124,829 results match your criteria tertiary structure

In silico Structural, Functional and Phylogenetic Analyses of cellulase from Ruminococcus albus.

J Genet Eng Biotechnol 2021 Apr 19;19(1):58. Epub 2021 Apr 19.

Department of Animal Sciences, Faculty of Agriculture and Environment, Agricultural University of Tirana, Koder Kamez, 1029, Tirana, Albania.

Background: Cellulose is the primary component of the plant cell wall and an important source of energy for the ruminant and microbial protein synthesis in the rumen. Cell wall content is digested by anaerobic fermentation activity mainly of bacteria belonging to species Fibrobacter succinogenes, Ruminicoccus albus, Ruminococcus flavefaciens, and Butyrivibrio fibrisolvens. Bacteria belonging to the species Ruminococcus albus contain cellulosomes that enable it to adhere to and digest cellulose, and its genome encodes cellulases and hemicellulases. Read More

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Hexameric Lanthanide-Organic Capsules with Tertiary Structure and Emergent Functions.

J Am Chem Soc 2021 Apr 19. Epub 2021 Apr 19.

State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, People's Republic of China.

Biological macromolecules always function through a collective behavior of the aggregated constituents, which usually are self-assembled together via noncovalent interactions. Likewise, artificial supramolecular assemblies, whose properties and functions are mainly derived from their primary and secondary structures, may also aggregate into high-order architectures with emergent functions not available on the individual components. Here we report the first example of an insulin-like hexamerization of lanthanide triple helicates toward a 4 nm diameter hexameric capsule via consecutive metal-directed and anion-directed assembly processes. Read More

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Efficient recovery of phosphorus and sulfur from Anaerobic Membrane Bioreactor (AnMBR) permeate using chemical addition of iron and evaluation of its nutrient availability for plant uptake.

Sci Total Environ 2021 Apr 1;783:146850. Epub 2021 Apr 1.

Department of Civil Engineering, Kansas State University, 2118 Fiedler Hall, 1701C Platt St., Manhattan, KS 66506, USA.

Anaerobic membrane bioreactors (AnMBRs) represent an emerging environmental biotechnology platform with the potential to simultaneously recover water, energy, and nutrients from concentrated wastewaters. The removal and beneficial capture of nutrients from AnMBR permeate has yet to be fully explored, therefore this study sought to foster iron phosphate recovery through a tertiary coagulation process, as well as characterize the recovered nutrient product (RNP) and assess its net phosphorus release, diffusion, and availability for plant uptake. One of the primary goals of this study was to optimize the dose of the coagulant, ferric chloride, and coagulant aid, aluminum chlorohydrate (ACH), for continuous application to the coagulation-flocculation-sedimentation (CFS) unit of an AnMBR pilot plant treating municipal wastewater, through controlled bench-scale jar tests. Read More

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Internal cavity amplification of shell-like ferritin regulated with the change of the secondary and tertiary structure induced by PEF technology.

Int J Biol Macromol 2021 Apr 14. Epub 2021 Apr 14.

National Engineering Research Center of Seafood, School of Food Science and Technology, Dalian Polytechnic University, Dalian 116034, PR China. Electronic address:

In this study, the effect of pulsed electric field (PEF) on apparent morphology and molecular structure of shell-like ferritin obtained from horse spleen was determined by circular dichroic (CD), fluorescence spectroscopy, Raman spectroscopy, cold field emission scanning electron microscopy (CF-SEM) and transmission electron microscopy (TEM), and verified by molecule dynamics (MD) simulation. After PEF treatment, the α-helix content of the samples reached a minimum value at 10 kV/cm, which indicated that the ferritin structure has been partially unfolded. However, the α-helix content peaked again after resting for 2 h at 25 ± 1 °C. Read More

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Chemical characterization (LC-MS-ESI), cytotoxic activity and intracellular localization of PAMAM G4 in leukemia cells.

Sci Rep 2021 Apr 15;11(1):8210. Epub 2021 Apr 15.

Laboratorio de Diseño y Desarrollo de Nuevos Fármacos e Innovación Biotécnológica (Laboratory for the Design and Development of New Drugs and Biotechnological Innovation), Escuela Superior de Medicina, Instituto Politécnico Nacional, Plan de San Luis y Díaz Mirón, 11340, Ciudad de México, Mexico.

Generation 4 of polyamidoamine dendrimer (G4-PAMAM) has several biological effects due to its tridimensional globular structure, repetitive branched amides, tertiary amines, and amino-terminal subunit groups liked to a common core. G4-PAMAM is cytotoxic due to its positive charges. However, its cytotoxicity could increase in cancer cells due to the excessive intracellular negative charges in these cells. Read More

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Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡.

Nucleic Acids Res 2021 Apr 15. Epub 2021 Apr 15.

State Key Laboratory of Crop Stress Biology in Arid Areas, College of Life Sciences, Northwest A&F University, Yangling, Shaanxi 712100, China.

Telomerase plays critical roles in cellular aging, in the emergence and/or development of cancer, and in the capacity for stem-cell renewal, consists of a catalytic telomerase reverse transcriptase (TERT) and a template-encoding RNA (TER). TERs from diverse organisms contain two conserved structural elements: the template-pseudoknot (T-PK) and a helical three-way junction (TWJ). Species-specific features of the structure and function of telomerase make obtaining a more in-depth understanding of the molecular mechanism of telomerase particularly important. Read More

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Immunotherapy for Hepatocellular Carcinoma: Current Limits and Prospects.

Front Oncol 2021 29;11:589680. Epub 2021 Mar 29.

Department of General Surgery, Sir Run Run Shaw Hospital, School of Medicine, Zhejiang University, Hangzhou, China.

Although many approaches have been used to treat hepatocellular carcinoma (HCC), the clinical benefits remain limited, particularly for late stage HCC. In recent years, studies have focused on immunotherapy for HCC. Immunotherapies have shown promising clinical outcomes in several types of cancers and potential therapeutic effects for advanced HCC. Read More

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In silico  structural and functional analysis of cold shock protein in Pseudomonas fluorescens  PF08 from marine fish.

J Food Prot 2021 Apr 14. Epub 2021 Apr 14.


Pseudomonas fluorescens is a specific spoilage microorganism of refrigerated marine fish, which possesses strong adaptability to low temperature. Cold shock proteins (CSPs) play an important role in bacterial cold adaptation. In this study, the CSP genes were obtained from the genome of P. Read More

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Improving Safety and Quality During Interhospital Transfer of Patients With Nontraumatic Intracranial Hemorrhage: A Simulation-Based Pilot Program.

J Patient Saf 2021 Apr 14. Epub 2021 Apr 14.

From the Yale School of Medicine Yale New Haven Health, New Haven, Connecticut.

Background: The presentation of critically ill patients to emergency departments often necessitates interhospital transfer (IHT) to a tertiary care center for specialized neurocritical care. Patients with nontraumatic intracranial hemorrhage represent a critically ill population subject to high rates of IHT and who is thus an important target for research and quality improvement of IHT. We describe the use of an innovative simulation methodology engaging transfer staff, clinicians, and stakeholders to refine and facilitate the adoption of a standardized IHT protocol for transferring patients with neurovascular emergencies. Read More

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Translation and validation of the Japanese version of the measure of moral distress for healthcare professionals.

Health Qual Life Outcomes 2021 Apr 13;19(1):120. Epub 2021 Apr 13.

Department of Health Informatics, Kyoto University School of Public Health, Yoshida Konoe-cho, Sakyo-ku, Kyoto, Japan.

Objectives: Moral distress occurs when professionals cannot carry out what they believe to be ethically appropriate actions because of constraints or barriers. We aimed to assess the validity and reliability of the Japanese translation of the Measure of Moral Distress for Healthcare Professionals (MMD-HP).

Methods: We translated the questionnaire into Japanese according to the instructions of EORTC Quality of Life group translation manual. Read More

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A Pair of Cobalt(III/IV) Terminal Imido Complexes.

Angew Chem Int Ed Engl 2021 Apr 13. Epub 2021 Apr 13.

Universität des Saarlandes: Universitat des Saarlandes, Chemistry, GERMANY.

Reaction of the cobalt(I) complex [(TIMMN mes )Co I ](BPh 4 ) ( 2 ) (TIMMN mes = t ris -[2-(3-mesityl- im idazolin-2-ylidene)- m ethyl]-ami n e) with 1-adamantyl azide yields the cobalt(III) imido complex [(TIMMN mes )Co III (NAd)](BPh 4 ) ( 3 ) with concomitant release of dinitro-gen. The N -anchor in diamagnetic 3 features an unusual, planar tertiary amine, which results from repulsive electro-static interaction with the cobalt ion's filled d ( z 2 ) orbital and negative hyperconjugation with the neighboring methylene groups. One-electron oxidation of 3 with [FeCp 2 ][OTf] provides access to the rare, high valent cobalt(IV) imido complex [(TIMMN mes )Co IV -(NAd)](OTf) 2 ( 4 ). Read More

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A novel gene variant (c.857A>G; p.Tyr286Cys) in an extended family with non‑syndromic deafness 2A.

Mol Med Rep 2021 Jun 13;23(6). Epub 2021 Apr 13.

Department of Otolaryngology‑Head and Neck Surgery, Xijing Hospital, Air Force Medical University, Xi'an, Shaanxi 710032, P.R. China.

Deafness is one of the most common sensory disorders found in humans; notably, >60% of all cases of deafness have been attributed to genetic factors. Variants in potassium voltage‑gated channel subfamily Q member 4 () are etiologically linked to a type of progressive hearing loss, deafness non‑syndromic autosomal dominant 2A (DFNA2A). In the present study, whole‑exome sequencing (WES) was performed on three members of a five‑generation Chinese family with 46 members with hearing loss. Read More

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Ubiquitin forms conventional decorated micelle structures with sodium dodecyl sulfate at saturation.

J Colloid Interface Sci 2021 Mar 24;596:233-244. Epub 2021 Mar 24.

Interdisciplinary Nanoscience Center (iNANO), Gustav Wieds Vej 14, Aarhus University, DK-8000 Aarhus, Denmark; Department of Chemistry, Aarhus University, Gustav Wieds Vej 14, DK-8000 Aarhus, Denmark. Electronic address:

The anionic surfactant sodium dodecyl sulfate (SDS) interacts strongly with most globular proteins and denatures and unfolds them. While scattering studies using X-rays and neutrons have shown that this denaturation generally leads to protein-decorated SDS micelles, a different SDS-decorated polypeptide model has recently been suggested for complexes between SDS and Ubiquitin (UBI), in which individual SDS molecules are distributed on a partially stretched protein. To resolve this apparent discrepancy, we have investigated the SDS-UBI system by a number of complementary techniques. Read More

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Structure-based phylogeny identifies Avoralstat as a TMPRSS2 inhibitor that prevents SARS-CoV-2 infection in mice.

J Clin Invest 2021 Apr 12. Epub 2021 Apr 12.

Department of Ophthalmology, Stanford University, Palo Alto, United States of America.

Drugs targeting host proteins can act prophylactically to reduce viral burden early in disease and limit morbidity, even with antivirals and vaccination. Transmembrane serine protease 2 (TMPRSS2) is a human protease required for SARS-CoV-2 viral entry and may represent such a target. We hypothesized that drugs selected from proteins related by their tertiary structure, rather than their primary structure, were likely to interact with TMPRSS2. Read More

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Structure and adsorption behavior of high hydrostatic pressure-treated β-lactoglobulin.

J Colloid Interface Sci 2021 Mar 17;596:173-183. Epub 2021 Mar 17.

Technische Universität Berlin, Department of Food Colloids, Straße des 17. Juni 135, 10623 Berlin, Germany. Electronic address:

Hypothesis: High hydrostatic pressure treatment causes structural changes in interfacial-active β-lactoglobulin (β-lg). We hypothesized that the pressure-induced structural changes affect the intra- and intermolecular interactions which determine the interfacial activity of β-lg. The conducted experimental and numerical investigations could contribute to the mechanistic understanding of the adsorption behavior of proteins in food-related emulsions. Read More

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Characterization of fosfomycin resistance and molecular epidemiology among carbapenem-resistant Klebsiella pneumoniae strains from two tertiary hospitals in China.

BMC Microbiol 2021 Apr 11;21(1):109. Epub 2021 Apr 11.

Department of Clinical Laboratory, Xiangya Hospital, Central South University, No. 87, Xiangya Road, Kaifu District, Changsha, 410008, Hunan, China.

Background: Fosfomycin has been proven to be a vital choice to treat infection caused by multidrug resistance bacteria, especially carbapenem-resistant Klebsiella pneumoniae (CRKP). However, fosfomycin resistant cases has been reported gradually. In this study, we reported the fosfomycin-resistant rate in CRKP strains and further revealed the molecular mechanisms in resistance gene dissemination. Read More

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Conjugation of (-)-epigallocatechin-3-gallate and protein isolates from large yellow croaker (Pseudosciaena crocea) roe: Improvement of antioxidant activity and structural characteristics.

J Sci Food Agric 2021 Apr 10. Epub 2021 Apr 10.

School of Food Science and Technology, Dalian Polytechnic University, Dalian, Liaoning, 116034, China.

Background: Large yellow croaker (Pseudosciaena crocea) roe is the main by-product in the processing of large yellow croaker. Previous studies have found that its protein isolates are composed of vitellogenin, vitellogenin B and C, having good functional properties. EGCG is a natural antioxidant component, which can be used to combine with protein to improve antioxidant activity and structural characteristics of protein. Read More

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Mammalian-like type II glutaminyl cyclases in Porphyromonas gingivalis and other oral pathogenic bacteria as targets for treatment of periodontitis.

J Biol Chem 2021 Jan 8;296:100263. Epub 2021 Jan 8.

Institut für Biochemie und Biotechnologie, Charles-Tanford-Proteinzentrum, Martin-Luther-Universität Halle-Wittenberg, Halle (Saale), Germany; ZIK HALOmem, Charles-Tanford-Proteinzentrum, Martin-Luther-University Halle-Wittenberg, Halle (Saale), Germany. Electronic address:

The development of a targeted therapy would significantly improve the treatment of periodontitis and its associated diseases including Alzheimer's disease, rheumatoid arthritis, and cardiovascular diseases. Glutaminyl cyclases (QCs) from the oral pathogens Porphyromonas gingivalis, Tannerella forsythia, and Prevotella intermedia represent attractive target enzymes for small-molecule inhibitor development, as their action is likely to stabilize essential periplasmic and outer membrane proteins by N-terminal pyroglutamination. In contrast to other microbial QCs that utilize the so-called type I enzymes, these oral pathogens possess sequences corresponding to type II QCs, observed hitherto only in animals. Read More

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January 2021

Modeling and Predicting RNA Three-Dimensional Structures.

Methods Mol Biol 2021 ;2284:17-42

School of Computer Science, McGill University, Montréal, QC, Canada.

Modeling the three-dimensional structure of RNAs is a milestone toward better understanding and prediction of nucleic acids molecular functions. Physics-based approaches and molecular dynamics simulations are not tractable on large molecules with all-atom models. To address this issue, coarse-grained models of RNA three-dimensional structures have been developed. Read More

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January 2021

Effect of carbamylation on protein structure and adsorption to self-assembled monolayer surfaces.

Colloids Surf B Biointerfaces 2021 Mar 24;203:111719. Epub 2021 Mar 24.

Department of Biomedical Engineering, University of Alberta, Edmonton, AB, T6G 2V2, Canada; Department of Chemical and Materials Engineering, University of Alberta, Edmonton, AB, T6G 1H9, Canada. Electronic address:

Protein adsorption research has primarily focused upon the effects of surface chemistry, with almost no emphasis on how changes to proteins that occur in various disease states may influence their adsorption. One such situation occurs with chronic kidney disease where, despite hemodialysis treatment, the retention of urea within the blood compartment leads to protein carbamylation. Protein carbamylation has been shown to alter the function and structure of proteins. Read More

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Crystal structure of hemoglobin from mouse (Mus musculus) compared with those from other small animals and humans.

Acta Crystallogr F Struct Biol Commun 2021 Apr 1;77(Pt 4):113-120. Epub 2021 Apr 1.

Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025, India.

Mice (Mus musculus) are nocturnal small animals belonging to the rodent family that live in burrows, an environment in which significantly high CO levels prevail. It is expected that mouse hemoglobin (Hb) plays an important role in their adaptation to living in such a high-CO environment, while many other species cannot. In the present study, mouse Hb was purified and crystallized at a physiological pH of 7 in the orthorhombic space group P222; the crystals diffracted to 2. Read More

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Analyzing effect of quadruple multiple sequence alignments on deep learning based protein inter-residue distance prediction.

Sci Rep 2021 Apr 7;11(1):7574. Epub 2021 Apr 7.

Department of Computer Science, Purdue University, West Lafayette, IN, 47907, USA.

Protein 3D structure prediction has advanced significantly in recent years due to improving contact prediction accuracy. This improvement has been largely due to deep learning approaches that predict inter-residue contacts and, more recently, distances using multiple sequence alignments (MSAs). In this work we present AttentiveDist, a novel approach that uses different MSAs generated with different E-values in a single model to increase the co-evolutionary information provided to the model. Read More

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Fascin inhibitor increases intratumoral dendritic cell activation and anti-cancer immunity.

Cell Rep 2021 Apr;35(1):108948

Department of Physiology and Biophysics, Weill Cornell Medical College of Cornell University, New York, NY 10065, USA; Sandra and Edward Meyer Cancer Center, Weill Cornell Medicine of Cornell University, New York, NY 10065, USA. Electronic address:

Fascin protein is the main actin-bundling protein in filopodia and invadopodia, which are critical for tumor cell migration, invasion, and metastasis. Small-molecule fascin inhibitors block tumor invasion and metastasis and increase the overall survival of tumor-bearing mice. Here, we report a finding that fascin blockade additionally reinvigorates anti-tumor immune response in syngeneic mouse models of various cancers. Read More

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A New Turn in Peptide-Based Imaging Agents: Foldamers Afford Improved Theranostics Targeting Cholecystokinin-2 Receptor-Positive Cancer.

J Med Chem 2021 Apr 7. Epub 2021 Apr 7.

Sir Peter MacCallum Department of Oncology, The University of Melbourne, Melbourne, VIC 3010, Australia.

Proteins adopt unique folded secondary and tertiary structures that are responsible for their remarkable biological properties. This structural complexity is key in designing efficacious peptides that can mimic the three-dimensional structure needed for biological function. In this study, we employ different chemical strategies to induce and stabilize a β-hairpin fold of peptides targeting cholecystokinin-2 receptors for theranostic application (combination of a targeted therapeutic and a diagnostic companion). Read More

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Small molecule targeting of biologically relevant RNA tertiary and quaternary structures.

Cell Chem Biol 2021 Apr 1. Epub 2021 Apr 1.

Department of Chemistry, Duke University, Durham, NC 27707, USA. Electronic address:

Initial successes in developing small molecule ligands for non-coding RNAs have underscored their potential as therapeutic targets. More recently, these successes have been aided by advances in biophysical and structural techniques for identification and characterization of more complex RNA structures; these higher-level folds present protein-like binding pockets that offer opportunities to design small molecules that could achieve a degree of selectivity often hard to obtain at the primary and secondary structure level. More specifically, identification and small molecule targeting of RNA tertiary and quaternary structures have allowed researchers to probe several human diseases and have resulted in promising clinical candidates. Read More

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In Silico investigation of the viroporin E as a vaccine target against SARS-CoV-2.

Am J Physiol Lung Cell Mol Physiol 2021 Apr 6. Epub 2021 Apr 6.

Department of Physiology, University Of Thessaly, Greece.

Viroporins, integral viral membrane ion channel proteins, interact with host-cell proteins deregulating physiological processes and activating inflammasomes. Severity of COVID-19 might be associated with hyperinflammation, thus we aimed at the complete immunoinformatic analysis of the SARS-CoV-2 viroporin E, P0DTC4. We also identified the human proteins interacting with P0DTC4 and the enriched molecular functions of the corresponding genes. Read More

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Psychometric properties of the Chinese version of the attitude towards the prevention of incontinence-associated dermatitis (C-APrIAD) among Chinese nurses.

J Tissue Viability 2021 Mar 28. Epub 2021 Mar 28.

School of Nursing, Peking University, Beijing, China. Electronic address:

Aim: Nurses' attitude is a significant determinant of incontinence-associated dermatitis (IAD) prevention, and a positive attitude may benefit quality improvement projects. This research aimed to translate the attitude towards the prevention of incontinence-associated dermatitis instrument (C-APrIAD) into Chinese and test the reliability and validity among Chinese nurses.

Methods: The C-APrIAD was translated into Chinese using a standard procedure of backward-forward translation and cross-cultural adaption. Read More

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Comparison of Ultrasound-Guided Central Venous Catheter Placement Techniques Using an Easily Made Simulator Model.

Prehosp Disaster Med 2021 Apr 5:1-5. Epub 2021 Apr 5.

Department of Emergency Medicine, University of Health Sciences Tepecik Training and Research Hospital, Izmir, Turkey.

Objectives: Central venous catheter (CVC) placement is an important procedure which is frequently performed in the emergency department (ED) and can cause serious complications. The aim of this study is to introduce a simulation-based tissue model for ultrasound (US)-guided central venous access practices and to compare the effectiveness of static and dynamic US techniques through this model.

Methods: This was a prospective study on US-guided CVC placement techniques simulated with a chicken tissue model. Read More

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Nuclear-lipid-droplet proteome: carboxylesterase as a nuclear lipase involved in lipid-droplet homeostasis.

Heliyon 2021 Mar 17;7(3):e06539. Epub 2021 Mar 17.

Instituto de Investigaciones Bioquímicas de La Plata "Profesor Doctor Rodolfo R. Brenner" (INIBIOLP-CCT-La Plata-CONICET-UNLP), La Plata, Argentina.

Nuclear-lipid droplets (nLD)-a dynamic cellular organelle that stores neutral lipids, within the nucleus of eukaryotic cells-consists of a hydrophobic triacylglycerol -cholesterol-ester core enriched in oleic acid (OA) surrounded by a monolayer of polar lipids, cholesterol, and proteins. nLD are probably involved in nuclear-lipid homeostasis serving as an endonuclear buffer that provides or incorporates lipids and proteins participating in signaling pathways, as transcription factors and enzymes of lipid metabolism and nuclear processes. In the present work, we analyzed the nLD proteome and hypothesized that nLD-monolayer proteins could be involved in processes similar as the ones occurring in the cLD including lipid metabolism and other cellular functions. Read More

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Structural and Biochemical Analysis of OrfG: The VirB8-like Component of the Conjugative Type IV Secretion System of ICE From .

Front Mol Biosci 2021 18;8:642606. Epub 2021 Mar 18.

Université de Lorraine, INRAE, DynAMic, Nancy, France.

Conjugative transfer is a major threat to global health since it contributes to the spread of antibiotic resistance genes and virulence factors among commensal and pathogenic bacteria. To allow their transfer, mobile genetic elements including Integrative and Conjugative Elements (ICEs) use a specialized conjugative apparatus related to Type IV secretion systems (Conj-T4SS). Therefore, Conj-T4SSs are excellent targets for strategies that aim to limit the spread of antibiotic resistance. Read More

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