Crystal structure and molecular dynamics studies of purine nucleoside phosphorylase from Mycobacterium tuberculosis associated with acyclovir.
暂无分享,去创建一个
W. F. de Azevedo | L. A. Basso | D. Santos | R. A. Caceres | R. G. Ducati | L. F. Timmers | D. C. N. da Silva | L. F. S. M. Timmers
[1] A. Villela,et al. Purine Salvage Pathway in Mycobacterium tuberculosis. , 2011, Current medicinal chemistry.
[2] L. A. Basso,et al. Purine Nucleoside Phosphorylase as a Molecular Target to Develop Active Compounds Against Mycobacterium Tuberculosis , 2010 .
[3] W. F. de Azevedo,et al. Crystallographic and docking studies of purine nucleoside phosphorylase from Mycobacterium tuberculosis. , 2010, Bioorganic & medicinal chemistry.
[4] D. Bhattacharyya,et al. Why pyridine containing pyrido[2,3-d]pyrimidin-7-ones selectively inhibit CDK4 than CDK2: insights from molecular dynamics simulation. , 2010, Journal of molecular graphics & modelling.
[5] W. F. de Azevedo,et al. Crystal structure and molecular dynamics studies of human purine nucleoside phosphorylase complexed with 7-deazaguanine. , 2010, Journal of structural biology.
[6] L. A. Basso,et al. Substrate specificity and kinetic mechanism of purine nucleoside phosphorylase from Mycobacterium tuberculosis. , 2009, Archives of biochemistry and biophysics.
[7] Walter Filgueira de Azevedo,et al. Molecular modeling, dynamics and docking studies of purine nucleoside phosphorylase from Streptococcus pyogenes. , 2009, Biophysical Chemistry.
[8] Walter Filgueira de Azevedo,et al. Structural studies of human purine nucleoside phosphorylase: towards a new specific empirical scoring function. , 2008, Archives of biochemistry and biophysics.
[9] W. F. de Azevedo,et al. Molecular modeling and dynamics simulations of PNP from Streptococcus agalactiae. , 2008, Bioorganic & medicinal chemistry.
[10] Carsten Kutzner,et al. GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation. , 2008, Journal of chemical theory and computation.
[11] Michael J. Keiser,et al. Relating protein pharmacology by ligand chemistry , 2007, Nature Biotechnology.
[12] W. Parker,et al. Purine metabolism in Mycobacterium tuberculosis as a target for drug development. , 2007, Current pharmaceutical design.
[13] M. Parrinello,et al. Canonical sampling through velocity rescaling. , 2007, The Journal of chemical physics.
[14] L. A. Basso,et al. The resumption of consumption -- a review on tuberculosis. , 2006, Memorias do Instituto Oswaldo Cruz.
[15] Gerrit Groenhof,et al. GROMACS: Fast, flexible, and free , 2005, J. Comput. Chem..
[16] C. Dye,et al. Tuberculosis control in the era of HIV , 2005, Nature Reviews Immunology.
[17] W. V. Gunsteren,et al. Validation of the 53A6 GROMOS force field , 2005, European Biophysics Journal.
[18] W. F. de Azevedo,et al. New catalytic mechanism for human purine nucleoside phosphorylase. , 2005, Biochemical and biophysical research communications.
[19] D. McRee. Differential evolution for protein crystallographic optimizations. , 2004, Acta crystallographica. Section D, Biological crystallography.
[20] J. H. Pereira,et al. Crystallographic structure of PNP from Mycobacterium tuberculosis at 1.9A resolution. , 2004, Biochemical and biophysical research communications.
[21] S. Yokoyama,et al. Crystal structure of purine nucleoside phosphorylase from Thermus thermophilus. , 2004, Journal of molecular biology.
[22] Walter Filgueira de Azevedo,et al. Crystal structure of human purine nucleoside phosphorylase complexed with acyclovir. , 2003, Biochemical and biophysical research communications.
[23] Walter Filgueira de Azevedo,et al. Crystal structure of human purine nucleoside phosphorylase at 2.3A resolution. , 2003, Biochemical and biophysical research communications.
[24] J Navaza,et al. Implementation of molecular replacement in AMoRe. , 2001, Acta crystallographica. Section D, Biological crystallography.
[25] R. Furneaux,et al. Structures of purine nucleoside phosphorylase from Mycobacterium tuberculosis in complexes with immucillin-H and its pieces. , 2001, Biochemistry.
[26] R. Furneaux,et al. Purine nucleoside phosphorylase from Mycobacterium tuberculosis. Analysis of inhibition by a transition-state analogue and dissection by parts. , 2001, Biochemistry.
[27] B. Hess,et al. Similarities between principal components of protein dynamics and random diffusion , 2000, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics.
[28] W. Saenger,et al. Crystal structure of the purine nucleoside phosphorylase (PNP) from Cellulomonas sp. and its implication for the mechanism of trimeric PNPs. , 1999, Journal of molecular biology.
[29] B. Barrell,et al. Deciphering the biology of Mycobacterium tuberculosis from the complete genome sequence , 1998, Nature.
[30] C. Mao,et al. The crystal structure of Escherichia coli purine nucleoside phosphorylase: a comparison with the human enzyme reveals a conserved topology. , 1997, Structure.
[31] Berk Hess,et al. LINCS: A linear constraint solver for molecular simulations , 1997, J. Comput. Chem..
[32] D. M. F. Aalten,et al. PRODRG, a program for generating molecular topologies and unique molecular descriptors from coordinates of small molecules , 1996, J. Comput. Aided Mol. Des..
[33] K Schulten,et al. VMD: visual molecular dynamics. , 1996, Journal of molecular graphics.
[34] J M Thornton,et al. LIGPLOT: a program to generate schematic diagrams of protein-ligand interactions. , 1995, Protein engineering.
[35] Collaborative Computational,et al. The CCP4 suite: programs for protein crystallography. , 1994, Acta crystallographica. Section D, Biological crystallography.
[36] H. Berendsen,et al. Essential dynamics of proteins , 1993, Proteins.
[37] T. Darden,et al. Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems , 1993 .
[38] J. Thornton,et al. PROCHECK: a program to check the stereochemical quality of protein structures , 1993 .
[39] C. Breneman,et al. Determining atom‐centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis , 1990 .
[40] A. Bzowska,et al. Properties of Purine Nucleoside Phosphorylase (PNP) of Mammalian and Bacterial Origin , 1990, Zeitschrift fur Naturforschung. C, Journal of biosciences.
[41] T. Straatsma,et al. THE MISSING TERM IN EFFECTIVE PAIR POTENTIALS , 1987 .
[42] H. Berendsen,et al. Molecular dynamics with coupling to an external bath , 1984 .
[43] T A Krenitsky,et al. Effects of acyclovir and its metabolites on purine nucleoside phosphorylase. , 1984, The Journal of biological chemistry.
[44] Kalckar Hm. Differential spectrophotometry of purine compounds by means of specific enzymes; determination of hydroxypurine compounds. , 1947 .
[45] S. Ealick,et al. Structural analyses reveal two distinct families of nucleoside phosphorylases. , 2002, The Biochemical journal.
[46] N. Guex,et al. SWISS‐MODEL and the Swiss‐Pdb Viewer: An environment for comparative protein modeling , 1997, Electrophoresis.
[47] K. Jensen. Purine-nucleoside phosphorylase from Salmonella typhimurium and Escherichia coli. Initial velocity kinetics, ligand banding, and reaction mechanism. , 1976, European Journal of Biochemistry.
[48] K. Jensen. Purine‐Nucleoside Phosphorylase from Salmonella typhimurium and Escherichia coli , 1976 .
[49] H. Kalckar. Differential spectrophotometry of purine compounds by means of specific enzymes; determination of hydroxypurine compounds. , 1947, The Journal of biological chemistry.