Catalytic Role of the Substrate Defines Specificity of Therapeutic l-Asparaginase.
暂无分享,去创建一个
J. Weinstein | D. Rogers | Preeti Purwaha | P. Lorenzi | S. Rempe | S. Sukharev | J. Vanegas | A. Anishkin | W. Chan
[1] D. Rogers,et al. Dispersion- and Exchange-Corrected Density Functional Theory for Sodium Ion Hydration. , 2015, Journal of chemical theory and computation.
[2] J. Weinstein,et al. Targeted metabolomic analysis of amino acid response to L-asparaginase in adherent cells , 2014, Metabolomics.
[3] J. Weinstein,et al. The glutaminase activity of L-asparaginase is not required for anticancer activity against ASNS-negative cells. , 2013, Blood.
[4] P. Fernandes,et al. Unraveling the enigmatic mechanism of L-asparaginase II with QM/QM calculations. , 2013, Journal of the American Chemical Society.
[5] Jeng-Da Chai,et al. Long-Range Corrected Hybrid Density Functionals with Improved Dispersion Corrections. , 2012, Journal of chemical theory and computation.
[6] P. Carloni,et al. Local Fluctuations and Conformational Transitions in Proteins. , 2012, Journal of chemical theory and computation.
[7] J. Helliwell,et al. Protonation-state determination in proteins using high-resolution X-ray crystallography: effects of resolution and completeness. , 2012, Acta crystallographica. Section D, Biological crystallography.
[8] K. Musier-Forsyth,et al. Substrate and enzyme functional groups contribute to translational quality control by bacterial prolyl-tRNA synthetase. , 2012, The journal of physical chemistry. B.
[9] Jeng-Da Chai,et al. Long-range corrected hybrid meta-generalized-gradient approximations with dispersion corrections. , 2012, The Journal of chemical physics.
[10] Jan H. Jensen,et al. Improved Treatment of Ligands and Coupling Effects in Empirical Calculation and Rationalization of pKa Values. , 2011, Journal of chemical theory and computation.
[11] D. Bowler,et al. Van der Waals density functionals applied to solids , 2011, 1102.1358.
[12] Jan H. Jensen,et al. PROPKA3: Consistent Treatment of Internal and Surface Residues in Empirical pKa Predictions. , 2011, Journal of chemical theory and computation.
[13] G. Robert,et al. Targeting autophagy to fight hematopoietic malignancies , 2010, Cell cycle.
[14] Kyuho Lee,et al. Higher-accuracy van der Waals density functional , 2010, 1003.5255.
[15] M. Manns,et al. Changes in plasma amino acids during extracorporeal liver support by fractionated plasma separation and adsorption. , 2010, Artificial organs.
[16] D. Bowler,et al. Chemical accuracy for the van der Waals density functional , 2009, Journal of physics. Condensed matter : an Institute of Physics journal.
[17] L. Chiarelli,et al. Helicobacter pyloril-asparaginase: a promising chemotherapeutic agent. , 2008, Biochemical and biophysical research communications.
[18] M. Head‐Gordon,et al. Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections. , 2008, Physical chemistry chemical physics : PCCP.
[19] Edward G Hohenstein,et al. Assessment of the Performance of the M05-2X and M06-2X Exchange-Correlation Functionals for Noncovalent Interactions in Biomolecules. , 2008, Journal of chemical theory and computation.
[20] Jan H. Jensen,et al. Very fast prediction and rationalization of pKa values for protein–ligand complexes , 2008, Proteins.
[21] J. Weinstein,et al. Asparagine synthetase is a predictive biomarker of l-asparaginase activity in ovarian cancer cell lines , 2008, Molecular Cancer Therapeutics.
[22] S. Rempe,et al. On "the complete basis set limit" and plane-wave methods in first-principles simulations of water. , 2008, Physical chemistry chemical physics : PCCP.
[23] S. Nikonov,et al. Three-dimensional structures of L-asparaginase from Erwinia carotovora complexed with aspartate and glutamate. , 2008, Acta crystallographica. Section D, Biological crystallography.
[24] T. Anthony,et al. Alanyl-glutamine consumption modifies the suppressive effect of L-asparaginase on lymphocyte populations in mice. , 2008, The Journal of nutrition.
[25] D. Truhlar,et al. The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals , 2008 .
[26] Donald G Truhlar,et al. Density functionals with broad applicability in chemistry. , 2008, Accounts of chemical research.
[27] A. Murdoch. Cloning , 2007, Ethics & Medics.
[28] R. Heath,et al. Crystal structure and allosteric regulation of the cytoplasmic Escherichia coli L-asparaginase I. , 2007, Journal of molecular biology.
[29] D. Durden,et al. Role of Glutamine Depletion in Directing Tissue-specific Nutrient Stress Responses to L-Asparaginase* , 2006, Journal of Biological Chemistry.
[30] Laxmikant V. Kalé,et al. Scalable molecular dynamics with NAMD , 2005, J. Comput. Chem..
[31] Jan H. Jensen,et al. Very fast empirical prediction and rationalization of protein pKa values , 2005, Proteins.
[32] Georgia A. Kotzia,et al. Cloning, expression and characterisation of Erwinia carotovora L-asparaginase. , 2005, Journal of biotechnology.
[33] D. Wheatley. Arginine deprivation and metabolomics: important aspects of intermediary metabolism in relation to the differential sensitivity of normal and tumour cells. , 2005, Seminars in cancer biology.
[34] J. Kress,et al. Ab initio molecular dynamics and quasichemical study of H+(aq). , 2005, Proceedings of the National Academy of Sciences of the United States of America.
[35] Conrad C. Huang,et al. UCSF Chimera—A visualization system for exploratory research and analysis , 2004, J. Comput. Chem..
[36] Alexander D. MacKerell,et al. Extending the treatment of backbone energetics in protein force fields: Limitations of gas‐phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations , 2004, J. Comput. Chem..
[37] Weitao Yang,et al. The protein backbone makes important contributions to 4-oxalocrotonate tautomerase enzyme catalysis: understanding from theory and experiment. , 2004, Biochemistry.
[38] N. Sokolov,et al. One‐step purification and kinetic properties of the recombinant l‐asparaginase from Erwinia carotovora , 2004, Biotechnology and applied biochemistry.
[39] P. Gaynon,et al. Changes of amino acid serum levels in pediatric patients with higher-risk acute lymphoblastic leukemia (CCG-1961). , 2004, In vivo.
[40] Igor Polikarpov,et al. Structural comparison of Escherichia coli L-asparaginase in two monoclinic space groups. , 2003, Acta crystallographica. Section D, Biological crystallography.
[41] A. Wlodawer,et al. Do bacterial L-asparaginases utilize a catalytic triad Thr-Tyr-Glu? , 2001, Biochimica et biophysica acta.
[42] M. Kilberg,et al. Asparagine synthetase expression alone is sufficient to induce l-asparaginase resistance in MOLT-4 human leukaemia cells. , 2001, The Biochemical journal.
[43] M. Cohen,et al. Outcomes of treatment of children and adolescents with recurrent non-Hodgkin's lymphoma and Hodgkin's disease with dexamethasone, etoposide, cisplatin, cytarabine, and l-asparaginase, maintenance chemotherapy, and transplantation: Children's Cancer Group Study CCG-5912. , 2001, Journal of clinical oncology : official journal of the American Society of Clinical Oncology.
[44] A Wlodawer,et al. Structural basis for the activity and substrate specificity of Erwinia chrysanthemi L-asparaginase. , 2001, Biochemistry.
[45] R. Gelber,et al. Improved outcome for children with acute lymphoblastic leukemia: results of Dana-Farber Consortium Protocol 91-01. , 2001, Blood.
[46] M. Bocola,et al. Dynamics of a mobile loop at the active site of Escherichia coli asparaginase. , 2000, Biochimica et biophysica acta.
[47] L. Lebioda,et al. Reactions of Pseudomonas 7A glutaminase-asparaginase with diazo analogues of glutamine and asparagine result in unexpected covalent inhibitions and suggests an unusual catalytic triad Thr-Tyr-Glu. , 2000, Biochemistry.
[48] G. Kresse,et al. From ultrasoft pseudopotentials to the projector augmented-wave method , 1999 .
[49] H. Müller,et al. Use of L-asparaginase in childhood ALL. , 1998, Critical reviews in oncology/hematology.
[50] Alexander D. MacKerell,et al. All-atom empirical potential for molecular modeling and dynamics studies of proteins. , 1998, The journal of physical chemistry. B.
[51] K. Burke,et al. Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)] , 1997 .
[52] Burke,et al. Generalized Gradient Approximation Made Simple. , 1996, Physical review letters.
[53] Kresse,et al. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. , 1996, Physical review. B, Condensed matter.
[54] A. Wlodawer,et al. Crystal structure and amino acid sequence of Wolinella succinogenes L-asparaginase. , 1996, European journal of biochemistry.
[55] A. Wlodawer,et al. A covalently bound catalytic intermediate in Escherichia coli asparaginase : Crystal structure of a Thr‐89‐Val mutant , 1996, FEBS letters.
[56] B. Mannervik,et al. Involvement of the carboxyl groups of glutathione in the catalytic mechanism of human glutathione transferase A1-1. , 1996, Biochemistry.
[57] Hafner,et al. Ab initio molecular dynamics for liquid metals. , 1995, Physical review. B, Condensed matter.
[58] M. Frisch,et al. Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields , 1994 .
[59] C. Derst,et al. States and functions of tyrosine residues in Escherichia coli asparaginase II. , 1994, European journal of biochemistry.
[60] Hafner,et al. Ab initio molecular-dynamics simulation of the liquid-metal-amorphous-semiconductor transition in germanium. , 1994, Physical review. B, Condensed matter.
[61] R. Chidambaram,et al. Carboxyl group hydrogen bonding in X‐ray protein structures analysed using neutron studies on amino acids , 1993, FEBS letters.
[62] A. Becke. Density-functional thermochemistry. III. The role of exact exchange , 1993 .
[63] M. Jaskólski,et al. Crystal structure of Escherichia coli L-asparaginase, an enzyme used in cancer therapy. , 1993, Proceedings of the National Academy of Sciences of the United States of America.
[64] C. Derst,et al. Probing the role of threonine and serine residues of E. coli asparaginase II by site-specific mutagenesis. , 1992, Protein engineering.
[65] I. Beacham,et al. Site-specific mutagenesis of Escherichia coli asparaginase II. None of the three histidine residues is required for catalysis. , 1992, European journal of biochemistry.
[66] K. Röhm,et al. A catalytic role for threonine‐12 of E. coli asparaginase II as established by site‐directed mutagenesis , 1991, FEBS letters.
[67] J. Ross,et al. L-asparaginase from Erwinia carotovora. An improved recovery and purification process using affinity chromatography. , 1989, Applied biochemistry and biotechnology.
[68] E. Roth,et al. Asparaginase‐induced derangements of glutamine metabolism: the pathogenetic basis for some drug‐related side‐effects , 1988, European journal of clinical investigation.
[69] Parr,et al. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. , 1988, Physical review. B, Condensed matter.
[70] A. Bendich,et al. Enzyme-induced asparagine and glutamine depletion and immune system function. , 1983, The American journal of clinical nutrition.
[71] R. Warrell,et al. Clinical evaluation of succinylated Acinetobacter glutaminase-asparaginase in adult leukemia. , 1982, Cancer treatment reports.
[72] J. Howard,et al. L-asparaginase from Erwinia carotovora. Substrate specificity and enzymatic properties. , 1972, Journal of Biological Chemistry.
[73] J. H. Schwartz,et al. L-asparaginase II of Escherichia coli. Studies on the enzymatic mechanism of action. , 1971, The Journal of biological chemistry.
[74] H. Kay,et al. L-Asparaginase in Treatment of Acute Leukaemia and Lymphosarcoma , 1970, British medical journal.
[75] L. Chiarelli,et al. Expanding targets for a metabolic therapy of cancer: L-asparaginase. , 2012, Recent patents on anti-cancer drug discovery.
[76] L. Chiarelli,et al. Expanding Targets for a Metabolic Therapy of Cancer: L-Asparaginase , 2012 .
[77] Yan Zhao,et al. Density Functionals for Noncovalent Interaction Energies of Biological Importance. , 2007, Journal of chemical theory and computation.
[78] Joost VandeVondele,et al. The influence of temperature and density functional models in ab initio molecular dynamics simulation of liquid water. , 2005, The Journal of chemical physics.
[79] E. Panosyan,et al. Pharmacokinetic/Pharmacodynamic Relationships of Asparaginase Formulations , 2005, Clinical pharmacokinetics.
[80] I. Chaiken,et al. L-Asparaginase from Erwinia carotovora , 2003 .
[81] J. Neglia,et al. A randomized comparison of native Escherichia coli asparaginase and polyethylene glycol conjugated asparaginase for treatment of children with newly diagnosed standard-risk acute lymphoblastic leukemia: a Children's Cancer Group study. , 2002, Blood.
[82] Eric Jones,et al. SciPy: Open Source Scientific Tools for Python , 2001 .
[83] C. Derst,et al. Engineering the substrate specificity of Escherichia coli asparaginase II. Selective reduction of glutaminase activity by amino acid replacements at position 248 , 2000, Protein science : a publication of the Protein Society.
[84] Stefan Schleper. Kinetische Untersuchungen und Modellstudien zur Funktion essentieller Reste im aktiven Zentrum der L-Asparaginase II aus E. coli , 1999 .
[85] A. Becke. Density-functional thermochemistry. , 1996 .
[86] D. Bonthron. L-asparaginase II of Escherichia coli K-12: cloning, mapping and sequencing of the ansB gene. , 1990, Gene.
[87] K. Röhm,et al. The 18O isotope effect in 13C nuclear magnetic resonance spectroscopy: mechanistic studies on asparaginase from Escherichia coli. , 1986, Archives of biochemistry and biophysics.
[88] H. Gutfreund,et al. Enzyme kinetics , 1975, Nature.