Biological NMR

  • Hot and bothered: understanding the metabolic effects of heat stress in feedlot cattle using NMR-based metabolomics and clinical biochemistry

    Alexandra Gloria – @_AGloria

    Feedlot cattle are crucial to Australia’s livestock industry, supplying beef for domestic and export markets. High summer temperatures and humidity increase heat stress vulnerability, impacting growth, productivity, and welfare. We use NMR-based metabolomics and clinical biochemistry to understand the metabolic effects of heat stress to help mitigate its impact.

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  • Understanding the functional dynamics of PV-3C(D) and RNA interactions

    Somnath Mondal – @somomsom

    The picornaviral 3C(D) protein is a vital protease that cleaves viral polyproteins and host cell defense proteins, interacting with replication elements to control replication and translation. Its interaction with RNA, causing liquid-liquid phase separation, could influence viral apoptosis and infection in the host cells.

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  • NMR-Based Structural Insight into DNA G-Quadruplex

    Julia Pakuła – @x_yuliya_x

    Emerging as a promising area in anticancer research, noncanonical DNA structures such as G-quadruplexes are studied using NMR spectroscopy. NOESY spectra reveals crucial interactions between ligands and G-quadruplexes, helping to understand non-covalent binding mechanisms. This knowledge is essential for rational drug design targeting these structures.

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  • “My roommate fought off the intruders!” – Characterising the virus-repressing effect of Wolbachia in Drosophila melanogaster

    Sarah Walsh – @SarahW29329

    Wolbachia, a common endosymbiont of insects, exerts significant antiviral effects. This phenomenon is valuable in reducing the spread of arboviruses, such as dengue. Employing NMR metabolomics, we uncover that in virus-infected Drosophila melanogaster Wolbachia drives host metabolism in a way that inhibits RNA virus replication both directly and indirectly.

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  • NMR experiments to study inhibition of enzymes that confer bacterial resistance

    Yara Lins Rocha – @YaraLRocha

    Enzymes belonging to the Carbapenem-Hydrolyzing Class D β-lactamases (CHDL’s) confer bacterial resistance to β-lactam antibiotics and are often associated with outbreaks involving the pathogenic bacteria Acinetobacter baumannii. We report the inhibition of CHDL OXA-143 by the reaction product with meropenem, a carbapenem antibiotic, in addition to describing its effect on protein structure and dynamics. Kinetic 1H-NMR experiments were performed to assess how hMER interferes with the catalytic efficiency of the enzyme against ampicillin and meropenem itself, indicating a clear inhibition. Chemical shift perturbation (CSP) was performed using 15N-HSQC and 15N-TROSY titration experiments. The results indicate that hMER acts as a competitive inhibitor blocking the active site and decreasing the dynamics of essential motifs around the binding site.

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  • Conformational Plasticity of Parallel G-quadruplex – Implications on Duplex-Quadruplex Motifs

    Rajesh Kumar Reddy Sannapureddi – @RR_Sannapureddi

    Parallel G-quadruplexes formed by guanine rich sequences are ubiquitously formed in promoter, telomere regions. Structural and dynamic features associated with them is presented in details from structure survey, solution state NMR studies and MD simulations. Impact of covalently attached duplex on parallel quadruplex discerned from NMR studies are presented.

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  • Altering a protein’s conformational space differentially regulates the host signalling pathway

    Apurva phale – @ApurvaPhale

    Viruses mimic host proteins to evade their immune response. A few baculoviruses do this by mimicking a widely present protein, ubiquitin. Interestingly, this viral protein can differentially regulate the forward and reverse pathways, not by changing the interaction interface but by modulating the protein’s conformational space as observed by eCPMG-NMR.

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  • Study of phosphorus clusters in tau fragment fibrils via multiple quantum solid-state NMR under DNP

    Lokeswara Rao – @lokeswarnmr

    Hyperphosphorylation of the protein tau is a characteristic of neurodegenerative diseases, yet its role is not entirely clear in promoting the tau aggregation propensity. Multiple quantum spin counting experiments were carried out to probe the phosphate species clustering and beta-sheet organization in the fibrils of phosphorylated tau fragments.

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  • Yesterday’s Software for Tomorrow’s Solutions!

    Simon P. Skinner – @nmronline

    Host-guest interactions in MOFs are key to their performance in various applications. Solid-state NMR can probe these interactions, however, with limited sensitivity. I will demonstrate how endogenous metal-ion DNP can tackle this challenge, keeping MOF pores empty for guests, and discuss the effect of MOFs mobility and molecular O2 on the DNP efficacy.

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  • Probing the dynamics of YadA autotransporter in microcrystals and outer membranes hints at requirements for beta-barrel membrane insertion

    Jayasubba Reddy Yarava – @JYarava

    Most types of cells are protected and functionalized by a dense surface layer of glycans, proteoglycans, and glycolipids. This surface represents an under-explored space in structural biology that is almost impossible to recreate in vitro. Here, a realistic picture of YadA dynamics in asymmetric outer membrane environment was investigated using ssNMR and MD simulations.

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