Langella E, Alterio V, D'Ambrosio K, Cadoni R, Winum JY, Supuran CT, Monti SM, De Simone G, Di Fiore A

Exploring benzoxaborole derivatives as carbonic anhydrase inhibitors: a structural and computational analysis reveals their conformational variability as a tool to increase enzyme selectivity
J Enzyme Inhib Med Chem (ISSN: 1475-6366linking), 2019 Dec; 34(1): 1498-1505.

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.

Buemi MR, Di Fiore A, De Luca L, Angeli A, Mancuso F, Ferro S, Monti SM, Buonanno M, Russo E, De Sarro G, De Simone G, Supuran CT, Gitto R

Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety
Eur J Med Chem (ISSN: 1768-3254electronic, 0223-5234linking), 2019 Feb 1; 163: 443-452.

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.

Merlino A, Marzo T, Messori L

Protein Metalation by Anticancer Metallodrugs: A Joint ESI MS and XRD Investigative Strategy
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2017 May 23; 23(29): 6942-6947.

Vullo D, Supuran CT, Scozzafava A, De Simone G, Monti SM, Alterio V, Carta F

Kinetic and X-ray crystallographic investigations of substituted 2-thio-6-oxo-1, 6-dihydropyrimidine-benzenesulfonamides acting as carbonic anhydrase inhibitors
Bioorg Med Chem (ISSN: 0968-0896, 1464-3391), 2016 Aug 15; 24(16): 3643-3648.

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.

Berisio R, Squeglia F, Ruggiero A, Petraccone L, Stellato MI, Del Vecchio P

Differential thermodynamic behaviours of the extra-cellular regions of two Ser/Thr PrkC kinases revealed by calorimetric studies
Bba-Gen Subjects (ISSN: 0925-4439, 0006-3002, 1570-9639), 2015 Feb 8; 1854(5): 402-409.

Ceruso M, Carta F, Osman SM, Alothman Z, Monti SM, Supuran CT

Inhibition studies of bacterial, fungal and protozoan β-class carbonic anhydrases with Schiff bases incorporating sulfonamide moieties
Bioorg Med Chem (ISSN: 0968-0896, 1464-3391), 2015; 23(15): 4181-4187.

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.

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.

Chi M-C, Lo Y-H, Chen Y-Y, Lin L-L, Merlino A

γ-Glutamyl transpeptidase architecture: Effect of extra sequence deletion on autoprocessing, structure and stability of the protein from Bacillus licheniformis
Bba-Gen Subjects (ISSN: 0925-4439, 0006-3002, 1570-9639), 2014; 1844(12): 2290-2297.

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.

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.

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.

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.

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.

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.

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.

Esposito L, Ruggiero A, Masullo M, Ruocco MR, Lamberti A, Arcari P, Zagari A, Vitagliano L

Crystallographic and spectroscopic characterizations of Sulfolobus solfataricus TrxA1 provide insights into the determinants of thioredoxin fold stability
J Struct Biol (ISSN: 1047-8477), 2012 Feb; 177(2): 506-512.

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.

Squeglia F, Marchetti R, Ruggiero A, Lanzetta R, Marasco D, Dworkin J, Petoukhov M, Molinaro A, Berisio R, Silipo A

Chemical basis of peptidoglycan discrimination by PrkC, a key kinase involved in bacterial resuscitation from dormancy
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2011 Dec 28; 133(51): 20676-20679.

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.

Castellano I, Di Salle A, Merlino A, Rossi M, La Cara F

Gene cloning and protein expression of γ-glutamyltranspeptidases from Thermus thermophilus and Deinococcus radiodurans: Comparison of molecular and structural properties with mesophilic counterparts
Extremophiles (ISSN: 1431-0651, 1433-4909, 1433-4909electronic), 2011; 15(2): 259-270.

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.

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), 2010 Sep 8; 18(9): 1184-1190.

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.

De Simone G, Supuran CT

Carbonic anhydrase IX: Biochemical and crystallographic characterization of a novel antitumor target
Bba-Mol Basis Dis (ISSN: 1570-9639, 0006-3002, 0925-4439), 2010 Feb; 1804(2): 404-409.

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.

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, Masullo M, Marasco D, Ruocco MR, Grimaldi P, Arcari P, Zagari A, Vitagliano L

The dimeric structure of Sulfolobus solfataricus thioredoxin A2 and the basis of its thermostability
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2009 Dec; 77(4): 1004-1008.

Bellia F, Calabrese V, Guarino F, Cavallaro M, Cornelius C, De Pinto V, Rizzarelli E

Carnosinase levels in aging brain: redox state induction and cellular stress response
Antioxid Redox Signal (ISSN: 1557-7716, 1523-0864), 2009 Nov; 11(11): 2759-2775.

Wekselman I, Davidovich C, Agmon I, Zimmerman E, Rozenberg H, Bashan A, Berisio R, Yonath A

Ribosome's mode of function: Myths, facts and recent results
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2009 Mar; 15(3): 122-130.

Limauro D, Saviano M, Galdi I, Rossi M, Bartolucci S, Pedone E

Sulfolobus solfataricus protein disulphide oxidoreductase: insight into the roles of its redox sites
Protein Engineering Design & Selection (ISSN: 1741-0126), 2009 Jan; 22(1): 19-26.

Alterio V, Di Fiore A, D'Ambrosio K, Supuran CT, De Simone G

X-Ray Crystallography of Carbonic Anhydrase Inhibitors and Its Importance in Drug Design
Drug Des Of Zinc Enzyme Inhibitors (ISSN: 9780-4702, 9780-470275009), 2009; N/D: 73-138.

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.

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.

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.

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.

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.

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.

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.

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, Zagari A, Mazzarella L

Pyramidalization of backbone carbonyl carbon atoms in proteins
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic), 2000 Oct; 9(10): 2038-2042.