terminal extension
Bba-Gen Subjects (ISSN: 1570-9639, 0006-3002, 0925-4439), 2008 Nov; 1784(11): 1601-1606.

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.

Vitagliano L, Vergara A, Bonomi G, Merlino A, Verde C, Di Prisco G, Howes BD, Smulevich G, Mazzarella L
Spectroscopic and crystallographic characterization of a tetrameric hemoglobin oxidation reveals structural features of the functional intermediate relaxed/tense state
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2008 Sep 13; 130(32): 10527-10535.

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.

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.

Daniele A, Cardillo G, Pennino C, Carbone MT, Scognamiglio D, Esposito L, Correra A, Castaldo G, Zagari A, Salvatore F
Five human phenylalanine hydroxylase proteins identified in mild hyperphenylalaninemia patients are disease-causing variants
Bba-Gen Subjects (ISSN: 0925-4439, 0006-3002, 1570-9639), 2008 Jun; 1782(6): 378-384.

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.

De Simone A, Pedone C, Vitagliano L
Structure, dynamics, and stability of assemblies of the human prion fragment SNQNNF
Biochem Biophys Res Commun (ISSN: 1090-2104, 0006-291x, 1090-2104electronic), 2008 Feb 15; 366(3): 800-806.

Merlino A, Ercole C, Picone D, Pizzo E, Mazzarella L, Sica F
The buried diversity of bovine seminal ribonuclease: Shape and cytotoxicity of the swapped non-covalent form of the enzyme
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2008 Feb 15; 376(2): 427-437.

Prato S, Vitale RM, Contursi P, Lipps G, Saviano M, Rossi M, Bartolucci S
Molecular modeling and functional characterization of the monomeric primase-polymerase domain from the Sulfolobus solfataricus plasmid pIT3
Febs J (ISSN: 1742-464x), 2008; 275(17): 4389-4402.

Merlino A, Verde C, Di Prisco G, Mazzarella L, Vergara A
Reduction of ferric hemoglobin from Trematomus bernacchii in a partial bis-histidyl state produces a deoxy coordination even when encapsulated into the crystal phase
Spectroscopy An International Journal (ISSN: 0712-4813), 2008; 22(2-3): 143-152.

Vergara A, Vitagliano L, Verde C, di Prisco G, Mazzarella L
Spectroscopic and crystallographic characterization of bis-histidyl adducts in tetrameric hemoglobins
Method Enzymol (ISSN: 0076-6879, 1557-7988electronic), 2008; 436: 425-444.

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.

Papa S, Monti SM, Vitale RM, Bubici C, Jayawardena S, Alvarez K, De Smaele E, Dathan N, Pedone C, Ruvo M, Franzoso G
Insights Into The Structural Basis Of The Gadd45beta-Mediated Inactivation Of The Jnk Kinase, Mkk7/Jnkk2
Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking), 2007 Jun 29; 282(26): 19029-19041.

Merlino A, Sica F, Mazzarella L
Approximate values for force constant and wave number associated with a low-frequency concerted motion in proteins can be evaluated by a comparison of X-ray structures
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2007 May 17; 111(19): 5483-5486.

Ragno R, Simeoni S, Castellano S, Vicidomini C, Mai A, Caroli A, Tramontano  A, Bonaccini C, Trojer P, Bauer I, Brosch G, Sbardella G
Small molecule inhibitors of histone arginine methyltransferases: Homology modeling, molecular docking, binding mode analysis, and biological evaluations
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2007 Mar 22; 50(6): 1241-1253.

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.

Pailot A, D'Ambrosio K, Corbier C, Talfournier F, Branlant G
Invariant Thr(244) is essential for the efficient acylation step of the non-phosphorylating glyceraldehyde-3-phosphate dehydrogenase from Streptococcus mutans
Biochem J (ISSN: 0264-6021, 1470-8728electronic, 0264-6021linking), 2006 Dec 15; 400: 521-530.

Mazzarella L, Vergara A, Vitagliano L, Merlino A, Bonomi G, Scala S, Verde C, Di Prisco G
High resolution crystal structure of deoxy hemoglobin from Trematomus bernacchii at different pH values: The role of histidine residues in modulating the strength of the root effect
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2006 Nov 1; 65(2): 490-498.

Berisio R, Corti N, Pfister P, Yonath A, Böttger EC
23S rRNA 2058A→G alteration mediates ketolide resistance in combination with deletion in L22
Antimicrob Agents Ch (ISSN: 0066-4804, 1098-6596), 2006 Nov; 50(11): 3816-3823.

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.

Esposito L, Pedone C, Vitagliano L
Molecular dynamics analyses of cross-beta-spine steric zipper models: beta-sheet twisting and aggregation
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2006 Sep 1; 103(31): 11533-11538.

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.

Del Gatto A, Zaccaro L, Grieco P, Novellino E, Zannetti A, Del Vecchio S, Iommelli F, Salvatore M, Pedone C, Saviano M
Novel And Selective Alpha (v) Beta3 Receptor Peptide Antagonist: Design, Synthesis, And Biological Behavior
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2006 Jun 1; 49(11): 3416-3420.

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.

Pedone E, D'Ambrosio K, De Simone G, Rossi M, Pedone C, Bartolucci S
Insights on a new PDI-like family: Structural and functional analysis of a protein disulfide oxidoreductase from the bacterium Aquifex aeolicus
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2006 Feb 10; 356(1): 155-164.

Mazzarella L, Bonomi G, Lubrano MC, Merlino A, Riccio A, Vergara A, Vitagliano L, Verde C, Di Prisco G
Minimal structural requirements for root effect: Crystal structure of the cathodic hemoglobin isolated from the Antarctic fish Trematomus newnesi
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2006 Feb 1; 62(2): 316-321.

De Capua A, Goodman M, Amino Y, Saviano M, Benedetti E
Conformation analysis of aspartame-based sweeteners by NMR spectroscopy, molecular dynamics simulations, and X-ray diffraction studies
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-7633electronic), 2006 Feb; 7(2): 377-387.

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.

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.

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.

Bucci E, Vitagliano L, Barone R, Sorrentino S, D'Alessio G, Graziano G
On the thermal stability of the two dimeric forms of ribonuclease
Biophys Chem (ISSN: 0301-4622, 0301-4622linking), 2005 Jul 1; 116(2): 89-95.

Amit M, Berisio R, Baram D, Harms J, Bashan A, Yonath A
A crevice adjoining the ribosome tunnel: Hints for cotranslational folding
Febs Lett (ISSN: 0014-5793, 0014-5793print, 1873-3468electronic), 2005 Jun 13; 579(15): 3207-3213.

Naddeo M, Vitagliano L, Russo A, Gotte G, D'Alessio G, Sorrentino S
Interactions of the cytotoxic RNase A dimers with the cytosolic ribonuclease inhibitor
Febs Lett (ISSN: 0014-5793, 0014-5793print, 1873-3468electronic), 2005 May 9; 579(12): 2663-2668.

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.

Benedetti E, Pedone C
Cyclolinopeptide A: inhibitor, immunosuppressor or other?
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2005 May; 11(5): 268-272.

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.

Tizzano B, Palladino P, De Capua A, Marasco D, Rossi F, Benedetti E, Pedone C, Ragone R, Ruvo M
The Human Prion Protein Alpha2 Helix: A Thermodynamic Study Of Its Conformational Preferences
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2005 Apr 1; 59(1): 72-79.

Esposito L, Daggett V
Insight into ribonuclease A domain swapping by molecular dynamics unfolding simulations
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2005 Mar 8; 44(9): 3358-3368.

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.

Di Costanzo L, Geremia S, Randaccio L, Nastri F, Maglio O, Lombardi A, Pavone V
Miniaturized heme proteins: crystal structure of Co(III)-mimochrome IV
J Biol Inorg Chem (ISSN: 0949-8257, 1432-1327electronic, 0949-8257print), 2004 Dec; 9(8): 1017-1027.

De Simone G, Menchise V, Alterio V, Mandrich L, Rossi M, Manco G, Pedone C
The crystal structure of an EST2 mutant unveils structural insights on the H group of the carboxylesterase/lipase family
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2004 Oct 8; 343(1): 137-146.

Sica F, Di Fiore A, Merlino A, Mazzarella L
Structure and stability of the non-covalent swapped dimer of bovine seminal ribonuclease - An enzyme tailored to evade ribonuclease protein inhibitor
Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking), 2004 Sep 27; 279(35): 36753-36760.

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.

Merlino A, Vitagliano L, Sica F, Zagari A, Mazzarella L
Population shift vs induced fit: The case of bovine seminal ribonuclease swapping dimer
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2004 Apr 15; 73(6): 689-695.

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.

Merlino A, Vitagliano L, Ceruso MA, Mazzarella L
Dynamic properties of the N-terminal swapped dimer of ribonuclease
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2004 Apr; 86(4): 2383-2391.

De Simone G, Mandrich L, Menchise V, Giordano V, Febbraio F, Rossi M, Pedone C, Manco G
A substrate-induced switch in the reaction mechanism of a thermophilic esterase - Kinetic evidences and structural basis
Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking), 2004 Feb 20; 279(8): 6815-6823.

Rossi F, Zanotti G, Saviano M, Iacovino R, Palladino P, Saviano G, Amodeo P, Tancredi T, Laccetti P, Corbier C, Benedetti E
New antitumour cyclic astin analogues: Synthesis, conformation and bioactivity
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2004 Feb; 10(2): 92-102.

Zarivach R, Bashan A, Berisio R, Harms J, Auerbach T, Schluenzen F, Bartels H, Baram D, Pyetan E, Sittner A, Amit M, Hansen HAS, Kessler M, Liebe C, Wolff A, Agmon I, Yonath A
Functional aspects of ribosomal architecture: Symmetry, chirality and regulation
J Phys Org Chem (ISSN: 0894-3230), 2004; 17(11): 901-912.

Vitagliano L, Ruggiero A, Masullo M, Cantiello P, Arcari P, Zagari A
The Crystal Structure Of Sulfolobus Solfataricus Elongation Factor 1 Alpha In Complex With Magnesium And Gdp
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2004; 43(21): 6630-6636.

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.

Berisio R, Sica F, De Lorenzo C, Di Fiore A, Piccoli R, Zagari A, Mazzarella L
Crystal Structure Of The Dimeric Un-Swapped Form Of Bovine Seminal Ribonuclease
Febs Lett (ISSN: 0014-5793, 0014-5793print, 1873-3468electronic), 2003 Nov 6; 554(1-2): 105-110.

Menchise V, De Simone G, Tedeschi T, Corradini R, Sforza S, Marchelli R, Capasso D, Saviano M, Pedone C
Insights into peptide nucleic acid (PNA) structural features: The crystal structure of a D-lysine-based chiral PNA-DNA duplex
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2003 Oct 14; 100(21): 12021-12026.

Merlino A, Vitagliano L, Ceruso MA, Mazzarella L
Subtle functional collective motions in pancreatic-like ribonucleases: From ribonuclease A to angiogenin
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2003 Oct 1; 53(1): 101-110.

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.

Berisio R, Harms J, Schluenzen F, Zarivach R, Hansen HAS, Fucini P, Yonath A
Structural insight into the antibiotic action of telithromycin against resistant mutants
J Bacteriol Journal Of Bacteriology (ISSN: 0021-9193, 1098-5530), 2003 Jul; 185(14): 4276-4279.

Berisio R, Schluenzen F, Harms J, Bashan A, Auerbach T, Baram D, Yonath A
Structural insight into the role of the ribosomal tunnel in cellular regulation
Nat Struct Biol (ISSN: 1072-8368), 2003 May; 10(5): 366-370.

Esposito L, Bruno I, Sica F, Raia CA, Giordano A, Rossi M, Mazzarella L, Zagari A
Structural study of a single-point mutant of Sulfolobus solfataricus alcohol dehydrogenase with enhanced activity
Febs Lett (ISSN: 0014-5793, 0014-5793print, 1873-3468electronic), 2003 Mar 27; 539(1-3): 14-18.

Isernia C, Bucci E, Leone M, Zaccaro L, Di Lello P, Digilio G, Esposito S, Saviano M, Di Blasio B, Pedone C, Pedone PV, Fattorusso R
NMR structure of the single QALGGH zinc finger domain from the Arabidopsis thaliana SUPERMAN protein
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-7633electronic), 2003 Mar 3; 4(2-3): 171-180.

Bashan A, Agmon I, Zarivach R, Schluenzen F, Harms J, Berisio R, Bartels H, Franceschi F, Auerbach T, Hansen HAS, Kossoy E, Kessler M, Yonath A
Structural basis of the ribosomal machinery for peptide bond formation, translocation, and nascent chain progression
Mol Cell (ISSN: 1097-2765, 1097-4164), 2003 Jan; 11(1): 91-102.

Main ERG, Xiong Y, Cocco MJ, D'Andrea LD, Regan L
Design of stable α-helical arrays from an idealized TPR motif
Structure (ISSN: 0969-2126, 1878-4186, 0969-2126linking), 2003; 11(5): 497-508.

Peggion C, Formaggio F, Crisma M, Toniolo C, Jimenez AI, Cativiela C, Kaptein B, Broxterman QB, Saviano M, Benedetti E
Folding of peptides characterized by c3Val, a highly constrained analogue of valine
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2003; 68(2): 178-191.

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.

Riccio A, Vitagliano L, Di Prisco G, Zagari A, Mazzarella L
The crystal structure of a tetrameric hemoglobin in a partial hemichrome state
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2002 Jul 23; 99(15): 9801-9806.

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.

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.

Berisio R, Vitagliano L, Mazzarella L, Zagari A
Crystal structure of the collagen triple helix model [(Pro-Pro-Gly)10]3
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic), 2002 Feb; 11(2): 262-270.

Improta R, Kudin KN, Scuseria GE, Barone V
Structure and magnetic properties of nitroxide molecular crystals by density functional calculations employing periodic boundary conditions
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2002 Jan 9; 124(1): 113-120.

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.

Berisio R, Sica F, Lamzin VS, Wilson KS, Zagari A, Mazzarella L
Atomic Resolution Structures Of Rnase A At Six Ph Values
Acta Crystallogr D Biol Crystallogr, 2002; N/D: 441-450.

Goodman M, Del Valle JR, Amino Y, Benedetti E
Molecular basis of sweet taste in dipeptide taste ligands
Pure Appl Chem (ISSN: 0033-4545), 2002; 74(7): 1109-1116.

De Simone G, Menchise V, Manco G, Mandrich L, Sorrentino N, Lang D, Rossi M, Pedone C
The crystal structure of a hyper-thermophilic carboxylesterase from the archaeon Archaeoglobus fulgidus
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2001 Nov 30; 314(3): 507-518.

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.

Vitagliano L, Masullo M, Sica F, Zagari A, Bocchini V
The crystal structure of Sulfolobus solfataricus elongation factor 1α in complex with GDP reveals novel features in nucleotide binding and exchange
Embo J (ISSN: 0261-4189, 0261-4189linking), 2001 Oct 1; 20(19): 5305-5311.

Vitagliano L, Berisio R, Mazzarella L, Zagari A
Structural bases of collagen stabilization induced by proline hydroxylation
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2001 Apr 15; 58(5): 459-464.

Garzillo AM, Colao MC, Buonocore V, Oliva R, Falcigno L, Saviano M, Santoro AM, Zappala R, Bonomo RP, Bianco C, Giardina P, Palmieri G, Sannia G
Structural and kinetic characterization of native laccases from Pleurotas ostreatus, Rigidoporus lignosus, and Trametes trogii
Journal Of Protein Chemistry (ISSN: 0277-8033), 2001 Apr; 20(3): 191-201.

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.

Romanelli A, Garella I, Menchise V, Iacovino R, Saviano M, Montesarchio D, Didierjean C, Lello PD, Rossi F, Benedetti E
Crystal-state conformation of Cα, α-dialkylated peptides containing chiral β-homo-residues
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2001; 7(1): 15-26.

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.

Carotenuto L, Berisio R, Piccolo C, Vitagliano L, Zagari A
Video observation of protein crystal growth in the advanced protein crystallization facility aboard the space shuttle mission STS-95
J Cryst Growth (ISSN: 0022-0248), 2001; 232(1-4): 481-488.

Orru S, Vitagliano L, Esposito L, Mazzarella L, Marino G, Ruoppolo M
Effect of deamidation on folding of ribonuclease
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic), 2000 Dec; 9(12): 2577-2582.

Esposito L, Vitagliano L, Zagari A, Mazzarella L
Experimental evidence for the correlation of bond distances in peptide groups detected in ultrahigh-resolution protein structures
Protein Eng (ISSN: 0269-2139, 0269-2139print, 0269-2139linking), 2000 Dec; 13(12): 825-828.

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.

Pavone V, Lombardi A, Saviano M, De Simone G, Nastri F, Maglio O, Omote Y, Yamanaka Y, Yamada T
Conformational behavior of C(α, α)-diphenyl glycine: Extended conformation in tripeptides containing consecutive Dφg residues
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2000 Feb; 53(2): 161-168.

De Simone G, Lombardi A, Galdiero S, Nastri F, Di Costanzo L, Gohda S, Sano A, Yamada T, Pavone V
The crystal structure of a Dcp-containing peptide
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2000 Feb; 53(2): 182-188.

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, Mazzarella L, Zagari A
Crystal Structure Of A Collagen-Like Polypeptide With Repeating Sequence Pro-Hyp-Gly At 1. 4 Ang Resolution: Implications For Collagen Hydration
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2000; 56(1): 8-13.

Impellizzeri G, Pappalardo G, D'Alessandro F, Rizzarelli E, Saviano M, Iacovino R, Benedetti E, Pedone C
Erratum: Solid state and solution conformation of 6-{4-[N-tert- butoxycarbonyl-N-(N'-ethyl)propanamide]imidazolyl}-6- deoxycyclomaltoheptaose: Evidence of self-inclusion of the boc group within the β-cyclodextrin cavity (European Journal of Organic Chemistry (2000) (1065-1076))
Eur J Org Chem (ISSN: 1434-193x), 2000; (12): 2345-2345.

ZagariA, Berisio R, Merlino A, Sica F, Vitagliano L, Mazzarella L
Reversible domain motions induced by substrate binding in ribonuclease
Acta Crystallographica Section A, 2000; 56: 263-263.

Impellizzeri G, Pappalardo G, D'Alessandro F, Rizzarelli E, Saviano M, Iacovino R, Benedetti E, Pedone C
Solid state and solution conformation of 6-{4-[N-tert-butoxycarbonyl-N- (N'-ethyl)propanamide]imidazolyl}-6-deoxycyclomaltoheptaose: Evidence of self-inclusion of the Boc group within the β-cyclodextrin cavity
European J Org Chem (ISSN: 1434-193x), 2000; (6): 1065-1076.

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.

Mazzarella L, D'Avino R, Di Prisco G, Savino C, Vitagliano L, Moody P, Zagari A
Crystal structure of Trematomus newnesi haemoglobin re-opens the Root effect question
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 1999 Apr 16; 287(5): 897-906.

Martínez JC, Viguera AR, Berisio R, Wilmanns M, Mateo PL, Filimonov VV, Serrano L
Thermodynamic analysis of α-spectrin SH3 and two of its circular permutants with different loop lengths: Discerning the reasons for rapid folding in proteins
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 1999 Jan 12; 38(2): 549-559.

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-hinunorm IV complex reveals a novel specificity site recognition mode
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic), 1999 Jan; 8(1): N/D-N/D.

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.

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.

Tabbì G, Driessen WL, Reedijk J, Veldman N, Spek AL
The nickel(II) complex of a new multidentate ligand containing both imidazole and pyrazole moieties
Inorg Chim Acta (ISSN: 0020-1693), 1999; 288(2): 239-243.

Bonomo RP, Boudet AM, Cozzolino R, Rizzarelli E, Santoro AM, Sterjiades R, Zappalà R
A comparative study of two isoforms of laccase secreted by the 'white- rot' fungus Rigidoporus lignosus, exhibiting significant structural and functional differences
J Chem Res (ISSN: 0162-0134, 1873-3344, 0162-0134print), 1998 Sep; 71(3-4): 205-211.

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.

Pavone V, De Simone G, Nastri F, Galdiero S, Staiano N, Lombardi A, Pedone C
Multiple binding mode of reversible synthetic thrombin inhibitors. A comparative structural analysis
Biol Chem Biological Chemistry (ISSN: 1431-6730, 1437-4315), 1998 Sep; 379(8-9): 987-1006.

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.

Zanotti G, Saviano M, Saviano G, Tancredi T, Rossi F, Pedone C, Benedetti E
Structure of cyclic peptides: the crystal and solution conformation of cyclo(Phe-Phe-Aib-Leu-Pro)
Journal Of Peptide Research (ISSN: 1397-002x), 1998 Jun; 51(6): 460-466.

Pavone V, Lombardi A, Saviano M, Nastri F, Zaccaro L, Maglio O, Pedone C, Omote Y, Yamanaka Y, Yamada T
Conformational Behaviour Of C (alpha, Alpha)-Diphenylglycine: Folded Vs. Extended Structures In Dphig-Containing Tripeptides
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 1998 Feb; 4(1): 21-32.

De Simone G, Lombardi A, Galdiero S, Nastri F, Della Morte R, Staiano N, Pedone C, Bolognesi M, Pavone V
Hirunorms Are True Hirudin Mimetics. The Crystal Structure Of Human Alpha-Thrombin-Hirunorm V Complex
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic), 1998 Feb; 7(2): 243-253.

Benedetti E, Iacovino R, Pedone C, Rossi F, Saviano M, Isernia C, Montesarchio D, DeNapoli L, Piccialli G
β-Amino acid residues: Conformational characterization of an N- and C-protected homo-β-(S)-leucine
Int J Pept Res Ther (ISSN: 0929-5666, 1573-3149), 1997 Jun; 4(3): 129-134.

Crisma M, Formaggio F, Valle G, Toniolo C, Saviano M, Iacovino R, Zaccaro L, Benedetti E
Experimental evidence at atomic resolution for intramolecular N- H···π (phenyl) interactions in a family of amino acid derivatives
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1997; 42(1): 1-6.

Adinolfi S, Piccoli R, Sica F, Mazzarella L
BS-RNase tetramers: An example of domain-swapped oligomers
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Di Blasio B, Galdiero S, Saviano M, Pedone C, Benedetti E, Rizzarelli E, Pedotti S, Vecchio G, Gibbons WA
Synthesis And Structural Characterization Of 6i, 6ii-Diamino-6i, 6ii-Dideoxy-Cyclomaltoheptaose, A Difunctionalized Beta-Cyclodextrin
Carbohydr Res, 1996 Feb 28; 282(1): 41-52.

Capasso S, Di Donato A, Esposito L, Sica F, Sorrentino G, Vitagliano L, Zagari A, Mazzarella L
Deamidation in proteins: The crystal structure of bovine pancreatic ribonuclease with an isoaspartyl residue at position 67
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Saviano M, Rossi F, Filizola M, Isernia C, Di Blasio B, Benedetti E, Pedone C, Siemion IZ, Pedyczak A
Bioactive peptides: conformational studies of [Tyr4] cyclolinopeptide
Biopolymers (ISSN: 0006-3525print, 0006-3525linking, 1097-0282electronic), 1995 Oct; 26(12): 453-460.

Di Blasio B, Saviano M, Del Duca V, De Simone G, Rossi F, Pedone C, Benedetti E, Lorenzi GP
CONFORMATIONAL STUDIES OF HETEROCHIRAL PEPTIDES WITH DIASTEREOISOMERIC RESIDUES - CRYSTAL AND MOLECULAR-STRUCTURES OF LINEAR DIPEPTIDES DERIVED FROM LEUCINE, ISOLEUCINE, AND ALLO-ISOLEUCINE
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1995 Oct; 36(4): 401-408.

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
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Rossi F, Saviano M, Di Blasio B, Zanotti G, Maione AM, Tancredi T, Pedone C
BIOACTIVE PEPTIDES - SOLID-STATE, SOLUTION AND MOLECULAR-DYNAMICS STUDIES OF A CYCLOLINOPEPTIDE-A RELATED CYSTINYL CYCLOPENTAPEPTIDE
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1994 Feb; 34(2): 273-284.

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
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PEARL L, DEMASI D, HEMMINGS A, SICA F, MAZZARELLA L, RAIA C, DAURIA S, ROSSI M
CRYSTALLIZATION AND PRELIMINARY-X-RAY ANALYSIS OF AN NAD+-DEPENDENT ALCOHOL-DEHYDROGENASE FROM THE EXTREME THERMOPHILIC ARCHAEBACTERIUM SULFOLOBUS-SOLFATARICUS
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Pavone V, Di Blasio B, Lombardi A, Maglio O, Isernia C, Pedone C, Benedetti E, Altmann E, Mutter M
Non coded C alpha, alpha-disubstituted amino acids. X-ray diffraction analysis of a dipeptide containing (S)-alpha-methylserine
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Di Blasio B, Pavone V, Nastri F, Isernia C, Saviano M, Pedone C, Cucinotta V, Impellizzeri G, Rizzarelli E, Vecchio G
Conformation for a β-cyclodextrin monosubstituted with a cyclic dipeptide
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Pavone V, Lombardi A, D'Auria G, Saviano M, Nastri F, Paolillo L, Di Blasio B, Pedone C
β-Alanine containing peptides: A novel molecular tool for the design of γ-turns
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Capasso S, Mazzarella L, Sica F, Zagari A
Solid-state conformations of aminosuccinyl peptides: crystal structure of tert-butyloxycarbonyl-L-leucyl-L-aminosuccinyl-L-phenylalaninami de
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