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enzyme active site
66
"Local frustration around enzyme active sites" (2019) Freiberger, M.I.;Brenda Guzovsky, A.;Wolynes, P.G. (...)Ferreiro, D.U. Proceedings of the National Academy of Sciences of the United States of America. 116(10):4037-4043
"Structural and mechanistic comparison of the Cyclopropane Mycolic Acid Synthases (CMAS) protein family of Mycobacterium tuberculosis" (2018) Defelipe, L.A.; Osman, F.; Marti, M.A.; Turjanski, A.G. Biochemical and Biophysical Research Communications. 498(2):288-295
"The druggable pocketome of Corynebacterium diphtheriae: A new approach for in silico putative druggable targets" (2018) Hassan, S.S.;Jamal, S.B.;Radusky, L.G. (...)Azevedo, V.A.C. Frontiers in Genetics. 9(FEB)
"Mechanism of the Reaction of Human Manganese Superoxide Dismutase with Peroxynitrite: Nitration of Critical Tyrosine 34" (2016) Demicheli, V.;Moreno, D.M.;Jara, G.E. (...)Radi, R. Biochemistry. 55(24):3403-3417
"Multiple isoforms for the catalytic subunit of PKA in the basal fungal lineage Mucor circinelloides" (2016) Fernández Núñez, L.;Ocampo, J.;Gottlieb, A.M. (...)Moreno, S. Fungal Biology. 120(12):1493-1508
"Recognition-driven assembly of self-limiting supramolecular protein nanoparticles displaying enzymatic activity" (2015) Piccinini, E.; Pallarola, D.; Battaglini, F.; Azzaroni, O. Chemical Communications. 51(79):14754-14757
"Active Site Structure and Peroxidase Activity of Oxidatively Modified Cytochrome c Species in Complexes with Cardiolipin" (2015) Capdevila, D.A.;Oviedo Rouco, S.;Tomasina, F. (...)Murgida, D.H. Biochemistry. 54(51):7491-7504
"Active Site Structure and Peroxidase Activity of Oxidatively Modified Cytochrome c Species in Complexes with Cardiolipin" (2015) Capdevila, D.A.;Oviedo Rouco, S.;Tomasina, F. (...)Murgida, D.H. Biochemistry. 54(51):7491-7504
"Enzymatic synthesis of bile acid derivatives and biological evaluation against Trypanosoma cruzi" (2015) García Liñares, G.;Antonela Zígolo, M.;Simonetti, L. (...)Baldessari, A. Bioorganic and Medicinal Chemistry. 23(15):4804-4814
"Bridging Theory and Experiment to Address Structural Properties of Truncated Haemoglobins: Insights from Thermobifida fusca HbO" (2015) Howes, B.D.;Boechi, L.;Boffi, A. (...)Smulevich, G. Advances in microbial physiology. 67:85-126
"Synthesis and cholinesterase inhibition of cativic acid derivatives" (2014) Alza, N.P.;Richmond, V.;Baier, C.J. (...)Murray, A.P. Bioorganic and Medicinal Chemistry. 22(15):3838-3849
"Regulation of PKA activity by an autophosphorylation mechanism in Saccharomyces cerevisiae" (2014) Solari, C.A.;Tudisca, V.;Pugliessi, M. (...)Portela, P. Biochemical Journal. 462(3):567-579
"Induction and persistence of large γh2AX foci by high linear energy transfer radiation in DNA-dependent protein kinase-deficient cells" (2013) Bracalente, C.;Ibañez, I.L.;Molinari, B. (...)Durán, H. International Journal of Radiation Oncology Biology Physics. 87(4):785-794
"H-bonding networks of the distal residues and water molecules in the active site of Thermobifida fusca hemoglobin" (2013) Nicoletti, F.P.;Droghetti, E.;Howes, B.D. (...)Smulevich, G. Biochimica et Biophysica Acta - Proteins and Proteomics. 1834(9):1901-1909
"The key role of water in the dioxygenase function of Escherichia coli flavohemoglobin" (2013) Ferreiro, D.N.; Boechi, L.; Estrin, D.A.; Martí, M.A. Journal of Inorganic Biochemistry. 119:75-84
"Coordination of peroxide to the CuM center of peptidylglycine α-hydroxylating monooxygenase (PHM): Structural and computational study" (2013) Rudzka, K.;Moreno, D.M.;Eipper, B. (...)Amzel, L.M. Journal of Biological Inorganic Chemistry. 18(2):223-232
"The activation loop of PKA catalytic isoforms is differentially phosphorylated by Pkh protein kinases in Saccharomyces cerevisiae" (2012) Haesendonckx, S.;Tudisca, V.;Voordeckers, K. (...)Portela, P. Biochemical Journal. 448(3):307-320
"A two-stage model for lipid modulation of the activity of integral membrane proteins" (2012) Dodes Traian, M.M.; Cattoni, D.I.; Levi, V.; González Flecha, F.L. PLoS ONE. 7(6)
"Exploring the molecular basis of human manganese superoxide dismutase inactivation mediated by tyrosine 34 nitration" (2011) Moreno, D.M.;Martí, M.A.;De Biase, P.M. (...)Boechi, L. Archives of Biochemistry and Biophysics. 507(2):304-309
"P38γ activation triggers dynamical changes in allosteric docking sites" (2011) Rodriguez Limardo, R.G.;Ferreiro, D.N.;Roitberg, A.E. (...)Turjanski, A.G. Biochemistry. 50(8):1384-1395
"Characterization of substrates that have a differential effect on Saccharomyces cerevisiae protein kinase A holoenzyme activation" (2010) Galello, F.; Portela, P.; Moreno, S.; Rossi, S. Journal of Biological Chemistry. 285(39):29770-29779
"Protein phosphatases type 2A mediate tuberization signaling in Solanum tuberosum L. leaves" (2010) País, S.M.; García, M.N.M.; Téllez-Iñón, M.T.; Capiati, D.A. Planta. 232(1):37-49
"2-C-Methyluridine modified hammerhead ribozyme against the estrogen receptor" (2010) Pontiggia, R.;Pontiggia, O.;Simian, M. (...)Iribarren, A.M. Bioorganic and Medicinal Chemistry Letters. 20(9):2806-2808
"Unraveling the molecular basis for ligand binding in truncated hemoglobins: The trHbO Bacillus subtilis case" (2010) Boechi, L.;Mañez, P.A.;Javier Luque, F. (...)Estrin, D.A. Proteins: Structure, Function and Bioinformatics. 78(4):962-970
"Inhibitory effect of quercetin on matrix metalloproteinase 9 activity Molecular mechanism and structure-activity relationship of the flavonoid-enzyme interaction" (2010) Saragusti, A.C.;Ortega, M.G.;Cabrera, J.L. (...)Chiabrando, G.A. European Journal of Pharmacology. 644(1-3):138-145
"Resonance Raman study of the superoxide reductase from Archaeoglobus fulgidus, E12 mutants and a 'natural variant'" (2009) Todorovic, S.;Rodrigues, J.V.;Pinto, A.F. (...)Murgida, D.H. Physical Chemistry Chemical Physics. 11(11):1809-1815
"Glucosidase II β subunit modulates N-glycan trimming in fission yeasts and mammals" (2009) Stigliano, I.D.;Caramelo, J.J.;Labriola, C.A. (...)D'Alessio, C. Molecular Biology of the Cell. 20(17):3974-3984
"Role of pre-A motif in nitric oxide scavenging by truncated hemoglobin, HbN, of Mycobacterium tuberculosis" (2009) Lama, A.;Pawaria, S.;Bidon-Chanal, A. (...)Dikshit, K.L. Journal of Biological Chemistry. 284(21):14457-14468
"How mitogen-activated protein kinases recognize and phosphorylate their targets: A QM/MM study" (2009) Turjanski, A.G.; Hummer, G.; Gutkind, J.S. Journal of the American Chemical Society. 131(17):6141-6148
"The catalytic domain of insulin-degrading enzyme forms a denaturant-resistant complex with amyloid β peptide: Implications for Alzheimer disease pathogenesis" (2008) Llovera, R.E.;De Tullio, M.;Alonso, L.G. (...)Castaño, E.M. Journal of Biological Chemistry. 283(25):17039-17048
"A novel activating effect of the regulatory subunit of protein kinase A on catalytic subunit activity" (2008) Rinaldi, J.; Ocampo, J.; Rossi, S.; Moreno, S. Archives of Biochemistry and Biophysics. 480(2):95-103
"Mucor rouxii Rho1 protein; characterization and possible role in polarized growth" (2007) Argimón, S.;Galello, F.;Pereyra, E. (...)Moreno, S. Antonie van Leeuwenhoek, International Journal of General and Molecular Microbiology. 91(3):237-251
"Characterization of the farnesyl pyrophosphate synthase of Trypanosoma cruzi by homology modeling and molecular dynamics" (2006) Sigman, L.; Sánchez, V.M.; Turjanski, A.G. Journal of Molecular Graphics and Modelling. 25(3):345-352
"Two distinct heme distal site states define Cerebratulus lacteus mini-hemoglobin oxygen affinity" (2006) Martí, M.A.;Bikiel, D.E.;Crespo, A. (...)Estrin, D.A. Proteins: Structure, Function and Genetics. 62(3):641-648
"TcPDE4, a novel membrane-associated cAMP-specific phosphodiesterase from Trypanosoma cruzi" (2006) Alonso, G.D.; Schoijet, A.C.; Torres, H.N.; Flawiá, M.M. Molecular and Biochemical Parasitology. 145(1):40-49
"Abnormal kinetic behavior of uroporphyrinogen decarboxylase obtained from rats with hexachlorobenzene-induced porphyria" (2005) Chaufan, G.;Corvi, M.M.;San Martín De Viale, L.C. (...)Ríos De Molina, M.D.C. Journal of Biochemical and Molecular Toxicology. 19(1):19-24
"Theoretical study of the truncated hemoglobin HbN: Exploring the molecular basis of the NO detoxification mechanism" (2005) Crespo, A.;Martí, M.A.;Kalko, S.G. (...)Estrin, D.A. Journal of the American Chemical Society. 127(12):4433-4444
"Multiple-steering QM-MM calculation of the free energy profile in chorismate mutase" (2005) Crespo, A.; Martí, M.A.; Estrin, D.A.; Roitberg, A.E. Journal of the American Chemical Society. 127(19):6940-6941
"Activity and stability of hammerhead ribozymes containing 2′-C-methyluridine: A new RNA mimic" (2005) Gallo, M.; Far, R.K.-K.; Sczakiel, G.; Iribarren, A.M. Chemistry and Biodiversity. 2(2):198-204
"Sequence Determinants of Quaternary Structure in Lumazine Synthase" (2004) Fornasari, M.S.;Laplagne, D.A.;Frankel, N. (...)Echave, J. Molecular Biology and Evolution. 21(1):97-107
"Optimization of a culture medium for ligninolytic enzyme production and synthetic dye decolorization using response surface methodology" (2003) Trupkin, S.; Levin, L.; Forchiassin, F.; Viale, A. Journal of Industrial Microbiology and Biotechnology. 30(12):682-690
"Modulation of the NO trans effect in heme proteins: Implications for the activation of soluble guanylate cyclase" (2003) Martí, M.A.;Scherlis, D.A.;Doctorovich, F.A. (...)Estrin, D.A. Journal of Biological Inorganic Chemistry. 8(6):595-600
"A novel calcium-stimulated adenylyl cyclase from Trypanosoma cruzi, which interacts with the structural flagellar protein paraflagellar rod" (2002) D'Angelo, M.A.;Montagna, A.E.;Sanguineti, S. (...)Flawiá, M.M. Journal of Biological Chemistry. 277(38):35025-35034
"Rat kidney porphobilinogen deaminase kinetics: Detection of enzyme-substrate complexes" (2002) Noriega, G.; Mattei, G.; Batlle, A.; Juknat, A.A. International Journal of Biochemistry and Cell Biology. 34(10):1230-1240
"In vivo and in vitro phosphorylation of two isoforms of yeast pyruvate kinase by protein kinase A" (2002) Portela, P.; Howell, S.; Moreno, S.; Rossi, S. Journal of Biological Chemistry. 277(34):30477-30487
"Protein kinase A activity in permeabilized cells as an approximation to in vivo activity" (2001) Sorol, M.R.;Pereyra, E.;Mizyrycki, C. (...)Moreno, S. Experimental Cell Research. 271(2):337-343
"Histamine H2 receptor desensitization: Involvement of a select array of G protein-coupled receptor kinases" (2001) Shayo, C.;Fernandez, N.;Legnazzi, B.L. (...)Davio, C. Molecular Pharmacology. 60(5):1049-1056
"Structural and functional analysis of the cAMP binding domain from the regulatory subunit of Mucor rouxii protein kinase A" (2000) Sorol, M.R.;Pastori, R.L.;Muro, A. (...)Rossi, S. Archives of Biochemistry and Biophysics. 382(2):173-181
"Nitric oxide binding to ferric cytochrome P450: A computational study" (2000) Scherlis, D.A.; Cymeryng, C.B.; Estrin, D.A. Inorganic Chemistry. 39(11):2352-2359
"Porphyria-induced hepatic porphyrinogen carboxy-lyase inhibitor and its interaction with the active site(s) of the enzyme" (1999) De Catabbi, S.B.;De Calmanovici, R.W.;Minutolo, C. (...)De Viale, L.C.S.M. Biochemistry and Molecular Biology International. 47(6):945-956
"Sequence and structure of the rat housekeeping PBG-D isoform" (1998) Cardalda, C.A.; Batlle, A.; Juknat, A.A. Biochemical and Biophysical Research Communications. 249(2):438-443
"Dexamethasone up-regulates mRNA for Na+,K+-ATPase in some spinal cord neurones after cord transection" (1996) Gonzalez, S.;Grillo, C.;Gonzalez Deniselle, M.C. (...)De Nicola, A.F. NeuroReport. 7(5):1041-1044
"Evidence of an essential lysine in pig liver 5-aminolevulinic acid dehydratase" (1995) Sopena De Kracoff, Y.E.; de Sancovich, A.M.F.; Sancovich, H.A. International Journal of Biochemistry and Cell Biology. 27(12):1331-1339
"Studies on the active centre of rat liver porphyrinogen carboxylyase in vivo effect of hexachlorobenzene" (1991) De Catabbi, S.B.; De Molina, M.D.C.R.; De Viale, L.C.S.M. International Journal of Biochemistry. 23(7-8):675-679
"Further evidence for an essential histidyl residue at the active site of pig liver 5-aminolevulinic acid dehydratase" (1990) Fukuda, H.;Dopera De Kracoff, Y.E.;Inigo, L.E. (...)Batlle, A.M.C. Journal of Enzyme Inhibition and Medicinal Chemistry. 3(4):295-302