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AuthorTitleYearJournal/ProceedingsReftypeDOI/URL
Bernstein, H.J., Bollinger, J.C., Brown, I.D., Gražulis, S., Hester, J.R., McMahon, B., Spadaccini, N., Westbrook, J.D. & Westrip, S.P. Specification of the Crystallographic Information File format, version 2.0 2016 Journal of Applied Crystallography
Vol. 49(1), pp. 277-284 
article DOI URL 
Merkys, A., Vaitkus, A., Butkus, J., Okulič-Kazarinas, M., Kairys, V. & Gražulis, S. it COD::CIF::Parser: an error-correcting CIF parser for the Perl language 2016 Journal of Applied Crystallography
Vol. 49(1), pp. 292-301 
article DOI URL 
Dudutiene, V., Zubriene, A., Smirnov, A., Timm, D.D., Smirnoviene, J., Kazokaite, J., Michailoviene, V., Zaksauskas, A., Manakova, E., Grazulis, S. & Matulis, D. Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases 2015 Chemmedchem
Vol. 10(4), pp. 662-687 
article DOI  
Gražulis, S., Merkys, A., Vaitkus, A. & Okulič-Kazarinas, M. Computing stoichiometric molecular composition from crystal structures 2015 Journal of Applied Crystallography
Vol. 48, pp. 85-91 
article DOI URL 
Gražulis, S., Sarjeant, A.A., Moeck, P., Stone-Sundberg, J., Snyder, T.J., Kaminsky, W., Oliver, A.G., Stern, C.L., Dawe, L.N., Rychkov, D.A., Losev, E.A., Boldyreva, E.V., Tanski, J.M., Bernstein, J., Rabeh, W.M. & Kantardjieff, K.A. Crystallographic education in the 21st century 2015 Journal of Applied Crystallography
Vol. 48(6), pp. 1964-1975 
article DOI URL 
Zubriene, A., Smirnoviene, J., Smirnov, A., Morkiinaite, V., Michailoviene, V., Jachno, J., Juozapaitiene, V., Norvaigas, P., Manakova, E., Grazulis, S. & Matulis, D. Intrinsic thermodynamics of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide binding to carbonic anhydrases by isothermal titration calorimetry 2015 Biophysical Chemistry
Vol. 205, pp. 51-65 
article DOI  
Dudutiene, V., Matuliene, J., Smirnov, A., Timm, D.D., Zubriene, A., Baranauskiene, L., Morkunaite, V., Smirnoviene, J., Michailoviene, V., Juozapaitiene, V., Mickeviciute, A., Kazokaite, J., Baksyte, S., Kasiliauskaite, A., Jachno, J., Revuckiene, J., Kisonaite, M., Pilipuityte, V., Ivanauskaite, E., Milinaviciute, G., Smirnovas, V., Petrikaite, V., Kairys, V., Petrauskas, V., Norvaisas, P., Linge, D., Gibieza, P., Capkauskaite, E., Zaksauskas, A., Kazlauskas, E., Manakova, E., Grazulis, S., Ladbury, J.E. & Matulis, D. Discovery and Characterization of Novel Selective Inhibitors of Carbonic Anhydrase IX 2014 Journal of Medicinal Chemistry
Vol. 57(22), pp. 9435-9446 
article DOI  
Golovenko, D., Manakova, E., Zakrys, L., Zaremba, M., Sasnauskas, G., Grazulis, S. & Siksnys, V. Structural insight into the specificity of the B3 DNA-binding domains provided by the co-crystal structure of the C-terminal fragment of BfiI restriction enzyme 2014 Nucleic Acids Research
Vol. 42(6), pp. 4113-4122 
article DOI  
Kisonaite, M., Zubriene, A., Capkauskaite, E., Smirnov, A., Smirnoviene, J., Kairys, V., Michailoviene, V., Manakova, E., Grazulis, S. & Matulis, D. Intrinsic Thermodynamics and Structure Correlation of Benzenesulfonamides with a Pyrimidine Moiety Binding to Carbonic Anhydrases I, II, VII, XII, and XIII 2014 Plos One
Vol. 9(12), pp. e114106 
article DOI  
Matulis, D., Gylytė, J., Zubrienė, A., Dudutienė, V., Smirnov, A., Manakova, L. & Gražulis, S. Structure-Thermodynamics Correlations of Fluorinated Benzensulfonamides as Inhibitors of Human Carbonic Anhydrases 2014 Biophysical Journal
Vol. 106(2), pp. 262A 
article  
Rutkauskas, K., Zubriene, A., Tumosiene, I., Kantminiene, K., Kazemekaite, M., Smirnov, A., Kazokaite, J., Morkunaite, V., Capkauskaite, E., Manakova, E., Grazulis, S., Beresnevicius, Z.J. & Matulis, D. 4-Amino-substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases 2014 Molecules
Vol. 19(11), pp. 17356-17380 
article DOI  
Tamulaitiene, G., Silanskas, A., Grazulis, S., Zaremba, M. & Siksnys, V. Crystal structure of the R-protein of the multisubunit ATP-dependent restriction endonuclease NgoAVII 2014 Nucleic Acids Research
Vol. 42(22), pp. 14022-14030 
article DOI  
Capkauskaite, E., Zubriene, A., Smirnov, A., Torresan, J., Kisonaite, M., Kazokaite, J., Gylyte, J., Michailoviene, V., Jogaite, V., Manakova, E., Grazulis, S., Tumkevicius, S. & Matulis, D. Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII 2013 Bioorganic & Medicinal Chemistry
Vol. 21(22), pp. 6937-6947 
article DOI  
Dudutiene, V., Zubriene, A., Smirnov, A., Gylyte, J., Timm, D., Manakova, E., Grazulis, S. & Matulis, D. 4-Substituted-2,3,5,6-tetrafluorobenzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, XII, and XIII 2013 Bioorganic & Medicinal Chemistry
Vol. 21(7), pp. 2093-2106 
article DOI  
Matulis, D., Capkauskaite, E., Zubriene, A., Baranauskiene, L., Tamulaitiene, G., Manakova, E., Kairys, V., Grazulis, S. & Tumkevicius, S. Design, Synthesis, Binding, Crystallography, and Docking of [(2-Pyrimidinylthio) Acetyl] Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases 2013 Biophysical Journal
Vol. 104(2), pp. 558A-559A 
article  
Timm, D., Zubriene, A., Gylyte, J., Dudutiene, V., Smirnov, A., Manakova, E., Grazulis, S. & Matulis, D. Thermodynamics of inhibitor binding to several recombinant carbonic anhydrases isoforms 2013 Febs Journal
Vol. 280, pp. 148 
article  
Zubriene, A., Dudutiene, V., Smirnov, A., Timm, D., Gylyte, J., Manakova, E., Grazulis, S. & Matulis, D. Thermodynamics of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamides binding to carbonic anhydrase isozymes 2013 European Biophysics Journal With Biophysics Letters
Vol. 42, pp. S185 
article  
Capkauskaite, E., Zubriene, A., Baranauskiene, L., Tamulaitiene, G., Manakova, E., Kairys, V., Grazulis, S., Tumkevicius, S. & Matulis, D. Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases 2012 European Journal of Medicinal Chemistry
Vol. 51, pp. 259-270 
article DOI  
Gražulis, S., Daškevič, A., Merkys, A., Chateigner, D., Lutterotti, L., Quirós, M., Serebryanaya, N.R., Moeck, P., Downs, R.T. & Le Bail, A. Crystallography Open Database (COD): an open-access collection of crystal structures and platform for world-wide collaboration 2012 Nucleic Acids Research
Vol. 40(D1), pp. D420-D427 
article DOI URL 
Manakova, E., Golovenko, D., Grazulis, S., Zaremba, M. & Siksnys, V. Structural mechanism of cognate DNA recognition by the BfiI restriction enzyme 2012 Febs Journal
Vol. 279, pp. 446-447 
article  
Manakova, E., Grazulis, S., Zaremba, M., Tamulaitiene, G., Golovenko, D. & Siksnys, V. Structural mechanisms of the degenerate sequence recognition by Bse634I restriction endonuclease 2012 Nucleic Acids Research
Vol. 40(14), pp. 6741-6751 
article DOI  
Pepponi, G., Gražulis, S. & Chateigner, D. MPOD: A Material Property Open Database linked to structural information 2012 Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms
Vol. 284(0), pp. 10 - 14 
article DOI URL 
Sukackaite, R., Grazulis, S., Tamulaitis, G. & Siksnys, V. The recognition domain of the methyl-specific endonuclease McrBC flips out 5-methylcytosine 2012 Nucleic Acids Research
Vol. 40(15), pp. 7552-7562 
article DOI  
Baranauskiene, L., Hilvo, M., Matuliene, J., Golovenko, D., Manakova, E., Dudutiene, V., Michailoviene, V., Torresan, J., Jachno, J., Parkkila, S., Maresca, A., Supuran, C., Gražulis, S. & Matulis, D. Inhibition and binding studies of carbonic anhydrase isozymes I, II and IX with benzimidazo[1,2-c][1,2,3]thiadiazole-7-sulphonamides 2010 Enzyme Inhib. Med. Chem.
Vol. 25(6), pp. 863-870 
article DOI  
Čapkauskaitė, E., Baranauskienė, L., Golovenko, D., Manakova, E., Gražulis, S., Tumkevičius, S. & Matulis, D. Indapamide-like benzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, and XIII. 2010 Bioorg Med Chem
Vol. 18(21), pp. 7357-7364 
article DOI URL 
Gražulis, S., Butkus, J., Downs, R., Olozábal, M.Q. & Bail, A.L. Software for maintaining and expanding the Crystallography Open Database 2010 Acta Crystallogr. A
Vol. 66, pp. s313 
article  
Sūdžius, J., Baranauskienė, L., Golovenko, D., Matulienė, J., Michailovienė, V., Torresan, J., Jachno, J., Sukackaitė, R., Manakova, E., Gražulis, S., Tumkevičius, S. & Matulis, D. 4-[N-(substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII. 2010 Bioorg Med Chem
Vol. 18(21), pp. 7413-7421 
article DOI URL 
Golovenko, D., Manakova, E., Tamulaitiene, G., Grazulis, S. & Siksnys, V. Structural mechanisms for the 5'-CCWGG sequence recognition by the N- and C-terminal domains of EcoRII. 2009 Nucleic Acids Res
Vol. 37(19), pp. 6613-6624 
article DOI URL 
Gražulis, S., Chateigner, D., Downs, R.T., Yokochi, A.F.T., Quirós, M., Lutterotti, L., Manakova, E., Butkus, J., Moeck, P. & Le Bail, A. Crystallography Open Database -- an open-access collection of crystal structures 2009 Journal of Applied Crystallography
Vol. 42(4), pp. 726-729 
article DOI URL 
Bartolucci, C., Lamba, D., Grazulis, S., Manakova, E. & Heumann, H. Crystal structure of wild-type chaperonin GroEL (vol 354, pg 940, 2005) 2008 Journal of Molecular Biology
Vol. 380(4), pp. 775 
article DOI  
Sukackaite, R., Grazulis, S., Bochtler, M. & Siksnys, V. The recognition domain of the BpuJI restriction endonuclease in complex with cognate DNA at 1.3-A resolution. 2008 J Mol Biol
Vol. 378(5), pp. 1084-1093 
article DOI URL 
Bochtler, M., Szczepanowski, R.H., Tamulaitis, G., Grazulis, S., Czapinska, H., Manakova, E. & Siksnys, V. Nucleotide flips determine the specificity of the Ecl18kI restriction endonuclease. 2006 EMBO J
Vol. 25(10), pp. 2219-2229 
article DOI URL 
Tamulaitiene, G., Jakubauskas, A., Urbanke, C., Huber, R., Grazulis, S. & Siksnys, V. The crystal structure of the rare-cutting restriction enzyme SdaI reveals unexpected domain architecture. 2006 Structure
Vol. 14(9), pp. 1389-1400 
article DOI URL 
Bartolucci, C., Lamba, D., Grazulis, S., Manakova, E. & Heumann, H. Crystal structure of wild-type chaperonin GroEL. 2005 J Mol Biol
Vol. 354(4), pp. 940-951 
article DOI URL 
Grazulis, S., Manakova, E., Roessle, M., Bochtler, M., Tamulaitiene, G., Huber, R. & Siksnys, V. Structure of the metal-independent restriction enzyme BfiI reveals fusion of a specific DNA-binding domain with a nonspecific nuclease. 2005 Proc Natl Acad Sci U S A
Vol. 102(44), pp. 15797-15802 
article DOI URL 
Neely, R.K., Daujotyte, D., Grazulis, S., Magennis, S.W., Dryden, D.T.F., Klimasauskas, S. & Jones, A.C. Time-resolved fluorescence of 2-aminopurine as a probe of base flipping in M.HhaI-DNA complexes. 2005 Nucleic Acids Res
Vol. 33(22), pp. 6953-6960 
article DOI URL 
Tamulaitiene, G., Grazulis, S., Janulaitis, A., Janowski, R., Bujacz, G. & Jaskolski, M. Crystallization and preliminary crystallographic studies of a bifunctional restriction endonuclease Eco57I. 2004 Biochim Biophys Acta
Vol. 1698(2), pp. 251-254 
article DOI URL 
Grazulis, S., Deibert, M., Rimseliene, R., Skirgaila, R., Sasnauskas, G., Lagunavicius, A., Repin, V., Urbanke, C., Huber, R. & Siksnys, V. Crystal structure of the Bse634I restriction endonuclease: comparison of two enzymes recognizing the same DNA sequence. 2002 Nucleic Acids Res
Vol. 30(4), pp. 876-885 
article DOI  
Deibert, M., Grazulis, S., Sasnauskas, G., Siksnys, V. & Huber, R. Structure of the tetrameric restriction endonuclease NgoMIV in complex with cleaved DNA. 2000 Nat Struct Biol
Vol. 7(9), pp. 792-799 
article DOI URL 
Deibert, M., Grazulis, S., Janulaitis, A., Siksnys, V. & Huber, R. Crystal structure of MunI restriction endonuclease in complex with cognate DNA at 1.7 A resolution. 1999 EMBO J
Vol. 18(21), pp. 5805-5816 
article DOI URL 
Siksnys, V., Skirgaila, R., Sasnauskas, G., Urbanke, C., Cherny, D., Grazulis, S. & Huber, R. The Cfr10I restriction enzyme is functional as a tetramer. 1999 J Mol Biol
Vol. 291(5), pp. 1105-1118 
article DOI URL 
Skirgaila, R., Grazulis, S., Bozic, D., Huber, R. & Siksnys, V. Structure-based redesign of the catalytic/metal binding site of Cfr10I restriction endonuclease reveals importance of spatial rather than sequence conservation of active centre residues. 1998 J Mol Biol
Vol. 279(2), pp. 473-481 
article DOI URL 
Lagunavicius, A., Grazulis, S., Balciunaite, E., Vainius, D. & Siksnys, V. DNA binding specificity of MunI restriction endonuclease is controlled by pH and calcium ions: involvement of active site carboxylate residues. 1997 Biochemistry
Vol. 36(37), pp. 11093-11099 
article DOI URL 
Bozic, D., Grazulis, S., Siksnys, V. & Huber, R. Crystal structure of Citrobacter freundii restriction endonuclease Cfr10I at 2.15 A resolution. 1996 J Mol Biol
Vol. 255(1), pp. 176-186 
article DOI URL 

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