Search results for "protein conformation"

showing 10 items of 515 documents

A novel structural unit in the N-terminal region of filamins.

2014

Immunoglobulin-like (Ig) domains are a widely expanded superfamily that act as interaction motifs or as structural spacers in multidomain proteins. Vertebrate filamins (FLNs), which are multifunctional actin-binding proteins, consist of 24 Ig domains. We have recently discovered that in the C-terminal rod 2 region of FLN, Ig domains interact with each other forming functional domain pairs, where the interaction with signaling and transmembrane proteins is mechanically regulated by weak actomyosin contraction forces. Here, we investigated if there are similar inter-domain interactions around domain 4 in the N-terminal rod 1 region of FLN. Protein crystal structures revealed a new type of dom…

Models MolecularEGF-like domainProtein ConformationFilaminsProtein domainMolecular Sequence DataBeta sheetmacromolecular substancesBiologyCrystallography X-RayBiochemistryProtein–protein interactionHAMP domainProtein structureHumansAmino Acid SequenceMolecular BiologyNuclear Magnetic Resonance Biomolecularta1182Cell BiologyProtein Structure TertiaryCrystallographyStructural biologyProtein Structure and FoldingBiophysicsBinding domainProtein BindingThe Journal of biological chemistry
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Cholesterol oxidase: ultrahigh-resolution crystal structure and multipolar atom model-based analysis

2015

International audience; Author(s) of this paper may load this reprint on their own web site or institutional repository provided that this cover page is retained. Republication of this article or its storage in electronic databases other than as specified above is not permitted without prior permission in writing from the IUCr. For further information see http://journals.iucr.org/services/authorrights.html Acta Cryst. (2015). D71, 954-968 Zarychta et al. · Cholesterol oxidase research papers 954 http://dx. Examination of protein structure at the subatomic level is required to improve the understanding of enzymatic function. For this purpose, X-ray diffraction data have been collected at 100…

Models MolecularElectron densityCholesterol oxidaseProtein ConformationCrystallography X-Ray010402 general chemistry01 natural sciences03 medical and health scienceschemistry.chemical_compoundProtein structureStructural Biologycholesterol oxidase[CHIM.CRIS]Chemical Sciences/Cristallography[CHIM]Chemical Sciences030304 developmental biologyFlavin adenine dinucleotide0303 health sciencesHydrogen bondIntermolecular forceResolution (electron density)Hydrogen BondingGeneral MedicineStreptomyces0104 chemical sciencesBond lengthCrystallographychemistryFlavin-Adenine Dinucleotide
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Electron Microscopy of Human Erythrocyte Catalase: New Two-Dimensional Crystal Forms

1993

Abstract Using the mica-spreading "negative staining-carbon film" procedure, human erythrocyte catalase has been shown to create a number of different periodic or crystalline two-dimensional (2-D) arrays which differ in the arrangement of molecules in the repeating units and the lattice type. Digital image processing has been performed with a 2-D array which contains regularly arranged "undulating" rows of molecules and also with a 2-D crystal form, exhibiting pgg (p22 1 2 1 ) symmetry and lattice parameters of a = 12.7 nm, b = 44 nm, and γ= 92°. The data are compared with our previous analysis of a different human erythrocyte catalase 2-D crystal, and the effect of partial-depth negative s…

Models MolecularErythrocytesFourier AnalysisbiologyMolecular modelProtein ConformationChemistryStereochemistryCatalaseNegative stainlaw.inventionCrystalMicroscopy ElectronCrystallographyStructural BiologyCatalaseTransmission electron microscopylawLattice (order)biology.proteinHumansMoleculeComputer SimulationElectron microscopeJournal of Structural Biology
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Evolution of molluscan hemocyanin structures

2013

AbstractHemocyanin transports oxygen in the hemolymph of many molluscs and arthropods and is therefore a central physiological factor in these animals. Molluscan hemocyanin molecules are oligomers composed of many protein subunits that in turn encompass subsets of distinct functional units. The structure and evolution of molluscan hemocyanin have been studied for decades, but it required the recent progress in DNA sequencing, X-ray crystallography and 3D electron microscopy to produce a detailed view of their structure and evolution. The basic quaternary structure is a cylindrical decamer 35nm in diameter, consisting of wall and collar (typically at one end of the cylinder). Depending on th…

Models MolecularEvolutionProtein Conformationmedicine.medical_treatmentProtein subunitProtein Data Bank (RCSB PDB)BiophysicsCrystallography X-RayHemocyaninBiochemistryAnalytical ChemistryRespiratory proteinsPaleontologyHemolymphElectron microscopymedicineQuaternary structureAnimalsMolecular BiologybiologyHemocyanincomputer.file_formatKeyhole limpet hemocyaninProtein Data BankBiological EvolutionMolluscaEvolutionary biologyHemocyaninsbiology.proteinProtein quaternary structureKLHcomputerKeyhole limpet hemocyaninOxygen bindingBiochimica et Biophysica Acta (BBA) - Proteins and Proteomics
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Optical properties of in-vitro biomineralised silica

2012

Silicon is the second most common element on the Earth's crust and its oxide (SiO(2)) the most abundant mineral. Silica and silicates are widely used in medicine and industry as well as in micro- and nano-optics and electronics. However, the fabrication of glass fibres and components requires high temperature and non-physiological conditions, in contrast to biosilica structures in animals and plants. Here, we show for the first time the use of recombinant silicatein-α, the most abundant subunit of sponge proteins catalyzing biosilicification reactions, to direct the formation of optical waveguides in-vitro through soft microlithography. The artificial biosilica fibres mimic the natural spon…

Models MolecularFabricationMaterials scienceOptical fiberSiliconProtein ConformationOxidechemistry.chemical_elementNanotechnologyArticlelaw.inventionchemistry.chemical_compoundSponge spiculelawAnimalsFiber Optic TechnologyMultidisciplinarybiologybiology.organism_classificationCathepsinsRecombinant ProteinsSpongechemistryCommon elementGlassRefractive index
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Diversity of Omega Glutathione Transferases in mushroom-forming fungi revealed by phylogenetic, transcriptomic, biochemical and structural approaches

2021

International audience; The Omega class of glutathione transferases (GSTs) forms a distinct class within the cytosolic GST superfamily because most of them possess a catalytic cysteine residue. The human GST Omega 1 isoform was first characterized twenty years ago, but it took years of work to clarify the roles of the human isoforms. Concerning the kingdom of fungi, little is known about the cellular functions of Omega glutathione transferases (GSTOs), although they are widely represented in some of these organisms. In this study, we re-assess the phylogeny and the classification of GSTOs based on 240 genomes of mushroom-forming fungi (Agaricomycetes). We observe that the number of GSTOs is…

Models MolecularGene isoformProtein ConformationCrystallography X-RayMicrobiologyAgaricomycetesstructure-functionFungal ProteinsSerine03 medical and health scienceschemistry.chemical_compoundPhylogeneticsGeneticsPolyporalesflavonoid[SDV.BBM]Life Sciences [q-bio]/Biochemistry Molecular BiologyglutathionePhylogeny[SDV.MP.MYC]Life Sciences [q-bio]/Microbiology and Parasitology/MycologyGlutathione Transferase030304 developmental biologychemistry.chemical_classification0303 health sciencesBinding Sitesbiology030306 microbiologyGene Expression ProfilingGenetic VariationGlutathionebiology.organism_classificationenzymeEnzymeBiochemistrychemistryfungi[SDE.BE]Environmental Sciences/Biodiversity and EcologyAgaricalesCysteine[SDV.EE.IEO]Life Sciences [q-bio]/Ecology environment/Symbiosis
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Effects of glycosylation on fragments of tumour associated human epithelial mucin MUC1.

1998

The glycodecapeptide AcPAPGS(alpha GalNAc)T(alpha GalNAc)APPA and the C-terminal glycohexapeptide AcS(alpha GalNAc)T(alpha GalNAc)APPA have been synthesized by applying the N-terminal Fmoc group in combination with the heptyl ester cleavable by lipase-catalyzed hydrolysis at pH 7. The solution conformation of these MUC1-related synthetic glycopeptides and the control, non-glycosylated decapeptide AcPAPGSTAPPA have been investigated using NMR spectroscopy. The structural studies indicate that the glycohexapeptide has a folded structure in solution. For this molecule, unrestrained molecular dynamics has been used to confirm the presence of the observed solution through-space connections. The …

Models MolecularGlycosylationGlycosylationMagnetic Resonance SpectroscopyStereochemistryProtein ConformationClinical BiochemistryMolecular Sequence DataPharmaceutical ScienceAlpha (ethology)Spectrometry Mass Fast Atom BombardmentBiochemistrychemistry.chemical_compoundProtein structureDrug DiscoveryHumansAmino Acid SequenceMolecular BiologyPeptide sequenceMUC1ChemistryOrganic ChemistryMucinMucin-1Nuclear magnetic resonance spectroscopyGlycopeptidePeptide Fragmentscarbohydrates (lipids)BiochemistryMolecular Medicinelipids (amino acids peptides and proteins)Bioorganicmedicinal chemistry
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Molecular dynamics studies on HIV-1 protease: a comparison of the flap motions between wild type protease and the M46I/G51D double mutant

2007

The emergence of drug-resistant mutants of HIV-1 is a tragic effect associated with conventional long-treatment therapies against acquired immunodeficiency syndrome. These mutations frequently involve the aspartic protease encoded by the virus; knowledge of the molecular mechanisms underlying the conformational changes of HIV-1 protease mutants may be useful in developing more effective and longer lasting treatment regimes. The flap regions of the protease are the target of a particular type of mutations occurring far from the active site. These mutations modify the affinity for both substrate and ligands, thus conferring resistance. In this work, molecular dynamics simulations were perform…

Models MolecularGromacs 3.2Anti-HIV AgentsProtein Conformationmedicine.medical_treatmentflap motionMutantCatalysisVirusInorganic ChemistryProtein structureHIV ProteaseHIV-1 proteaseDrug Resistance ViralEnzyme StabilityHIV-1 proteasemedicineHumansComputer SimulationPhysical and Theoretical Chemistrychemistry.chemical_classificationProteasebiologyHIV-1 drug-resistant mutantOrganic ChemistryWild typeActive siteRecombinant ProteinsComputer Science ApplicationsCell biologyEnzymemolecular dynamics simulationAmino Acid SubstitutionComputational Theory and MathematicsBiochemistrychemistryMutationHIV-1biology.protein
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An NMR view of the unfolding process of rusticyanin: Structural elements that maintain the architecture of a β-barrel metalloprotein

2005

The unfolding process of the blue copper protein rusticyanin (Rc) as well as its dynamic and D(2)O/H(2)O exchange properties in an incipient unfolded state have been studied by heteronuclear NMR spectroscopy. Titrations of apo, Cu(I), and Cu(II)Rc with guanidinium chloride (GdmCl) show that the copper ion stabilizes the folded species and remains bound in the completely unfolded state. The oxidized state of the copper ion is more efficient than the reduced form in this respect. The long loop of Rc (where the first ligand of the copper ion is located) is one of the most mobile domains of the protein. This region has no defined secondary structure elements and is prone to exchange its amide p…

Models MolecularGuanidinium chlorideProtein FoldingProtein ConformationLigandChemistryCopper proteinBiochemistryArticleCrystallographychemistry.chemical_compoundProtein structureAzurinRusticyaninEscherichia coliProtein foldingAzurinNuclear Magnetic Resonance BiomolecularMolecular BiologyProtein secondary structureCopperGuanidineProtein Science
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A Structural Model of the Human α7 Nicotinic Receptor in an Open Conformation

2015

International audience; Nicotinic acetylcholine receptors (nAchRs) are ligand-gated ion channels that regulate chemical transmission at the neuromuscular junction. Structural information is available at low resolution from open and closed forms of an eukaryotic receptor, and at high resolution from other members of the same structural family, two prokaryotic orthologs and an eukary- otic GluCl channel. Structures of human channels however are still lacking. Homology modeling and Molecular Dynamics simulations are valuable tools to predict structures of unknown proteins, however, for the case of human nAchRs, they have been unsuccessful in providing a stable open structure so far. This is du…

Models MolecularHydrogen bondingalpha7 Nicotinic Acetylcholine ReceptorProtein ConformationMolecular Sequence DataMESH: Sequence Alignmentligand gated ion channles molecular dynamics simulation epibatidine waterlcsh:MedicineSequence alignmentMESH: Amino Acid SequenceMolecular Dynamics SimulationMESH: Models Molecular*Molecular dynamicsProtein structureSequence alignmentCationsHumansMESH: Molecular Dynamics SimulationHomology modelingAmino Acid SequenceNicotinic Receptorlcsh:ScienceBiochemical simulationsIon channelAcetylcholine receptorIonsMESH: Protein Conformation*MultidisciplinaryMESH: HumansMESH: Molecular Sequence DataChemistryMESH: Protein Multimerizationlcsh:RMESH: alpha7 Nicotinic Acetylcholine Receptor/chemistry*[SDV.BIBS]Life Sciences [q-bio]/Quantitative Methods [q-bio.QM]Transmembrane proteinSimulation and modelingNicotinic agonistBiochemistryBiophysicsProtein structurelcsh:QProtein MultimerizationResearch ArticleStructural Model
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