Browsing by Subject "X ray crystallography"
Now showing items 1-20 of 48
-
Article
The 1.76 Å resolution crystal structure of glycogen phosphorylase b complexed with glucose, and CP320626, a potential antidiabetic drug
(2002)CP320626, a potential antidiabetic drug, inhibits glycogen phosphorylase in synergism with glucose. To elucidate the structural basis of synergistic inhibition, we determined the structure of muscle glycogen phosphorylase ...
-
Article
Amphiphilic single and double networks: a small-angle X-ray scattering investigation
(2016)We investigated the microphase-separated morphologies of water-swollen amphiphilic single and double polymer networks using small-angle X-ray scattering (SAXS). The networks consist of (i) a first conetwork containing ...
-
Article
Correlations of synthetic, spectroscopic, structural, and speciation studies in the biologically relevant Cobalt(II) - Citrate system: The tale of the first aqueous dinuclear Cobalt(II) - Citrate complex
(2003)Synthetic efforts targeting soluble species of Co(II) with the low molecular mass physiological ligand citric acid led to the isolation of the first dinuclear complex [Co2(C6H5O7)2 (H2O)4]2-, at pH ∼5, in the form of its ...
-
Article
Crystallographic and computational studies on 4-phenyl-N-(β-D- glucopyranosyl)-1H-1,2, 3-triazole-1-acetamide, an inhibitor of glycogen phosphorylase: Comparison with α-D-glucose, N-acetyl-β-D- glucopyranosylamine and N-benzoyl-N′-β-D-glucopyranosyl urea binding
(2008)4-Phenyl-N-(β-D-glucopyranosyl)-1H-1,2,3-triazole-1-acetamide (glucosyltriazolylacetamide) has been studied in kinetic and crystallographic experiments with glycogen phosphorylase b (GPb), in an effort to utilize its ...
-
Article
Employment of methyl 2-pyridyl ketone oxime in manganese non-carboxylate chemistry: MnII2MnIV and MnII 2MnIII6 complexes
(2009)The employment of the anion of methyl 2-pyridyl ketone oxime (mpko -) as a tridentate chelating/bridging ligand in manganese chemistry is described. The inorganic anion (Br-, ClO4-) used in the reaction affects the identity ...
-
Article
Glucose-based spiro-isoxazolines: A new family of potent glycogen phosphorylase inhibitors
(2009)A series of glucopyranosylidene-spiro-isoxazolines was prepared through regio- and stereoselective [3+2]-cycloaddition between the methylene acetylated exo-glucal and aromatic nitrile oxides. The deprotected cycloadducts ...
-
Article
High nuclearity single-molecule magnets: A mixed-valence Mn26 cluster containing the di-2-pyridylketone diolate dianion
(2008)The employment of the dianion (dpkd2-) of the gem-diol form of di-2-pyridylketone (dpk) as a tetradentate chelate in manganese chemistry is reported, and the synthesis, crystal structure, and magnetochemical characterization ...
-
Article
HIV-1 integrase: From biology to chemotherapeutics
(2007)AIDS has claimed the lives of 25 million people worldwide, an additional 40 million people are HIV-infected and new cases are being diagnosed every year. Despite the fact that HAART has moved AIDS from the category of ...
-
Article
HIV-1 integrase: From biology to chemotherapeuticsAAA
(2007)AIDS has claimed the lives of 25 million people worldwide, an additional 40 million people are HIV-infected and new cases are being diagnosed every year. Despite the fact that HAART has moved AIDS from the category of ...
-
Article
Inducing single-molecule magnetism in a family of loop-of-loops aggregates: Heterometallic Mn40Na4 clusters and the homometallic Mn44 analogue
(2010)The syntheses, crystal structures, and magnetic properties of a new family of heterometallic Mn40Na4 and homometallic Mn44 loop-of-loops aggregates are reported. The reactions of [Mn3O(O 2CMe)6(py)3]•py with 1,3-propanediol ...
-
Article
Insertion of functional groups into a Nd 3+ metal-organic framework via single-crystal-to-single-crystal coordinating solvent exchange
(2012)Single-crystal-to-single-crystal (SCSC) transformations represent some of the most fascinating phenomena in chemistry. They are not only intriguing from a basic science point of view but also provide a means to modify or ...
-
Article
Investigation on uranyl interaction with bioactive ligands. Synthesis and structural studies of the uranyl complexes with glycine and N-(2-mercaptopropionyl)glycine
(2002)Three new uranium(VI) compounds have been prepared with glycine (Hgly), N-(2-mercaptopropionyl)glycine (Hmpg) and 2,2′-dithiobis(N-propionylglycine) (tpg). The crystal structure of [UO2(Hgly)2Cl2] has been solved, revealing ...
-
Article
Kinetic and crystallographic studies of glucopyranose spirohydantoin and glucopyranosylamine analogs inhibitors of glycogen phosphorylase
(2005)Glycogen phosphorylase (GP) is currently exploited as a target for inhibition of hepatic glycogenolysis under high glucose conditions. Spirohydantoin of glucopyranose and N-acetyl-β-D-glucopyranosylamine have been identified ...
-
Article
Manganese citrate chemistry: Syntheses, spectroscopic studies, and structural characterizations of novel mononuclear, water-soluble manganese citrate complexes
(2000)The first two mononuclear manganese citrate complexes, (NH4)4[Mn(II)(C6H5O7)2] (1) and (NH4)5[Mn(III)(C6H4O7)2]·2H2O (2) were synthesized in aqueous solutions near physiological pH values. They were isolated in their pure ...
-
Article
Mixed transition metal-lanthanide complexes at high oxidation states: Heteronuclear CeIVMnIV clusters
(2007)The syntheses of the first mixed-metal CeIVMnIV complexes are reported. [CeMn2O3(O2CMe)(NO 3)4(H2O)2(bpy)2]-(NO 3) (1
-
Article
A Mn15 single-molecule magnet consisting of a supertetrahedron incorporated in a loop
(2010)Two new Mn15 clusters consisting of a supertetrahedron which is incorporated in a loop are reported. The reactions of [Mn(O2CEt) 2]·2H2O with the diols 1,3-propanediol (H 2pd) or 2-methyl-1,3-propanediol (H2mpd) in the ...
-
Article
Model investigations for vanadium-protein interactions: Vanadium(III) compounds with dipeptides and their oxovanadium(IV) analogues
(2002)The reaction of VCl3 with 1,10-phenanthroline and a series of dipeptides (H2dip), having aliphatic as well as aromatic side chains, in methyl alcohol and in the presence of triethylamine affords vanadium(III) compounds of ...
-
Article
Molecular Dynamics in Drug Design: New Generations of Compstatin Analogs
(2012)We report the computational and rational design of new generations of potential peptide-based inhibitors of the complement protein C3 from the compstatin family. The binding efficacy of the peptides is tested by extensive ...
-
Article
Molybdenum(VI) coordination chemistry of the N,N-disubstituted bis(hydroxylamido)-1,3,5-triazine ligand, H2bihyat. Water-assisted activation of the MoVI=O bond and reversible dimerization of cis-[MoVIO2(bihyat)] to [MoVI2O 4(bihyat)2(H2O)2]
(2012)Reaction of the N,N-disubstituted bis(hydroxylamino) ligand 2,6-bis[hydroxy(methyl)amino]-4-morpholino-1,3,5-triazine (H2bihyat) with cis-[MoVIO2(acac)2] in tetrahydrofuran resulted in isolation of the mononuclear compound ...
-
Article
Monolayers, bilayers and micelles of zwitterionic lipids as model systems for the study of specific anion effects
(2007)This work is a review of the effect of different monovalent anions (belonging to the Hofmeister series) on a single model amphiphile, phosphatidylcholine molecules in contact with water, in three different geometries, ...