Browsing by Subject "Crystallography, X-Ray"

Now showing items 1-20 of 26

Article

The 1.76 Å resolution crystal structure of glycogen phosphorylase b complexed with glucose, and CP320626, a potential antidiabetic drug

Oikonomakos, Nikos G.; Zographos, Spyros E.; Skamnaki, Vicky T.; Archontis, Georgios Z. (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

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

Alexacou, Kyra Melinda; Hayes, Joseph M.; Tiraidis, Costas; Zographos, Spyros E.; Leonidas, Demetres D.; Chrysina, Evangelia D.; Archontis, Georgios Z.; Oikonomakos, Nikos G.; Paul, J. V.; Varghese, B.; Loganathan, D. (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

Design of a modified mouse protein with ligand binding properties of its human analog by molecular dynamics simulations: The case of C3 inhibition by compstatin

Tamamis, Phanourios; Pierou, P.; Mytidou, C.; Floudas, C. A.; Morikis, D.; Archontis, Georgios Z. (2011)

The peptide compstatin and its derivatives inhibit the complement-component protein C3 in primate mammals and are potential therapeutic agents against the unregulated activation of complement in humans, but are inactive ...
Article

Employment of methyl 2-pyridyl ketone oxime in manganese non-carboxylate chemistry: MnII2MnIV and MnII 2MnIII6 complexes

Stoumpos, Constantinos C.; Stamatatos, Theocharis C.; Sartzi, H.; Roubeau, O.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios; Teat, S. J.; Christou, George; Perlepes, Spyros P. (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

Benltifa, Mahmoud; Hayes, Joseph M.; Vidal, Sébastien; Gueyrard, David; Goekjian, Peter G.; Praly, Jean Pierre; Kizilis, Gregory; Tiraidis, Costas; Alexacou, Kyra Melinda; Chrysina, Evangelia D.; Zographos, Spyros E.; Leonidas, Demetres D.; Archontis, Georgios Z.; Oikonomakos, Nikos G. (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

Glycogen phosphorylase inhibitors: A free energy perturbation analysis of glucopyranose spirohydantoin analogues

Archontis, Georgios Z.; Watson, K. A.; Xie, Q.; Andreou, Georgia; Chrysina, Evangelia D.; Zographos, Spyros E.; Oikonomakos, Nikos G.; Karplus, M. (2005)

GP catalyzes the phosphorylation of glycogen to Glc-1-P. Because of its fundamental role in the metabolism of glycogen, GP has been the target for a systematic structure-assisted design of inhibitory compounds, which could ...
Article

High nuclearity single-molecule magnets: A mixed-valence Mn26 cluster containing the di-2-pyridylketone diolate dianion

Stamatatos, Theocharis C.; Nastopoulos, Vassilios; Tasiopoulos, Anastasios J.; Moushi, Eleni E.; Wernsdorfer, W.; Christou, George; Perlepes, Spyros P. (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

Insertion of functional groups into a Nd 3+ metal-organic framework via single-crystal-to-single-crystal coordinating solvent exchange

Manos, Manolis J.; Kyprianidou, Eleni J.; Papaefstathìou, Giannis S.; Tasiopoulos, Anastasios J. (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

Kinetic and crystallographic studies of glucopyranose spirohydantoin and glucopyranosylamine analogs inhibitors of glycogen phosphorylase

Watson, K. A.; Chrysina, Evangelia D.; Tsitsanou, K. E.; Zographos, Spyros E.; Archontis, Georgios Z.; Fleet, G. W. J.; Oikonomakos, Nikos G. (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

Mixed transition metal-lanthanide complexes at high oxidation states: Heteronuclear CeIVMnIV clusters

Tasiopoulos, Anastasios J.; Milligan Jr., P. L.; Abboud, K. A.; O'Brien, T. A.; Christou, George (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

Moushi, Eleni E.; Masello, A.; Wernsdorfer, W.; Nastopoulos, Vassilios; Christou, George; Tasiopoulos, Anastasios J. (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

Tasiopoulos, Anastasios J.; Tolis, Evangelos I.; Tsangaris, John Michael; Evangelou, Angelos M.; Woollins, J. D.; Slawin, A. M. Z.; Pessoa, J. C.; Correia, I.; Kabanos, Themistoklis A. (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

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]

Stylianou, Marios; Nikolakis, Vladimiros A.; Chilas, G. I.; Jakusch, T.; Vaimakis, T.; Kiss, Tamás; Sigalas, Michael P.; Keramidas, Anastasios D.; Kabanos, Themistoklis A. (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

New antimony(III) bromide complexes with thioamides: Synthesis, characterization, and cytostatic properties

Ozturk, I. I.; Hadjikakou, Sotiris K.; Hadjiliadis, Nick; Kourkoumelis, Nikolaos; Kubicki, Maciej; Tasiopoulos, Anastasios J.; Scleiman, H.; Barsan, M. M.; Butler, I. S.; Balzarini, J. (2009)

New antimony(III) bromide complexes with the heterocyclic thioamides, thiourea (TU), 2-mercapto-1-methylimidazole (MMl), 2-mercapto-benzimidazole (MBZlM), 2-mercapto-5-methyl-benzimidazole (MMBZIM), 5-ethoxy-2-mercapto- ...
Article

New antimony(III) halide complexes with dithiocarbamate ligands derived from thiuram degradation: The effect of the molecule's close contacts on in vitro cytotoxic activity

Urgut, O. S.; Ozturk, I. I.; Banti, Christina N.; Kourkoumelis, Nikolaos; Manoli, Maria; Tasiopoulos, Anastasios J.; Hadjikakou, Sotiris K. (2016)

Antimony(III) halide complexes of the formulae {[SbBr(Me2DTC)2]n} (1), {[SbI(Me2DTC)2]n} (2) and {[(Me2DTC)2Sb(μ2-I)Sb(Me2DTC)2]+.I3-} (3) (Me2DTC = dimethyldithiocarbomate) were synthesized from SbX3, (X = Br or I) and ...
Article

Novel lipophilic amidate oxorhenium and oxotechnetium complexes as potential brain agents: Synthesis, characterization and biological evaluation

Papadopoulos, Minas S.; Nock, B.; Maina-Nock, Theodosia; Pirmettis, Ioannis C.; Raptopoulou, Catherine P.; Tasiopoulos, Anastasios J.; Troganis, Anastassios N.; Kabanos, Themistoklis A.; Terzis, Aris; Chiotellis, Efstratios (2001)

Novel oxorhenium and oxotechnetium complexes based on the tetradentate 1-(2-hydroxybenzamido)-2-(pyridinecarboxamido)benzene, H3L, ligand have been synthesized and characterized herein. Thus, by reacting equimolar quantities ...
Article

Pentanuclear complexes with unusual structural topologies from the initial use of two aliphatic amino-alcohol ligands in Fe chemistry

Kizas, Christos M.; Manos, Manolis J.; Nastopoulos, Vassilios; Boudalis, Athanassios K.; Sanakis, Yiannis; Tasiopoulos, Anastasios J. (2012)

Five novel pentanuclear Fe 3+ clusters with the aliphatic amino-alcohol ligands 3-amino-1-propanol (Hap) and 2-(hydroxymethyl)piperidine (Hhmpip) [Fe 5(μ 3-Ο) 2(L) 4(O 2CR) 7] [L = ap -, R = Ph (1)
Article

PKD2, a gene for polycystic kidney disease that encodes an integral membrane protein

Mochizuki, Toshio; Wu, G.; Hayashi, Tomohito; Xenophontos, Stavroulla L.; Veldhuisen, B.; Saris, J. J.; Reynolds, D. M.; Cai, Y.; Gabow, P. A.; Pierides, Alkis M.; Kimberling, W. J.; Breuning, M. H.; Constantinou-Deltas, Constantinos D.; Peters, D. J. M.; Somlo, Stefan (1996)

A second gene for autosomal dominant polycystic kidney disease was identified by positional cloning. Nonsense mutations in this gene (PKD2) segregated with the disease in three PKD2 families. The predicted 968-amino acid ...
Article

Solid state and aqueous solution characterization of rectangular tetranuclear VIV/V-p-semiquinonate/hydroquinonate complexes exhibiting a proton induced electron transfer

Drouza, Chryssoula; Keramidas, Anastasios D. (2008)

Reaction of the non-innocent dinucleating ligand 2,5-bis[N,N- bis(carboxymethyl) arninomethyl]hydroquinone (H6bicah) with VO 2+ and VO43- salts in water in the pH range 2 to 4.5 provides a series of novel tetranuclear VIV ...
Article

Structural motifs and biological studies of new antimony(iii) iodide complexes with thiones

Ozturk, I.; Filimonova, S.; Hadjikakou, Sotiris K.; Kourkoumelis, Nikolaos; Dokorou, Vaso N.; Manos, Manolis J.; Tasiopoulos, Anastasios J.; Barsan, M. M.; Butler, I. S.; Milaeva, E. R.; Balzarini, J.; Hadjiliadis, Nick (2010)

Eight new antimony(III) iodide complexes of the heterocyclic thioamides, 2-mercapto-1-methylimidazole (MMI), 2-mercaptobenzlmidazole (MBZIM), 5-ethoxy-2-mercaptobenzimldazole (EtMBZIM), 2-mercaptothiazolidine (MTZD), ...

Browsing by Subject "Crystallography, X-Ray"

The 1.76 Å resolution crystal structure of glycogen phosphorylase b complexed with glucose, and CP320626, a potential antidiabetic drug ﻿

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 ﻿

Design of a modified mouse protein with ligand binding properties of its human analog by molecular dynamics simulations: The case of C3 inhibition by compstatin ﻿

Employment of methyl 2-pyridyl ketone oxime in manganese non-carboxylate chemistry: MnII2MnIV and MnII 2MnIII6 complexes ﻿

Glucose-based spiro-isoxazolines: A new family of potent glycogen phosphorylase inhibitors ﻿

Glycogen phosphorylase inhibitors: A free energy perturbation analysis of glucopyranose spirohydantoin analogues ﻿

High nuclearity single-molecule magnets: A mixed-valence Mn26 cluster containing the di-2-pyridylketone diolate dianion ﻿

Insertion of functional groups into a Nd 3+ metal-organic framework via single-crystal-to-single-crystal coordinating solvent exchange ﻿

Kinetic and crystallographic studies of glucopyranose spirohydantoin and glucopyranosylamine analogs inhibitors of glycogen phosphorylase ﻿

Mixed transition metal-lanthanide complexes at high oxidation states: Heteronuclear CeIVMnIV clusters ﻿

A Mn15 single-molecule magnet consisting of a supertetrahedron incorporated in a loop ﻿

Model investigations for vanadium-protein interactions: Vanadium(III) compounds with dipeptides and their oxovanadium(IV) analogues ﻿

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] ﻿

New antimony(III) bromide complexes with thioamides: Synthesis, characterization, and cytostatic properties ﻿

New antimony(III) halide complexes with dithiocarbamate ligands derived from thiuram degradation: The effect of the molecule's close contacts on in vitro cytotoxic activity ﻿

Novel lipophilic amidate oxorhenium and oxotechnetium complexes as potential brain agents: Synthesis, characterization and biological evaluation ﻿

Pentanuclear complexes with unusual structural topologies from the initial use of two aliphatic amino-alcohol ligands in Fe chemistry ﻿

PKD2, a gene for polycystic kidney disease that encodes an integral membrane protein ﻿

Solid state and aqueous solution characterization of rectangular tetranuclear VIV/V-p-semiquinonate/hydroquinonate complexes exhibiting a proton induced electron transfer ﻿

Structural motifs and biological studies of new antimony(iii) iodide complexes with thiones ﻿

The 1.76 Å resolution crystal structure of glycogen phosphorylase b complexed with glucose, and CP320626, a potential antidiabetic drug

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

Design of a modified mouse protein with ligand binding properties of its human analog by molecular dynamics simulations: The case of C3 inhibition by compstatin

Employment of methyl 2-pyridyl ketone oxime in manganese non-carboxylate chemistry: MnII2MnIV and MnII 2MnIII6 complexes

Glucose-based spiro-isoxazolines: A new family of potent glycogen phosphorylase inhibitors

Glycogen phosphorylase inhibitors: A free energy perturbation analysis of glucopyranose spirohydantoin analogues

High nuclearity single-molecule magnets: A mixed-valence Mn26 cluster containing the di-2-pyridylketone diolate dianion

Insertion of functional groups into a Nd 3+ metal-organic framework via single-crystal-to-single-crystal coordinating solvent exchange

Kinetic and crystallographic studies of glucopyranose spirohydantoin and glucopyranosylamine analogs inhibitors of glycogen phosphorylase

Mixed transition metal-lanthanide complexes at high oxidation states: Heteronuclear CeIVMnIV clusters

A Mn15 single-molecule magnet consisting of a supertetrahedron incorporated in a loop

Model investigations for vanadium-protein interactions: Vanadium(III) compounds with dipeptides and their oxovanadium(IV) analogues

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]

New antimony(III) bromide complexes with thioamides: Synthesis, characterization, and cytostatic properties

New antimony(III) halide complexes with dithiocarbamate ligands derived from thiuram degradation: The effect of the molecule's close contacts on in vitro cytotoxic activity

Novel lipophilic amidate oxorhenium and oxotechnetium complexes as potential brain agents: Synthesis, characterization and biological evaluation

Pentanuclear complexes with unusual structural topologies from the initial use of two aliphatic amino-alcohol ligands in Fe chemistry

PKD2, a gene for polycystic kidney disease that encodes an integral membrane protein

Solid state and aqueous solution characterization of rectangular tetranuclear VIV/V-p-semiquinonate/hydroquinonate complexes exhibiting a proton induced electron transfer

Structural motifs and biological studies of new antimony(iii) iodide complexes with thiones