Carbohydrate recognition by RpfB from mycobacterium tuberculosis unveiled by crystallographic and molecular dynamics analyses(432 views) Squeglia F, Romano M, Ruggiero A, Vitagliano L, De Simone A, Berisio R
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2013 Jun 4; 104(11): 2530-2539.
Keywords: Bacterial Protein, Enzyme Inhibitor, Ligand, Article, Carbohydrate Metabolism, Chemistry, Drug Antagonism, Enzyme Active Site, Molecular Dynamics, Mycobacterium Tuberculosis, Protein Binding, X Ray Crystallography, Catalytic Domain, X-Ray, Molecular Dynamics Simulation, Bacterial Proteins Antagonists, Inhibitors Chemistry Metabolism, Enzyme Inhibitors Metabolism,
Affiliations: *** IBB - CNR ***
Institute of Biostructures and Bioimaging, C.N.R., Naples, Italy
Department of Chemistry, University of Naples Federico II, Napoli, Italy
Seconda Università di Napoli, Caserta, Italy
Division of Molecular Biosciences, Imperial College London, United Kingdom
Seconda Universit di Napoli, Caserta, Italy
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Migliori, G. B., De Iaco, G., Cirillo, D. M., First tuberculosis cases in Italy resistant to all tested drugs (2007) Euro. Surveill., 12. , E070517. 1
Kaufmann, S. H., McMichael, A. J., Annulling a dangerous liaison: Vaccination strategies against AIDS and tuberculosis (2005) Nat. Med., 11 (SUPPL. 4), pp. 33-S44
Kell, D. B., Young, M., Bacterial dormancy and culturability: The role of autocrine growth factors (2000) Curr. Opin. Microbiol., 3, pp. 238-243
Mukamolova, G. V., Turapov, O. A., Young, M., A family of autocrine growth factors in Mycobacterium tuberculosis (2002) Mol. Microbiol., 46, pp. 623-635
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Tufariello, J. M., Mi, K., Chan, J., Deletion of the Mycobacterium tuberculosis resuscitation-promoting factor Rv1009 gene results in delayed reactivation from chronic tuberculosis (2006) Infect. Immun., 74, pp. 2985-2995
Phillips, D. C., The hen egg white lysozyme molecule (1967) Proc. Natl. Acad. Sci. USA, 57, pp. 483-495
Koshland, D. E., Stereochemistry and mechanism of enzymatic reactions (1953) Biol. Rev. Camb. Philos. Soc., 28, pp. 416-436
Vocadlo, D. J., Davies, G. J., Withers, S. G., Catalysis by hen egg-white lysozyme proceeds via a covalent intermediate (2001) Nature, 412, pp. 835-838
Murshudov, G. N., Vagin, A. A., Dodson, E. J., Refinement of macromolecular structures by the maximum-likelihood method (1997) Acta Crystallogr. D Biol. Crystallogr., 53, pp. 240-255
Morris, R. J., Perrakis, A., Lamzin, V. S., ARP/wARP and automatic interpretation of protein electron density maps (2003) Methods Enzymol., 374, pp. 229-244
Kirschner, K. N., Yongye, A. B., Woods, R. J., GLYCAM06: A generalizable biomolecular force field. Carbohydrates (2008) J. Comput. Chem., 29, pp. 622-655
Laskowski, R. A., Macarthur, M. W., Thornton, J. M., PROCHECK: A program to check the stereochemical quality of protein structures (1993) J. Appl. Cryst., 26, pp. 283-291
Peri -Hassler, L., Hansen, H. S., H nenberger, P. H., Conformational properties of glucose-based disaccharides investigated using molecular dynamics simulations with local elevation umbrella sampling (2010) Carbohydr. Res., 345, pp. 1781-1801
Asensio, J. L., Arda, A., Jimenez-Barbero, J., Carbohydrate-aromatic interactions (2013) Acc. Chem. Res., 46, pp. 946-954
Mazza, M. G., Stokely, K., Franzese, G., More than one dynamic crossover in protein hydration water (2011) Proc. Natl. Acad. Sci. USA, 108, pp. 19873-19878
Meroueh, S. O., Bencze, K. Z., Mobashery, S., Three-dimensional structure of the bacterial cell wall peptidoglycan (2006) Proc. Natl. Acad. Sci. USA, 103, pp. 4404-4409
Kana, B. D., Gordhan, B. G., Mizrahi, V., The resuscitation-promoting factors of Mycobacterium tuberculosis are required for virulence and resuscitation from dormancy but are collectively dispensable for growth in vitro (2008) Mol. Microbiol., 67, pp. 672-684
Carbohydrate recognition by RpfB from mycobacterium tuberculosis unveiled by crystallographic and molecular dynamics analyses