Search results for "structural biology"

showing 10 items of 827 documents

Predicting 19F NMR Chemical Shifts: A Combined Computational and Experimental Study of a Trypanosomal Oxidoreductase–Inhibitor Complex

2020

Abstract The absence of fluorine from most biomolecules renders it an excellent probe for NMR spectroscopy to monitor inhibitor–protein interactions. However, predicting the binding mode of a fluorinated ligand from a chemical shift (or vice versa) has been challenging due to the high electron density of the fluorine atom. Nonetheless, reliable 19F chemical‐shift predictions to deduce ligand‐binding modes hold great potential for in silico drug design. Herein, we present a systematic QM/MM study to predict the 19F NMR chemical shifts of a covalently bound fluorinated inhibitor to the essential oxidoreductase tryparedoxin (Tpx) from African trypanosomes, the causative agent of African sleepi…

Trypanosoma brucei bruceiProtozoan ProteinsContext (language use)PyrimidinonesThiophenes010402 general chemistry01 natural sciencesCatalysisquantum chemistryThioredoxinsNMR spectroscopyComputational chemistryOxidoreductasestructural biologyEnzyme InhibitorsNuclear Magnetic Resonance Biomolecularchemistry.chemical_classificationAfrican sleeping sickness010405 organic chemistryChemistryChemical shiftCommunicationGeneral ChemistryNuclear magnetic resonance spectroscopyFluorineOxidoreductase inhibitorLigand (biochemistry)Trypanocidal AgentsCommunications0104 chemical sciencesStructural biologyCovalent bondddc:540Mutationcovalent inhibitorsProtein BindingAngewandte Chemie (International Ed. in English)
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Crystallization and preliminary X-ray analysis of strictosidine synthase and its complex with the substrate tryptamine

2005

Strictosidine synthase (STR1) is a central enzyme that participates in the biosynthesis of almost all plant monoterpenoid indole alkaloids. After heterologous expression in Escherichia coli, crystals of STR1 and its substrate complex with tryptamine were obtained by the hanging-drop technique at 302–304 K with potassium sodium tartrate tetrahydrate as precipitant. All crystals belong to space group R3. The native STR1 crystals diffract to 2.95 Å and have unit-cell parameters a = b = 150.3, c = 122.4 Å. The tryptamine complex crystals diffract to 2.38 Å, with unit-cell parameters a = b = 147.3, c = 122.3 Å.

TryptamineStrictosidine synthaseTetrahydratebiologyStereochemistryPotassium sodium tartrateSubstrate (chemistry)General MedicineRauwolfiaTryptamineslaw.inventionchemistry.chemical_compoundchemistryBiosynthesisStructural BiologylawCarbon-Nitrogen Lyasesbiology.proteinHeterologous expressionCrystallizationCrystallizationPlant ProteinsActa Crystallographica Section D Biological Crystallography
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The experimental herbicide UKJ72J is an inhibitor of succinate oxidation in plant mitochondria

1983

not received UKJ72J Herbicide Thiopyrimidine Plant mitochondria Inhibitor Succinate oxidation

UKJ72JInhibitorSuccinate oxidationSaccharomyces cerevisiaeSuccinic AcidBiophysics[SDV.BC]Life Sciences [q-bio]/Cellular BiologySaccharomyces cerevisiaeIn Vitro TechniquesMitochondrionBiochemistry03 medical and health scienceschemistry.chemical_compoundSpecies SpecificityStructural BiologySuccinatesGeneticsAnimalsMolecular BiologyThenoyltrifluoroacetone[SDV.BC] Life Sciences [q-bio]/Cellular BiologyComputingMilieux_MISCELLANEOUS030304 developmental biology0303 health sciencesChromatographybiologyHerbicides030306 microbiologyThiopyrimidinefungifood and beveragesSuccinatesOxidation reductionCell BiologyPlantsbiology.organism_classificationMitochondriaRats3. Good healthAdenosine 5'-triphosphateMOPSPlant mitochondriaPyrimidineschemistryBiochemistrySuccinic acidHerbicideOxidation-Reduction
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UV-induced cross-linking of proteins to plasmid pBR322 containing 8-azidoadenine 2′-deoxyribonucleotides

1988

Abstract An efficient method of cross-linking DNA to protein is described. The method is based on the incorporation of photoactive 8-azidoadenine 2′-deoxyribonucleotides into DNA. We have found that 8-N 3 dATP is a substrate for E. coli DNA polymerase I and that 8-N 3 dATP can be incorporated into plasmid pBR322 by nick-translation. Subsequently we were able to cross-link a set of different proteins to 8-azido-2′-deoxyadenosine-containing pBR322 by UV irradiation (366 nm). No DNA-protein photocross-linking was observed under the same conditions when the non-photoactive plasmid pBR322 was used.

Ultraviolet RaysDNA polymeraseDNA polymerase IIUltraviolet irradiationBiophysicsAzidoadeninePlasmid pBR322BiochemistryHistonesDeoxyadenine NucleotidesPlasmidStructural BiologyEscherichia coliGeneticsNick translationMolecular BiologyPlasmid preparationDNA clampNick-translationbiologyDNA-protein cross-linkCell BiologyDNA Polymerase IPBR322Cross-Linking ReagentsBiochemistrybiology.proteinDNA polymerase IPlasmidsFEBS Letters
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Bio-vaterite formation by glycoproteins from freshwater pearls

2010

Abstract A 48 kDa acidic and putative calcium-binding glycoprotein was isolated from pearls of the freshwater mussel Hyriopsis cumingii . This protein was compared with a related 46 kDa polypeptide, obtained from the nacreous shell of the same species. Separation by two-dimensional gel electrophoresis revealed that the difference in molecular weight is due to the higher extent of glycosylation of the 48 kDa protein existing in pearls. Evidence is presented that the sugar moieties of the protein contribute to crystal growth, starting with the nucleation step. In in vitro precipitation experiments, the 48 kDa glycoprotein of pearls directed the formation of round-shaped vaterite crystals whil…

UnionidaeGlycosylationGlycosylationGeneral Physics and AstronomyFresh WaterBiologyCalcium Carbonatechemistry.chemical_compoundStructural BiologyVateriteAnimalsElectrophoresis Gel Two-DimensionalGeneral Materials ScienceCarbonic AnhydrasesGlycoproteinschemistry.chemical_classificationCalciteGel electrophoresisbiomineralization ; freshwater pearls ; calcium carbonate precipitation ; vaterite ; carbonic anhydraseCell BiologyMusselMolecular WeightCalcium carbonatechemistryBiochemistryGlycoproteinBiomineralization
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Amorphous calcium carbonate in the shells of adult Unionoida

2011

Shells of adult individuals from two different bivalve families, Hyriopsis cumingii and Diplodon chilensis patagonicus, were studied by Micro-Raman spectroscopy and Focussed Ion Beam-assisted TEM. The shells contain amorphous calcium carbonate in a zone at the interface between the periostracum and the prismatic layer. In this area, the initial prism structures protrude from the inner periostracum layer and it is demonstrated that these structures systematically consist of highly disordered and amorphous calcium carbonate. Within this zone, ordered and disordered areas are intermingled discounting the existence of a crystallization front and favouring models of domainal crystallization proc…

UnionoidabiologyPeriostracumMineralogy550 - Earth sciencesbiology.organism_classificationSpectrum Analysis RamanPrism (geology)Amorphous calcium carbonatelaw.inventionAmorphous solidBivalviaCalcium Carbonatechemistry.chemical_compoundChemical engineeringchemistryMicroscopy Electron TransmissionStructural BiologylawPhase (matter)VateriteAnimalsCrystallization
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Organization and expression of the chum salmon insulin-like growth factor II gene

1997

AbstractIGF-II plays an important role in growth and development of vertebrates. In the present study, the characterization of the first fish IGF-II gene, chum salmon IGF-II, is described. The sIGF-II gene consists of four exons, spanning a region of 9 kbp, that encode the 214 aa IGF-II precursor. While the amino acid sequences of fully processed IGF-II of salmon and mammalian species are very similar, the prepro-peptide sequence deviates extensively in the signal- and E-peptide domains. The transcription initiation site of the sIGF-II gene was localized within a 30 nt region employing RT-PCR. Using sIGF-II promoter-luciferase constructs it was demonstrated that the sIGF-II gene has a relat…

Untranslated regionBase pairMolecular Sequence DataBiophysicsBiologyTransfectionPolymerase Chain ReactionBiochemistryExonSalmonStructural BiologyGene expressionTumor Cells CulturedGeneticsAnimalsHumansProtein PrecursorsPromoter Regions GeneticInsulin-like growth factor IIMolecular BiologyGeneDNA PrimersGeneticsRegulation of gene expressionchemistry.chemical_classificationBase SequencefungiExonsCell BiologyTransfectionRecombinant ProteinsAmino acidGene structureOncorhynchus ketaFishGene Expression RegulationchemistryOncorhynchus mykissGene expressionFEBS Letters
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Association of AUUUA-binding Protein with A + U-rich mRNA during nucleo-cytoplasmic transport

1992

Resealed nuclear envelope (NE) vesicles from rat liver containing entrapped exogenous RNA were used to study the effect of adenosine+uridine binding factor (AUBF), present in cytosolic cell extracts, on ATP-dependent transport of A+U-rich RNA (AU+RNA) and A+U-free RNA (AU-RNA) across the NE. This factor specifically binds to A+U-rich sequences present in the 3' untranslated regions of lymphokine and cytokine mRNAs, containing overlapping AUUUA boxes (granulocyte-macrophage colony stimulating factor, interleukin-3). Addition of AUBF to the extravesicular compartment markedly increased the efflux of the in vitro transcribed, capped and polyadenylated AU+ RNAs. Export of entrapped AU- control …

Untranslated regionCytoplasmAdenosineTranscription GeneticPolyadenylationNuclear EnvelopeMolecular Sequence DataRNA-binding proteinBiologyCell LineStructural BiologyTranscription (biology)EndoribonucleasesAnimalsHumansNuclear MatrixRNA MessengerBinding siteNuclear export signalUridineMolecular BiologyCell NucleusMessenger RNABinding SitesBase SequenceGranulocyte-Macrophage Colony-Stimulating FactorInterferon-alphaRNA-Binding ProteinsRNAMolecular biologyRatsKineticsLiverRibonucleoproteinsInterleukin-3Carrier ProteinsPlasmidsPolyribonucleotidesProtein BindingJournal of Molecular Biology
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Design of novel small molecule base-pair recognizers of toxic CUG RNA transcripts characteristics of DM1.

2020

Graphical abstract

Untranslated regioncongenital hereditary and neonatal diseases and abnormalitiesBase pairMyotonic dystrophyBiophysicsComputational biologyBase recognitionBiologyBiochemistry03 medical and health scienceschemistry.chemical_compound0302 clinical medicineStructural BiologyRNA targetingGeneticsMBNL1030304 developmental biologyComputingMethodologies_COMPUTERGRAPHICS0303 health sciencesDrug discoveryAlternative splicingRNABiological activityNon-coding RNAComputer Science Applicationschemistry030220 oncology & carcinogenesisMolecular modellingTP248.13-248.65Small moleculeBiotechnologyResearch ArticleComputational and structural biotechnology journal
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Calcium-dependent conformational changes of membrane-bound Ebola fusion peptide drive vesicle fusion

2003

AbstractThe fusogenic subdomain of the Ebola virus envelope glycoprotein is an internal sequence located ca. 20 residues downstream the N-terminus of the glycoprotein transmembrane subunit. Partitioning of the Ebola fusion peptide into membranes containing phosphatidylinositol in the absence of Ca2+ stabilizes an α-helical conformation, and gives rise to vesicle efflux but not vesicle fusion. In the presence of millimolar Ca2+ the membrane-bound peptide adopts an extended β-structure, and induces inter-vesicle mixing of lipids. The peptide conformational polymorphism may be related to the flexibility of the virus–cell intermembrane fusogenic complex.

Vesicle fusionEbola glycoproteinSpectrophotometry InfraredProtein ConformationvirusesBiophysicsPeptideBiologymedicine.disease_causePhosphatidylinositolsBiochemistryMembrane FusionProtein Structure Secondarychemistry.chemical_compoundProtein structureFusion peptideMembranes (Biologia)Structural BiologyGeneticsmedicinePhosphatidylinositolMolecular Biologychemistry.chemical_classificationEbola virusVesicleCircular DichroismLipid bilayer fusionViral fusionWaterMembranes ArtificialCell BiologyEbolavirusLipidsTransmembrane proteinPeptide FragmentsBiochemistrychemistryLiposomesBiophysicsCalciumPèptidsPeptide–lipid interactionViral Fusion Proteins
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