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https://www.readbyqxmd.com/read/29458124/tryptophan-mediated-dimerization-of-the-tssl-transmembrane-anchor-is-required-for-type-vi-secretion-system-activity
#1
Abdelrahim Zoued, Jean-Pierre Duneau, Eric Durand, Alexandre P España, Laure Journet, Françoise Guerlesquin, Eric Cascales
The Type VI secretion system (T6SS) is a multiprotein complex used by bacteria to deliver effectors into target cells. The T6SS comprises a bacteriophage-like contractile tail structure anchored to the cell envelope by a membrane complex constituted of the TssJ outer membrane lipoprotein and the TssL and TssM inner membrane proteins. TssJ establishes contact with the periplasmic domain of TssM whereas the transmembrane segments of TssM and its cytoplasmic domain interact with TssL. TssL protrudes in the cytoplasm but is anchored by a C-terminal transmembrane helix (TMH)...
February 16, 2018: Journal of Molecular Biology
https://www.readbyqxmd.com/read/29457857/towards-structural-studies-of-self-assembled-subviral-particles-combining-cell-free-expression-with-100-khz-mas-nmr
#2
Guillaume David, Marie-Laure Fogeron, Maarten Schledorn, Roland Montserret, Uta Haselmann, Susanne Penzel, Aurelie Badillo, Lauriane Lecoq, Patrice André, Michael Nassal, Ralf Bartenschlager, Beat H Meier, Anja Böckmann
Viral membrane proteins are prime targets in the combat against infection. Still, their structure determination remains a challenge, both with respect to sample preparation, and the need for structural methods allowing analysis in a native-like lipid environment. Cell-free protein synthesis and solid-state NMR are promising approaches in this context, one with respect to its high potential of native expression of complex proteins, and the other for its ability to analyze membrane proteins in lipids. We here show that milligram amounts of the small envelope protein of the duck hepatitis B virus (DHBV) can be produced using cell-free expression, and that the protein self-assembles into subviral particles...
February 19, 2018: Angewandte Chemie
https://www.readbyqxmd.com/read/29457729/assessing-interactions-between-a-polytopic-membrane-protein-and-lipid-bilayers-using-differential-scanning-calorimetry-and-solid-state-nmr
#3
James R Banigan, Maureen Leninger, Ampon Sae Her, Nathaniel J Traaseth
It is known that the lipid composition within a cellular membrane can influence membrane protein structure and function. In this Article, we investigated how structural changes to a membrane protein upon substrate binding can impact the lipid bilayer. To carry out this study, we reconstituted the secondary active drug transporter EmrE into a variety of phospholipid bilayers varying in headgroup and chain length and carried out differential scanning calorimetry (DSC) and solid-state NMR experiments. The DSC results revealed a difference in cooperativity of the lipid phase transition for drug-free EmrE protonated at glutamic acid 14 (i...
February 19, 2018: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/29457687/substrate-binding-drives-active-site-closing-of-human-blood-group-b-galactosyltransferase-as-revealed-by-hot-spot-labeling-and-nmr-experiments
#4
Thomas Peters, Sophie Weissbach, Friedemann Flügge
Crystallography has shown that human blood group A (GTA) and B (GTB) glycosyltransferases undergo transitions between "open", "semi-closed", and "closed" conformations upon substrate binding. However, the time scales of corresponding conformational reorientations are unknown. Crystal structures show that Trp and Met residues are located at "conformational hot spots" of the enzymes. Therefore, we have utilized 15N-side chain labeling of Trp residues, and 13C-methyl labeling of Met residues to study substrate induced conformational transitions of GTB...
February 19, 2018: Chembiochem: a European Journal of Chemical Biology
https://www.readbyqxmd.com/read/29457664/production-and-structural-analysis-of-membrane-anchored-proteins-in-phospholipid-nanodiscs
#5
Kolio Raltchev, Joka Pipercevic, Franz Hagn
Structural studies on membrane-anchored proteins containing a transmembrane (TM) helix has been hampered by difficulties in producing these proteins in a natively folded form. Detergents that are required to solubilize the hydrophobic TM helix usually destabilize the soluble domain. Thus, TM helices are removed for structural studies, which neglects the pivotal role of a membrane on protein function. Here, we present a versatile strategy for the production of this protein class attached to phospholipid nanodiscs...
February 19, 2018: Chemistry: a European Journal
https://www.readbyqxmd.com/read/29456802/hts-by-nmr-for-the-identification-of-potent-and-selective-inhibitors-of-metalloenzymes
#6
Carlo Baggio, Linda Cerofolini, Marco Fragai, Claudio Luchinat, Maurizio Pellecchia
We have recently proposed a novel drug discovery approach based on biophysical screening of focused positional scanning libraries in which each element of the library contained a common binding moiety for the given target or class of targets. In this Letter, we report on the implementation of this approach to target metal containing proteins. In our implementation, we first derived a focused positional scanning combinatorial library of peptide mimetics (of approximately 100,000 compounds) in which each element of the library contained the metal-chelating moiety hydroxamic acid at the C-terminal...
February 8, 2018: ACS Medicinal Chemistry Letters
https://www.readbyqxmd.com/read/29455054/seco-labdane-diterpenoids-from-the-leaves-of-callicarpa-nudiflora-showing-nitric-oxide-inhibitory-activity
#7
Xiaocong Sun, Feng Liu, Xueyuan Yang, Jinghan Wang, Bangjian Dong, Chunfeng Xie, Da-Qing Jin, Jie Zhang, Dongho Lee, Yasushi Ohizumi, Jing Xu, Yuanqiang Guo
Nine previously undescribed seco-labdane diterpenoids, nudiflopenes A-I, were isolated from the leaves of Callicarpa nudiflora. Their structures were elucidated on the basis of extensive 1D and 2D NMR spectroscopic data analysis, and the absolute configurations of these compounds were established by the modified Mosher's method and experimental and calculated electronic circular dichroism spectra. Nudiflopenes A-I belong to the class of seco-labdane diterpenoids. All of the isolates showed inhibitory activities on lipopolysaccharide-induced nitric oxide (NO) production in murine microglial BV-2 cells...
February 15, 2018: Phytochemistry
https://www.readbyqxmd.com/read/29453714/backbone-1-h-13-c-and-15-n-assignments-of-the-extracellular-region-of-human-fc%C3%AE-receptor-iiib
#8
Rina Yogo, Saeko Yanaka, Koichi Kato
Fcγ receptor (FcγR) promotes various immune responses through interactions with the Fc portion of immunoglobulin G (IgG). FcγRIIIb is a glycosylphosphatidylinositol-linked protein expressed on neutrophils and triggers degranulation and opsonic phagocytosis. The extracellular region of FcγR is composed of two Ig-fold domains and can be cleaved as a soluble form (sFcγRIIIb), which is also reactive with complement receptor type 3. Although structure and Fc interaction of sFcγRIIIb have been characterized by X-ray crystallography, little has been known about its structure in solution...
February 16, 2018: Biomolecular NMR Assignments
https://www.readbyqxmd.com/read/29453713/-1-h-13-c-and-15-n-resonance-assignments-of-cw-domain-of-the-n-methyltransferase-ashh2-free-and-bound-to-the-mono-di-and-tri-methylated-histone-h3-tail-peptides
#9
Olena Dobrovolska, Maxim Bril'kov, Øyvind Ødegård-Fougner, Rein Aasland, Øyvind Halskau
The ASHH2 CW domain is responsible for recognizing the methylation state at lysine 4 of histone 3 N-terminal tails and implicated in the recruitment of the ASHH2 methyltransferase enzyme correctly to the histones. The ASHH2 CW domain binds H3 lysine motifs that can be either mono-, di-, or tri-methylated [ARTK(meX)QTAR, where X denotes the number of methylations], but binds strongest to monomethylated instances (K d values reported in the range of 1 µm to 500 nM). Hoppmann et al. published the uncomplexed NMR structure of an ASHH2 CW domain in 2011...
February 16, 2018: Biomolecular NMR Assignments
https://www.readbyqxmd.com/read/29453276/entropy-drives-selective-fluorine-recognition-in-the-fluoroacetyl-coa-thioesterase-from-streptomyces-cattleya
#10
Amy M Weeks, Ningkun Wang, Jeffrey G Pelton, Michelle C Y Chang
Fluorinated small molecules play an important role in the design of bioactive compounds for a broad range of applications. As such, there is strong interest in developing a deeper understanding of how fluorine affects the interaction of these ligands with their targets. Given the small number of fluorinated metabolites identified to date, insights into fluorine recognition have been provided almost entirely by synthetic systems. The fluoroacetyl-CoA thioesterase (FlK) from Streptomyces cattleya thus provides a unique opportunity to study an enzyme-ligand pair that has been evolutionarily optimized for a surprisingly high 10 6 selectivity for a single fluorine substituent...
February 16, 2018: Proceedings of the National Academy of Sciences of the United States of America
https://www.readbyqxmd.com/read/29451338/can-dimedone-be-used-to-study-selenoproteins-an-investigation-into-the-reactivity-of-dimedone-towards-oxidized-forms-of-selenocysteine
#11
N Connor Payne, Drew R Barber, Erik L Ruggles, Robert J Hondal
Dimedone is a widely used reagent to assess the redox state of cysteine-containing proteins as it will alkylate sulfenic acid residues, but not sulfinic acid residues. While it has been reported that dimedone can label selenenic acid residues in selenoproteins, we investigated the stability, and reversibility of this label in a model peptide system. We also wondered whether dimedone could be used to detect seleninic acid residues. We used benzenesulfinic acid, benzeneseleninic acid, and model selenocysteine-containing peptides to investigate possible reactions with dimedone...
February 16, 2018: Protein Science: a Publication of the Protein Society
https://www.readbyqxmd.com/read/29450991/mass-spectrometry-based-fast-photochemical-oxidation-of-proteins-fpop-for-higher-order-structure-characterization
#12
Ke Sherry Li, Liuqing Shi, Michael L Gross
Assessment of protein structure and interaction is crucial for understanding protein structure/function relationships. Compared to high-resolution structural tools, including X-ray crystallography, nuclear magnetic resonance (NMR), and cryo-EM, and traditional low-resolution methods, such as circular dichroism, UV-vis, and florescence spectroscopy, mass spectrometry (MS)-based protein footprinting affords medium-to-high resolution (i.e., regional and residue-specific insights) by taking advantage of proteomics methods focused on the primary structure...
February 16, 2018: Accounts of Chemical Research
https://www.readbyqxmd.com/read/29450824/solid-state-13-c-15-n-nmr-resonance-assignment-of-hepatitis-b-virus-core-protein
#13
Lauriane Lecoq, Shishan Wang, Thomas Wiegand, Stéphane Bressanelli, Michael Nassal, Beat H Meier, Anja Böckmann
Each year, nearly 900,000 deaths are due to serious liver diseases caused by chronic hepatitis B virus infection. The viral particle is composed of an outer envelope and an inner icosahedral nucleocapsid formed by multiple dimers of a ~ 20 kDa self-assembling core protein (Cp). Here we report the solid-state 13 C and 15 N resonance assignments of the assembly domain, Cp149, of the core protein in its capsid form. A secondary chemical shift analysis of the 140 visible residues suggests an overall alpha-helical three-dimensional fold matching that derived for Cp149 from the X-ray crystallography of the capsid, and from solution-state NMR of the Cp149 dimer...
February 16, 2018: Biomolecular NMR Assignments
https://www.readbyqxmd.com/read/29450823/nmr-resonance-assignments-of-rnase-p-protein-from-thermotoga-maritima
#14
Danyun Zeng, Benjamin P Brown, Markus W Voehler, Sheng Cai, Nicholas J Reiter
Ribonuclase P (RNase P) is an essential metallo-endonuclease that catalyzes 5' precursor-tRNA (ptRNA) processing and exists as an RNA-based enzyme in bacteria, archaea, and eukaryotes. In bacteria, a large catalytic RNA and a small protein component assemble to recognize and accurately cleave ptRNA and tRNA-like molecular scaffolds. Substrate recognition of ptRNA by bacterial RNase P requires RNA-RNA shape complementarity, intermolecular base pairing, and a dynamic protein-ptRNA binding interface. To gain insight into the binding specificity and dynamics of the bacterial protein-ptRNA interface, we report the backbone and side chain 1 H, 13 C, and 15 N resonance assignments of the hyperthermophilic Thermatoga maritima RNase P protein in solution at 318 K...
February 15, 2018: Biomolecular NMR Assignments
https://www.readbyqxmd.com/read/29448205/6-7-dimethoxy-1-2-3-4-tetrahydro-isoquinoline-3-carboxylic-acid-attenuates-colon-carcinogenesis-via-blockade-of-il-6-mediated-signals
#15
Priyanka Mishra, Vinit Raj, Archana S Bhadauria, Ashok K Singh, Amit Rai, Pranesh Kumar, Amit K Keshari, Arnab De, Amalesh Samanta, Umesh Kumar, Dinesh Kumar, Biswanath Maity, Sneha Nath, Anand Prakash, Kausar M Ansari, Sudipta Saha
In this study, we investigated the in vivo antiproliferative activity of 6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid (M1) in dimethylhydrazine (DMH) induced colorectal carcinoma (CRC) using albino Wistar rats. M1 was administered to DMH induced CRC rats at 10 and 25 mg/kg doses for 15 days. Various physiological, oxidative parameters, histopathology, ELISA, gene and protein expression studies were conducted to evaluate the anti-CRC potential of M1. The histopathology and biochemical tests indicated the protective action of M1 in DMH-induced colon cancer...
February 12, 2018: Biomedicine & Pharmacotherapy, Biomédecine & Pharmacothérapie
https://www.readbyqxmd.com/read/29448144/nanocements-produced-from-mesoporous-bioactive-glass-nanoparticles
#16
Min Sil Kang, Na-Hyun Lee, Rajendra K Singh, Nandin Mandakhbayar, Roman A Perez, Jung-Hwan Lee, Hae-Won Kim
Biomedical cements are considered promising injectable materials for bone repair and regeneration. Calcium phosphate composition sized with tens of micrometers is currently one of the major powder forms. Here we report a unique cement form made from mesoporous bioactive glass nanoparticles (BGn). The nanopowder could harden in reaction with aqueous solution at powder-to-liquid ratios as low as 0.4-0.5 (vs. 2.0-3.0 for conventional calcium phosphate cement CPC). The cementation mechanism investigated from TEM, XRD, FT-IR, XPS, and NMR analyses was demonstrated to be the ionic (Si and Ca) dissolution and then reprecipitation to form Si-Ca-(P) based amorphous nano-islands that could network the particles...
February 3, 2018: Biomaterials
https://www.readbyqxmd.com/read/29448142/metabolomics-facilitates-the-discrimination-of-the-specific-anti-cancer-effects-of-free-and-polymer-conjugated-doxorubicin-in-breast-cancer-models
#17
Ana Armiñán, Martina Palomino-Schätzlein, Coralie Deladriere, Juan J Arroyo-Crespo, Sonia Vicente-Ruiz, María J Vicent, Antonio Pineda-Lucena
Metabolomics is becoming a relevant tool for understanding the molecular mechanisms involved in the response to new drug delivery systems. The applicability of this experimental approach to cell cultures and animal models makes metabolomics a useful tool for establishing direct connections between in vitro and in vivo data, thus providing a reliable platform for the characterization of chemotherapeutic agents. Herein, we used metabolomic profiles based on nuclear magnetic resonance (NMR) spectroscopy to evaluate the biochemical pathways involved in the response to a chemotherapeutic anthracycline drug (Doxorubicin, Dox) and an N-(2-hydroxypropyl) methacrylamide (HPMA) copolymer-conjugated form (HPMA-Dox) in an in vitro cell culture model and an in vivo orthotopic breast cancer model...
February 8, 2018: Biomaterials
https://www.readbyqxmd.com/read/29447443/inhibitor-bound-dengue-ns2b-ns3pro-reveals-multiple-dynamic-binding-modes
#18
Alan C Gibbs, Ruth Steele, Gaohua Liu, Brett A Tounge, Gaetano Montelione
Dengue virus poses a significant global health threat as the source of increasingly deleterious dengue fever, dengue hemorrhagic fever, and dengue shock syndrome. As no specific antiviral treatment exists for dengue infection, considerable effort is being applied to discover therapies and drugs for maintenance and prevention of these afflictions. The virus is primarily transmitted by mosquitoes, and infection occurs following viral endocytosis by host cells. Upon entering the cell, viral RNA is translated into a large multi-subunit polyprotein which is post-translationally cleaved into mature, structural and non-structural (NS) proteins...
February 15, 2018: Biochemistry
https://www.readbyqxmd.com/read/29446497/specific-interaction-sites-determine-differential-adsorption-of-protein-structural-isomers-to-nanoparticle-surfaces
#19
Andrea Bortot, Serena Zanzoni, Mariapina D'Onofrio, Michael Assfalg
In biological milieus, nanoparticles (NPs) elicit bioactivity upon interaction with proteins. As a result of post-translational modification, proteins occur in a variety of alternative covalent forms, including structural isomers, which present unique molecular surfaces. We aimed at a detailed description of the recognition of protein isomeric species by NP surfaces. The transient adsorption of isomeric Ub dimers to NPs was investigated by solution NMR spectroscopy. Lys63-linked Ub2 and Lys48-linked Ub2 adsorbed to large anionic NPs with different affinity, while the binding strength was similar in the case of smaller particles...
February 15, 2018: Chemistry: a European Journal
https://www.readbyqxmd.com/read/29444403/plant-villin-headpiece-domain-demonstrates-a-novel-surface-charge-pattern-and-high-affinity-for-f-actin
#20
Heather L Miears, David R Gruber, Nicholas M Horvath, John M Antos, Jeff Young, Johann P Sigurjonsson, Maya L Klem, Erin A Rosenkranz, Mark Okon, Christopher James McKnight, Liliya Vugmeyster, Serge L Smirnov
Plants utilize multiple isoforms of villin, an F-actin regulating protein with an N-terminal gelsolin-like core and a distinct C-terminal headpiece domain. Unlike their vertebrate homologs, plant villins have a much longer linker polypeptide connecting the core and headpiece. Moreover, the linker-headpiece connection region in plant villins lack sequence homology to the vertebrate villin sequences. It is unknown to what extent the plant villin headpiece structure and function resemble those of the well-studied vertebrate counterparts...
February 14, 2018: Biochemistry
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