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Crystallography, X-Ray

"Fine Tuning of Functional Features of the Cu A Site by Loop-Directed Mutagenesis" (2019) Zitare, U.A.;Szuster, J.;Santalla, M.C. (...)Murgida, D.H. Inorganic Chemistry. 58(3):2149-2157

"Three new dihydro-β-agarofuran sesquiterpenes from the seeds of Maytenus boaria" (2018) Paz, C.;Heydenreich, M.;Schmidt, B. (...)Baggio, R. Acta Crystallographica Section C: Structural Chemistry. 74(5):564-570

"Structure and electrical properties of a one-dimensional polymeric silver thiosaccharinate complex with argentophilic interactions:" (2018) Dennehy, M.;Amo-Ochoa, P.;Freire, E. (...)Baggio, R. Acta Crystallographica Section C: Structural Chemistry. 74(2):186-193

"Remarkable Changes of the Acidity of Bound Nitroxyl (HNO) in the [Ru(Me3[9]aneN3)(L2)(NO)]n+ Family (n = 1-3). Systematic Structural and Chemical Exploration and Bioinorganic Chemistry Implications" (2018) Levin, N.;Codesido, N.O.;Marcolongo, J.P. (...)Slep, L.D. Inorganic Chemistry. 57(19):12270-12281

"A dihydro-β-agarofuran sesquiterpene from Maytenus boaria" (2017) Paz, C.;Von Dossow, D.;Tiznado, V. (...)Baggio, R. Acta Crystallographica Section C: Structural Chemistry. 73(6):451-457

"The N-terminal pre-A region of Mycobacterium tuberculosis 2/2HbN promotes NO-dioxygenase activity" (2016) Pesce, A.;Bustamante, J.P.;Bidon-Chanal, A. (...)Nardini, M. FEBS Journal. 283(2):305-322

"Structural Insights into the HWE Histidine Kinase Family: The Brucella Blue Light-Activated Histidine Kinase Domain" (2016) Rinaldi, J.;Arrar, M.;Sycz, G. (...)Goldbaum, F.A. Journal of Molecular Biology. 428(6):1165-1179

"Heme oxygenase-1 in the forefront of a multi-molecular network that governs cell-cell contacts and filopodia-induced zippering in prostate cancer" (2016) Paez, A.V.;Pallavicini, C.;Schuster, F. (...)Gueron, G. Cell death & disease. 7(12):e2570

"Regulation of signaling directionality revealed by 3D snapshots of a kinase: Regulator complex in action" (2016) Trajtenberg, F.;Imelio, J.A.;Machado, M.R. (...)Buschiazzo, A. eLife. 5(DECEMBER2016)

"Activity of Fluorine-Containing Analogues of WC-9 and Structurally Related Analogues against Two Intracellular Parasites: Trypanosoma cruzi and Toxoplasma gondii" (2016) Chao, M.N.;Li, C.;Storey, M. (...)Rodriguez, J.B. ChemMedChem. 11(24):2690-2702

"Structural Study of a Flexible Active Site Loop in Human Indoleamine 2,3-Dioxygenase and Its Functional Implications" (2016) Álvarez, L.;Lewis-Ballester, A.;Roitberg, A. (...)Capece, L. Biochemistry. 55(19):2785-2793

"Two rhodamine 6G derivative compounds: A structural and fluorescence single-crystal study" (2016) Di Paolo, M.; Bossi, M.L.; Baggio, R.; Suarez, S.A. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 72:684-692

"Mapping the protein-binding sites for iridium(III)-based CO-releasing molecules" (2016) Caterino, M.;Petruk, A.A.;Vergara, A. (...)Merlino, A. Dalton Transactions. 45(30):12206-12214

"Structural flexibility of the heme cavity in the cold-adapted truncated hemoglobin from the Antarctic marine bacterium Pseudoalteromonas haloplanktis TAC125" (2015) Giordano, D.;Pesce, A.;Boechi, L. (...)Verde, C. FEBS Journal. 282(15):2948-2965

"Structure and magnetism of a binuclear Cu II pyrophosphate: Transition to a 3D magnetic behaviour studied by single crystal EPR" (2015) Sartoris, R.P.;Nascimento, O.R.;Santana, R.C. (...)Calvo, R. Dalton Transactions. 44(10):4732-4743

"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

"Synthesis, characterization, X-ray crystal structure, DFT calculation, DNA binding, and antimicrobial assays of two new mixed-ligand copper(II) complexes" (2015) Ebrahimipour, S.Y.;Sheikhshoaie, I.;Mohamadi, M. (...)Mostafavi, A. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy. 142:410-422

"Dendocarbin A: A sesquiterpene lactone from Drimys winteri" (2014) Paz Robles, C.; Burgos, V.; Suarez, S.; Baggio, R. Acta Crystallographica Section C: Structural Chemistry. 70:1007-1010

"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

"Hobartine: A tetracyclic indole alkaloid extracted from Aristotelia chilensis (maqui)" (2014) Paz Robles, C.; Badilla Vidal, N.; Suarez, S.; Baggio, R. Acta Crystallographica Section C: Structural Chemistry. 70:1075-1078

"Structural and molecular basis of the peroxynitrite-mediated nitration and inactivation of trypanosoma cruzi iron-superoxide dismutases (fe-sods) a and b : Disparate susceptibilities due to the repair of tyr35 radical by cys83 in fe-sodb through intramolecular electron transfer" (2014) Martinez, A.;Peluffo, G.;Petruk, A.A. (...)Piacenza, L. Journal of Biological Chemistry. 289(18):12760-12778

"Two drimane lactones, valdiviolide and 11-epivaldiviolide, in the form of a 1:1 cocrystal obtained from Drimys winteri extracts" (2014) Paz Robles, C.; Mercado, D.; Suarez, S.; Baggio, R. Acta Crystallographica Section C: Structural Chemistry. 70:1112-1115

"Solution and crystal structure of BA42, a protein from the Antarctic bacterium Bizionia argentinensis comprised of a stand-alone TPM domain" (2014) Aran, M.;Smal, C.;Pellizza, L. (...)Cicero, D.O. Proteins: Structure, Function and Bioinformatics. 82(11):3062-3078

"The structures of two aldazines: [1,1′-(1E,1′E)-hydrazine-1,2- diylidenebis(methan-1-yl-1-ylidene)dinaphthalen-2-ol] (Lumogen) and 2,2′-(1E,1′E)-hydrazine-1,2-diylidenebis(methan-1-yl-1-ylidene) diphenol (salicylaldazine) in the solid state and in solution" (2013) Silva, A.M.S.;Silva, V.L.M.;Claramunt, R.M. (...)Elguero, J. Magnetic Resonance in Chemistry. 51(9):530-540

"The allosteric modulation of thyroxine-binding globulin affinity is entropy driven" (2013) Petruk, A.A.; Labanda, M.S.; Álvarez, R.M.S.; Marti, M.A. Biochimica et Biophysica Acta - General Subjects. 1830(6):3570-3577

"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

"Structure of the lectin mannose 6-phosphate receptor homology (MRH) domain of glucosidase II, an enzyme that regulates glycoprotein folding quality control in the endoplasmic reticulum" (2013) Olson, L.J.;Orsi, R.;Alculumbre, S.G. (...)Dahms, N.M. Journal of Biological Chemistry. 288(23):16460-16475

"Three transition-metal complexes with the macrocyclic ligand meso-5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane (L): [Cu(ClO4)2(L)], [Zn(NO3)2(L)] and [CuCl(L)(H2O)]Cl" (2013) Yasmin, S.;Suarez, S.;Doctorovich, F. (...)Baggio, R. Acta Crystallographica Section C: Crystal Structure Communications. 69(8):862-867

"Two solvatomorphic forms of a copper complex formulated as Cu( 1)(ClO4)2-1.2H2O and Cu(1)(ClO4)2, where 1 is 3,10-C-meso-3,5,7,7,10,12,14,14-octamethyl-1,4,8,11-tetraazacyclotetradecane" (2013) Nath, B.C.;Suarez, S.;Doctorovich, F. (...)Baggio, R. Acta Crystallographica Section C: Crystal Structure Communications. 69(7):689-695

"Four NiII complexes with the new cyclam-methylimidazole ligand 1-[(1-methyl-1H-imidazol-2-yl)methyl]-1,4,8,11-tetraazacyclotetradecane" (2012) De Candia, A.G.; Molnar, M.; Slep, L.D.; Baggio, R. Acta Crystallographica Section C: Crystal Structure Communications. 68(5):m121-m126

"Structural, electrochemical characterization and SOD mimic activities of 1D chain or 3D network encouraged by unique μ 2 -bridging by adipate ion in mixed ligand complexes containing α-diimine as auxiliary ligand" (2012) Siddiqi, Z.A.;Sharma, P.K.;Shahid, M. (...)Siddique, A. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy. 93:280-289

"The crystal structure of the MAP kinase LmaMPK10 from leishmania major reveals parasite-specific features and regulatory mechanisms" (2012) Horjales, S.;Schmidt-Arras, D.;Limardo, R.R. (...)Buschiazzo, A. Structure. 20(10):1649-1660

"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)

"Structural analysis of methyl 6-O-benzyl-2-deoxy-2-dimethylmaleimido- α-D-allopyranoside by X-ray crystallography, NMR, and QM calculations: Hydrogen bonding and comparison of density functionals" (2012) Colombo, M.I.;Rúveda, E.A.;Gorlova, O. (...)Stortz, C.A. Carbohydrate Research. 353:79-85

"Design, synthesis, calorimetry, and crystallographic analysis of 2-alkylaminoethyl-1,1-bisphosphonates as inhibitors of trypanosoma cruzi farnesyl diphosphate synthase" (2012) Aripirala, S.;Szajnman, S.H.;Jakoncic, J. (...)Amzel, L.M. Journal of Medicinal Chemistry. 55(14):6445-6454

"Superoxide scavenging and antimicrobial activities of novel transition metal complexes of oxydiacetate dianion as primary ligand: Spectral characterization, cyclic voltammetric investigations and crystal structure" (2012) Siddiqi, Z.A.;Sharma, P.K.;Shahid, M. (...)Kumar, S. European Journal of Medicinal Chemistry. 57:102-111

"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

"Bis[(dihydrogen pyrophosphatoκ-2 O,O′)(2,2′: 6′,2″-terpyridine-κ3 N,N′,N″)copper(II) ] 4.5-hydrate" (2011) Perec, M.; Baggio, R. Acta Crystallographica Section C: Crystal Structure Communications. 67(5):m140-m144

"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

"Tetrachlorocarbonyliridates: Water-soluble carbon monoxide releasing molecules rate-modulated by the sixth ligand" (2011) Bikiel, D.E.;Solveyra, E.G.;Di Salvo, F. (...)Doctorovich, F. Inorganic Chemistry. 50(6):2334-2345

"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

"On the nature and origin of the oxalate package in Solanum sisymbriifolium anthers" (2010) Burrieza, H.P.;López-Fernández, M.P.;Láinez, V. (...)Maldonado, S. Protoplasma. 247(1):45-56

"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

"Pyrophosphate-bridged CuII chain magnet: {[Na 3Cu(P2O7)(NO3)]•3H 2O}n" (2010) Sartoris, R.P.;Santana, R.C.;Baggio, R.F. (...)Calvo, R. Inorganic Chemistry. 49(12):5650-5657

"Magnetism and structure in chains of copper dinuclear paddlewheel units" (2010) Perec, M.;Bagglo, R.;Sartoris, R.P. (...)Calvo, R. Inorganic Chemistry. 49(2):695-703

"Single crystal EPR study of the dinuclear Cu(II) complex [Cu(tda)(phen)]2·H2tda (tda = Thiodiacetate, phen = Phenanthroline): Influence of weak interdimeric magnetic interactions" (2010) Neuman, N.I.;Perec, M.;González, P.J. (...)Brondino, C.D. Journal of Physical Chemistry A. 114(50):13069-13075

"Evidence for a ferryl intermediate in a heme-based dioxygenase" (2009) Lewis-Ballester, A.;Batabyal, D.;Egawa, T. (...)Yeh, S.-R. Proceedings of the National Academy of Sciences of the United States of America. 106(41):17371-17376

"Significant progress in predicting the crystal structures of small organic molecules - A report on the fourth blind test" (2009) Day, G.M.;Cooper, T.G.;Cruz-Cabeza, A.J. (...)Schweizer, B. Acta Crystallographica Section B: Structural Science. 65(2):107-125

"Diaqua-(oxydiacetato-3 O,O′,O″)(pyridine-3- carboxamide-N 1)copper(II)" (2009) Perec, M.; Baggio, R. Acta Crystallographica Section C: Crystal Structure Communications. 65(8):m296-m298

"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

"Chromophore structure of cyanobacterial phytochrome Cph1 in the Pr state: Reconciling structural and spectroscopic data by QM/MM calculations" (2009) Mroginski, M.A.;Von Stetten, D.;Escobar, F.V. (...)Hildebrandt, P. Biophysical Journal. 96(10):4153-4163

"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

"Redox properties of ruthenium nitrosyl porphyrin complexes with different axial ligation: Structural, spectroelectrochemical (IR, UV-Visible, and EPR), and theoretical studies" (2008) Singh, P.;Das, A.K.;Sarkar, B. (...)Kaim, W. Inorganic Chemistry. 47(16):7106-7113

"DFT/MM modeling of the five-membered ring in 3,6-anhydrogalactose derivatives and its influence on disaccharide adiabatic maps" (2008) Navarro, D.A.; Stortz, C.A. Carbohydrate Research. 343(13):2292-2298

"1-D polymers with alternate Cu2 and Ln2 units (Ln = Gd, Er, Y) and carboxylate linkages" (2008) Calvo, R.;Rapp, R.E.;Chagas, E. (...)Perec, M. Inorganic Chemistry. 47(22):10389-10397

"Chromophore heterogeneity and photoconversion in phytochrome crystals and solution studied by resonance Raman spectroscopy" (2008) Von Stetten, D.;Günther, M.;Scheerer, P. (...)Hildebrandt, P. Angewandte Chemie - International Edition. 47(25):4753-4755

"Exploring the molecular basis of action of the passive antiglucocorticoid 21-hydroxy-6,19-epoxyprogesterone" (2008) Álvarez, L.D.;Martí, M.A.;Veleiro, A.S. (...)Burton, G. Journal of Medicinal Chemistry. 51(5):1352-1360

"Exploring the molecular basis of heme coordination in human neuroglobin" (2008) Nadra, A.D.;Martí, M.A.;Pesce, A. (...)Estrin, D.A. Proteins: Structure, Function and Genetics. 71(2):695-705

"A unique family of stable and water-soluble S-nitrosothiol complexes" (2008) Perissinotti, L.L.;Leitus, G.;Shimon, L. (...)Doctorovich, F. Inorganic Chemistry. 47(11):4723-4733

"Structural determinants of ligand migration in Mycobacterium tuberculosis truncated hemoglobin O" (2008) Boechi, L.;Martí, M.A.;Milani, M. (...)Estrin, D.A. Proteins: Structure, Function and Genetics. 73(2):372-379

"Eudesmanes from Pluchea sagittalis. Their antifeedant activity on Spodoptera frugiperda" (2008) Vera, N.;Misico, R.;Sierra, M.G. (...)Bardón, A. Phytochemistry. 69(8):1689-1694

"Electronic perturbation in a molecular nanowire of [IrCl 5(NO)]- units" (2007) Di Salvo, F.;Escola, N.;Scherlis, D.A. (...)Doctorovich, F. Chemistry - A European Journal. 13(30):8428-8436

"Performing organic chemistry with inorganic compounds: Electrophilic reactivity of selected nitrosyl complexes" (2007) Doctorovich, F.; Di Salvo, F. Accounts of Chemical Research. 40(10):985-993

"Exchange coupling across the cyanide bridge: Structural and DFT interpretation of the magnetic properties of a binuclear chromium(iii) complex" (2006) Alborés, P.;Slep, L.D.;Weyhermüller, T. (...)Baraldo, L.M. Dalton Transactions(7):948-954

"New ruthenium nitrosyl complexes with tris(1-pyrazolyl)methane (tpm) and 2,2′-bipyridine (bpy) coligands. Structure, spectroscopy, and electrophilic and nucleophilic reactivities of bound nitrosyl" (2006) Videla, M.;Jacinto, J.S.;Baggio, R. (...)Olabe, J.A. Inorganic Chemistry. 45(21):8608-8617

"Phytotoxic withanolides from Jaborosa rotacea" (2006) Nicotra, V.E.;Ramacciotti, N.S.;Gil, R.R. (...)Burton, G. Journal of Natural Products. 69(5):783-789

"Gadolinium and neodymium citrates: Evidence for weak ferromagnetic exchange between gadolinium(III) cations" (2005) Baggio, R.;Calvo, R.;Garland, M.T. (...)Rizzi, A. Inorganic Chemistry. 44(24):8979-8987

"Free energy contributions to direct readout of a DNA sequence" (2005) Ferreiro, D.U.; Dellarole, M.; Nadra, A.D.; De Prat-Gay, G. Journal of Biological Chemistry. 280(37):32480-32484

"Crystal and solution structures of 7-amino-actinomycin D complexes with d(TTAGBrUT), d(TTAGTT) and d(TTTAGTTT)" (2005) Alexopoulos, E.;Jares-Erijman, E.A.;Jovin, T.M. (...)Usón, I. Acta Crystallographica Section D: Biological Crystallography. 61(4):407-415

"Solvation and structure of LiAIH4 in ethereal solvents" (2005) Bikiel, D.E.;Di Salvo, F.;González Lebrero, M.C. (...)Estrin, D.A. Inorganic Chemistry. 44(15):5286-5292

"The [Ru(Hedta)NO] 0,1- system: Structure, chemical reactivity and biological assays" (2004) Zanichelli, P.G.;Miotto, A.M.;Estrela, H.F.G. (...)Franco, D.W. Journal of Inorganic Biochemistry. 98(11):1921-1932

"Synthesis, high-resolution NMR spectroscopic analysis, and single-crystal X-ray diffraction of isoxazoline tetracycles" (2002) Fascio, M.L.; Alvarez-Larena, A.; D'Accorso, N.B. Carbohydrate Research. 337(24):2419-2425

"Preparation and cytotoxicity toward cancer cells of mono(arylimino) derivatives of β-lapachone" (2001) Di Chenna, P.H.;Benedetti-Doctorovich, V.;Baggio, R.F. (...)Burton, G. Journal of Medicinal Chemistry. 44(15):2486-2489

"Three-dimensional solution structure and stability of thioredoxin m from spinach" (2001) Neira, J.L.;González, C.;Toiron, C. (...)Rico, M. Biochemistry. 40(50):15246-15256

"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