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ligand binding

"Fluorinated oxysterol analogues: Synthesis, molecular modelling and LXRβ activity" (2017) Rodriguez, C.R.;Alvarez, L.D.;Dansey, M.V. (...)Burton, G. Journal of Steroid Biochemistry and Molecular Biology. 165:268-276

"Impact of human galectin-1 binding to saccharide ligands on dimer dissociation kinetics and structure" (2016) Romero, J.M.;Trujillo, M.;Estrin, D.A. (...)Di Lella, S. Glycobiology. 26(12):1317-1327

"21-hydroxy-6,19-epoxyprogesterone: A promising therapeutic agent and a molecular tool for deciphering glucocorticoid action" (2016) Pecci, A.; Alvarez, L.D.; Presman, D.M.; Burton, G. Mini-Reviews in Medicinal Chemistry. 16

"Editorial: Immunophilins, protein chemistry and cell biology of a promising new class of drug targets – Part I" (2016) Galigniana, M.D. Current Molecular Pharmacology. 9(1):3-4

"C(16)-C(22) oxygen-bridged analogues of ceDAF-12 and LXR ligands" (2016) Del Fueyo, M.C.;Dansey, M.V.;Paolo, L.S. (...)Burton, G. Steroids. 112:109-114

"Structural Plasticity in Globins: Role of Protein Dynamics in Defining Ligand Migration Pathways" (2016) Estarellas, C.;Capece, L.;Seira, C. (...)Christov C.Z. Advances in Protein Chemistry and Structural Biology. 105:59-80

"Fluctuations, correlations and the estimation of concentrations inside cells" (2016) Ipiña, E.P.; Dawson, S.P. PLoS ONE. 11(3)

"Binding of the substrate UDP-glucuronic acid induces conformational changes in the xanthan gum glucuronosyltransferase" (2016) Salinas, S.R.;Petruk, A.A.;Brukman, N.G. (...)Ielpi, L. Protein Engineering, Design and Selection. 29(6):197-207

"The estrogen receptor alpha nuclear localization sequence is critical for fulvestrant-induced degradation of the receptor" (2015) Casa, A.J.;Hochbaum, D.;Sreekumar, S. (...)Lee, A.V. Molecular and Cellular Endocrinology. 415:76-86

"Exploring the molecular basis of action of ring D aromatic steroidal antiestrogens" (2015) Alvarez, L.D.; Veleiro, A.S.; Burton, G. Proteins: Structure, Function and Bioinformatics. 83(7):1297-1306

"Destabilization of the torsioned conformation of a ligand side chain inverts the LXRβ activity" (2015) Álvarez, L.D.;Dansey, M.V.;Grinman, D.Y. (...)Burton, G. Biochimica et Biophysica Acta - Molecular and Cell Biology of Lipids. 1851(12):1577-1586

"Using crystallographic water properties for the analysis and prediction of lectin-carbohydrate complex structures" (2015) Modenutti, C.;Gauto, D.;Radusky, L. (...)Marti, M.A. Glycobiology. 25(2):181-196

"Regulation of NF-κB signalling cascade by immunophilins" (2015) Lagadari, M.;De Leo, S.A.;Camisay, M.F. (...)Erlejman, A.G. Current Molecular Pharmacology. 9(2):99-108

"Folding of a cyclin box: Linking multitarget binding to marginal stability, oligomerization, and aggregation of the retinoblastoma tumor suppressor ab pocket domain" (2013) Chemes, L.B.; Noval, M.G.; Sánchez, I.E.; De Prat-Gay, G. Journal of Biological Chemistry. 288(26):18923-18938

"27-Nor-Δ4-dafachronic acid is a synthetic ligand of Caenorhabditis elegans DAF-12 receptor" (2013) Samaja, G.A.;Castro, O.;Alvarez, L.D. (...)Burton, G. Bioorganic and Medicinal Chemistry Letters. 23(10):2893-2896

"Small ligand-globin interactions: Reviewing lessons derived from computer simulation" (2013) Capece, L.;Boechi, L.;Perissinotti, L.L. (...)Estrin, D.A. Biochimica et Biophysica Acta - Proteins and Proteomics. 1834(9):1722-1738

"Neuroprotective action of synthetic steroids with oxygen bridge. Activity on GABAA receptor" (2013) Rey, M.;Kruse, M.S.;Alvarez, L.D. (...)Coirini, H. Experimental Neurology. 249:49-58

"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 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

"Molecular basis of the NO trans influence in quaternary T-state human hemoglobin: A computational study" (2013) Petruk, A.A.; Vergara, A.; Estrin, D.; Merlino, A. FEBS Letters. 587(15):2393-2398

"Anticoagulant activity of a unique sulfated pyranosic (1→3)-β-L- arabinan through direct interaction with thrombin" (2013) Fernández, P.V.;Quintana, I.;Cerezo, A.S. (...)Ciancia, M. Journal of Biological Chemistry. 288(1):223-233

"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

"Following ligand migration pathways from picoseconds to milliseconds in type ii truncated hemoglobin from thermobifida fusca" (2012) Marcelli, A.;Abbruzzetti, S.;Bustamante, J.P. (...)Foggi, P. PLoS ONE. 7(7)

"Compound a, a dissociated glucocorticoid receptor modulator, inhibits t-bet (th1) and induces gata-3 (th2) activity in immune cells" (2012) Liberman, A.C.;Antunica-Noguerol, M.;Ferraz-de-Paula, V. (...)Arzt, E. PLoS ONE. 7(4)

"Role of PheE15 Gate in Ligand Entry and Nitric Oxide Detoxification Function of Mycobacterium tuberculosis Truncated Hemoglobin N" (2012) Oliveira, A.;Singh, S.;Bidon-Chanal, A. (...)Luque, F.J. PLoS ONE. 7(11)

"Ligand migration in the apolar tunnel of Cerebratulus lacteus mini-hemoglobin" (2011) Pesce, A.;Nardini, M.;Dewilde, S. (...)Olson, J.S. Journal of Biological Chemistry. 286(7):5347-5358

"Biological activity and ligand binding mode to the progesterone receptor of A-homo analogues of progesterone" (2011) Alvarez, L.D.;Dansey, M.V.;Martí, M.A. (...)Burton, G. Bioorganic and Medicinal Chemistry. 19(5):1683-1691

"Ligand migration in methanosarcina acetivorans protoglobin: Effects of ligand binding and dimeric assembly" (2011) Forti, F.;Boechi, L.;Bikiel, D. (...)Luque, F.J. Journal of Physical Chemistry B. 115(46):13771-13780

"Structural basis for ligand recognition in a mushroom lectin: Solvent structure as specificity predictor" (2011) Gauto, D.F.;Di Lella, S.;Estrin, D.A. (...)Martí, M.A. Carbohydrate Research. 346(7):939-948

"An integrated computational analysis of the structure, dynamics, and ligand binding interactions of the human galectin network" (2011) Guardia, C.M.A.;Gauto, D.F.;Di Lella, S. (...)Estrin, D.A. Journal of Chemical Information and Modeling. 51(8):1918-1930

"Aromatic-aromatic interactions in proteins: Beyond the dimer" (2011) Lanzarotti, E.;Biekofsky, R.R.;Estrin, D.A. (...)Turjanski, A.G. Journal of Chemical Information and Modeling. 51(7):1623-1633

"When galectins recognize glycans: From biochemistry to physiology and back again" (2011) Di Lella, S.;Sundblad, V.;Cerliani, J.P. (...)Rabinovich, G.A. Biochemistry. 50(37):7842-7857

"Protein dynamics and ligand migration interplay as studied by computer simulation" (2011) Arroyo-Mañez, P.;Bikiel, D.E.;Boechi, L. (...)Petruk, A.A. Biochimica et Biophysica Acta - Proteins and Proteomics. 1814(8):1054-1064

"Classical membrane progesterone receptors in murine mammary carcinomas: Agonistic effects of progestins and RU-486 mediating rapid non-genomic effects" (2011) Bottino, M.C.;Cerliani, J.P.;Rojas, P. (...)Lanari, C. Breast Cancer Research and Treatment. 126(3):621-636

"Structure of the glucocorticoid receptor, a flexible protein that can adapt to different ligands" (2010) Veleiro, A.S.; Alvarez, L.D.; Eduardo, S.L.; Burton, G. ChemMedChem. 5(5):649-659

"Linking the structure and thermal stability of β-galactoside-binding protein galectin-1 to ligand binding and dimerization equilibria" (2010) Di Lella, S.;Martí, M.A.;Croci, D.O. (...)Estrin, D.A. Biochemistry. 49(35):7652-7658

"Role of molecular chaperones and TPR-domain proteins in the cytoplasmic transport of steroid receptors and their passage through the nuclear pore" (2010) Galigniana, M.D.; Echeverría, P.C.; Erlejman, A.G.; Piwien-Pilipuk, G. Nucleus. 1(4):299-308

"Insights on glucocorticoid receptor activity modulation through the binding of rigid steroids" (2010) Presman, D.M.;Alvarez, L.D.;Levi, V. (...)Pecci, A. PLoS ONE. 5(10)

"Acute modulation of calcium currents and synaptic transmission by gabapentinoids" (2010) Uchitel, O.D.; Di Guilmi, M.N.; Urbano, F.J.; Inchauspe, C.G. Channels. 4(6)

"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

"Carbohydrate-binding proteins: Dissecting ligand structures through solvent environment occupancy" (2009) Gauto, D.F.;Di Lella, S.;Guardia, C.M.A. (...)Martí, M.A. Journal of Physical Chemistry B. 113(25):8717-8724

"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

"Critical role of the solvent environment in galectin-1 binding to the disaccharide lactose" (2009) Di Lella, S.;Ma, L.;Díaz Ricci, J.C. (...)Álvarez, R.M.S. Biochemistry. 48(4):786-791

"Dynamical characterization of the heme NO oxygen binding (HNOX) domain. Insight into soluble guanylate cyclase allosteric transition" (2008) Capece, L.; Estrin, D.A.; Marti, M.A. Biochemistry. 47(36):9416-9427

"DFT study on the reactivity of iron porphyrins tuned by ring substitution" (2008) Bikiel, D.E.; Bari, S.E.; Doctorovich, F.; Estrin, D.A. Journal of Inorganic Biochemistry. 102(1):70-76

"Negative feedback that improves information transmission in yeast signalling" (2008) Yu, R.C.;Pesce, C.G.;Colman-Lerner, A. (...)Brent, R. Nature. 456(7223):755-761

"Differential recruitment of tetratricorpeptide repeat domain immunophilins to the mineralocorticoid receptor influences both heat-shock protein 90-dependent retrotransport and hormone-dependent transcriptional activity" (2007) Gallo, L.I.; Ghini, A.A.; Pilipuk, G.P.; Galigniana, M.D. Biochemistry. 46(49):14044-14057

"Evidence for NL1-independent nuclear translocation of the mineralocorticoid receptor" (2007) Pilipuk, G.P.; Vinson, G.P.; Sanchez, C.G.; Galigniana, M.D. Biochemistry. 46(5):1389-1397

"Electric field effects on the reactivity of heme model systems" (2007) De Biase, P.M.; Doctorovich, F.; Murgida, D.H.; Estrin, D.A. Chemical Physics Letters. 434(1-3):121-126

"Oxygen affinity controlled by dynamical distal conformations: The soybean leghemoglobin and the Paramecium caudatum hemoglobin cases" (2007) Martí, M.A.;Capece, L.;Bikiel, D.E. (...)Estrin, D.A. Proteins: Structure, Function and Genetics. 68(2):480-487

"Synthesis of 6-thia analogs of the natural neurosteroid allopregnanolone" (2006) Durán, F.J.; Ghini, A.A.; Coirini, H.; Burton, G. Tetrahedron. 62(20):4762-4768

"Heme protein oxygen affinity regulation exerted by proximal effects" (2006) Capece, L.;Marti, M.A.;Crespo, A. (...)Estrin, D.A. Journal of the American Chemical Society. 128(38):12455-12461

"Melatonin inhibits glucocorticoid receptor nuclear translocation in mouse thymocytes" (2006) Presman, D.M.;Hoijman, E.;Ceballos, N.R. (...)Pecci, A. Endocrinology. 147(11):5452-5459

"Quantum dot ligands provide new insights into erbB/HER receptor-mediated signal transduction" (2004) Lidke, D.S.;Nagy, P.;Heintzmann, R. (...)Jovin, T.M. Nature Biotechnology. 22(2):198-203

"Molecular mechanism of activation and nuclear translocation of the mineralocorticoid receptor upon binding of pregnanesteroids" (2004) Galigniana, M.D.;Pilipuk, G.P.;Kanelakis, K.C. (...)Lantos, C.P. Molecular and Cellular Endocrinology. 217(1-2):167-179

"NMR of α-synuclein-polyamine complexes elucidates the mechanism and kinetics of induced aggregation" (2004) Fernández, C.O.;Hoyer, W.;Zweckstetter, M. (...)Jovin, T.M. EMBO Journal. 23(10):2039-2046

"Functional expression and properties of a nicotinic α9/5-HT3 A chimeric receptor" (2003) Verbitsky, M.; Plazas, P.V.; Elgoyhen, A.B. NeuroReport. 14(15):1931-1934

"The occlusion of Rb+ in the Na+/K+-ATPase. II. The effects of Rb+, Na+, Mg2+, or ATP on the equilibrium between free and occluded Rb+" (2002) González-Lebrero, R.M.; Kaufman, S.B.; Garrahan, P.J.; Rossi, R.C. Journal of Biological Chemistry. 277(8):5922-5928

"Modification of an essential amino group in the mineralocorticoid receptor evidences a differential conformational change of the receptor protein upon binding of antagonists, natural agonists and the synthetic agonist 11,19-oxidoprogesterone" (2002) Piwien-Pilipuk, G.;Kanelakis, K.C.;Ghini, A.A. (...)Galigniana, M.D. Biochimica et Biophysica Acta - Molecular Cell Research. 1589(1):31-48

"Differences in nuclear retention characteristics of agonist-activated glucocorticoid receptor may determine specific responses" (2002) Vicent, G.P.;Pecci, A.;Ghini, A. (...)Galigniana, M.D. Experimental Cell Research. 276(2):142-154

"Aluminum toxicity in Erythropoiesis. Related mechanisms " (2002) Pérez, G.; Vittori, D.; Garbossa, G.; Nesse, A. Acta Bioquimica Clinica Latinoamericana. 36(1):41-50

"Iron(III)-phosphonate complexes" (2001) Barja, B.C.; Herszage, J.; Dos Santos Afonso, M. Polyhedron. 20(15-16):1821-1830

"Hydrogen bonding and O2 affinity of hemoglobins [3]" (2001) Scherlis, D.A.; Estrin, D.A. Journal of the American Chemical Society. 123(34):8436-8437

"Binding of nicotinic ligands to and nicotine-induced calcium signaling in Trypanosoma cruzi" (2001) Bollo, M.; Venera, G.; de Jiménez Bonino, M.B.; Machado-Domenech, E. Biochemical and Biophysical Research Communications. 281(2):300-304

"6-Chloro-3'-nitroflavone is a potent ligand for the benzodiazepine binding site of the GABA(A) receptor devoid of intrinsic activity" (2000) Viola, H.;Wolfman, C.;Marder, M. (...)Medina, J.H. Pharmacology Biochemistry and Behavior. 65(2):313-320

"Novel europium and gadolinium compounds in the lanthanide(III) oxydiacetate series" (2000) Aramendia, P.F.; Baggio, R.; Garland, M.T.; Perec, M. Inorganica Chimica Acta. 303(2):306-310

"Comparative inhibition by hard and soft metal ions of steroid-binding capacity of renal mineralocorticoid receptor cross-linked to the 90-kDa heat-shock protein heterocomplex" (1999) Galigniana, M.D.; Piwien-Pilipuk, G. Biochemical Journal. 341(3):585-592

"Exogenous NGF alters a critical motor period in rat striatum" (1999) Wolansky, M.J.;Cabrera, R.J.;Ibarra, G.R. (...)Azcurra, J.M. NeuroReport. 10(13):2705-2709

"Reversal of estrogen-resistance in murine mammary adenocarcinomas" (1999) Montecchia, M.F.; Molinolo, A.; Lanari, C. Breast Cancer Research and Treatment. 54(2):93-99

"The α9 nicotinic acetylcholine receptor shares pharmacological properties with type A γ-aminobutyric acid, glycine, and type 3 serotonin receptors" (1999) Rothlin, C.V.; Katz, E.; Verbitsky, M.; Belén Elgoyhen, A. Molecular Pharmacology. 55(2):248-254

"Isobutylmethylxanthine and other classical cyclic nucleotide phosphodiesterase inhibitors affect cAMP-dependent protein kinase activity" (1993) Tomes, C.; Rossi, S.; Moreno, S. Cellular Signalling. 5(5):615-621

"Two polypeptides from Dendroaspis angusticeps venom selectively inhibit the binding of central muscarinic cholinergic receptor ligands" (1992) Jerusalinsky, D.;Cerveñansky, C.;Peña, C. (...)Dajas, F. Neurochemistry International. 20(2):237-246

"Solid-phase assay for determination of binding parameters of ligand-protein complexes with high dissociation rates" (1991) Santa-Coloma, T.A.; Rossi, R.J.; Charreau, E.H. Analytical Biochemistry. 192(2):367-371

"Major histocompatibility complex modulation of β-adrenoceptor function" (1990) Cremaschi, G.;Borda, E.;Sales, M. (...)Sterin-Borda, L. Biochemical Pharmacology. 39(12):1861-1868