Search Results - "Manjunath, Kavyashree"
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COVID-19 pandemic: Insights into structure, function, and hACE2 receptor recognition by SARS-CoV-2
Published in PLoS pathogens (01-08-2020)“…Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2) is a newly emerging, highly transmissible, and pathogenic coronavirus in humans that has caused…”
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Mechanistic insights into global suppressors of protein folding defects
Published in PLoS genetics (29-08-2022)“…Most amino acid substitutions in a protein either lead to partial loss-of-function or are near neutral. Several studies have shown the existence of second-site…”
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Prediction of Residue-specific Contributions to Binding and Thermal Stability Using Yeast Surface Display
Published in Frontiers in molecular biosciences (21-01-2022)“…Accurate prediction of residue burial as well as quantitative prediction of residue-specific contributions to protein stability and activity is challenging,…”
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Differential activities of the two closely related withanolides, Withaferin A and Withanone: bioinformatics and experimental evidences
Published in PloS one (04-09-2012)“…Withanolides are naturally occurring chemical compounds. They are secondary metabolites produced via oxidation of steroids and structurally consist of a…”
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Target-based drug discovery: Applications of fluorescence techniques in high throughput and fragment-based screening
Published in Heliyon (15-01-2024)“…Target-based discovery of first-in-class therapeutics demands an in-depth understanding of the molecular mechanisms underlying human diseases. Precise…”
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Combining cysteine scanning with chemical labeling to map protein-protein interactions and infer bound structure in an intrinsically disordered region
Published in Frontiers in molecular biosciences (07-10-2022)“…The Mycobacterium tuberculosis genome harbours nine toxin-antitoxin (TA) systems of the mazEF family. These consist of two proteins, a toxin and an antitoxin,…”
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Structural and functional determinants inferred from deep mutational scans
Published in Protein science (01-07-2022)“…Mutations that affect protein binding to a cognate partner primarily occur either at buried residues or at exposed residues directly involved in partner…”
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Molecular Dynamics Perspective on the Protein Thermal Stability: A Case Study Using SAICAR Synthetase
Published in Journal of chemical information and modeling (23-09-2013)“…The enzyme SAICAR synthetase ligates aspartate with CAIR (5′-phosphoribosyl-4-carboxy-5-aminoimidazole) forming SAICAR…”
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Identification of stabilizing point mutations through mutagenesis of destabilized protein libraries
Published in The Journal of biological chemistry (01-04-2022)“…Although there have been recent transformative advances in the area of protein structure prediction, prediction of point mutations that improve protein…”
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Mutational scan inferred binding energetics and structure in intrinsically disordered protein CcdA
Published in Protein science (01-03-2023)“…Unlike globular proteins, mutational effects on the function of Intrinsically Disordered Proteins (IDPs) are not well‐studied. Deep Mutational Scanning of a…”
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A facile method of mapping HIV-1 neutralizing epitopes using chemically masked cysteines and deep sequencing
Published in Proceedings of the National Academy of Sciences - PNAS (24-11-2020)“…Identification of specific epitopes targeted by neutralizing antibodies is essential to advance epitope-based vaccine design strategies. We report a facile…”
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Catalytic pathway, substrate binding and stability in SAICAR synthetase: A structure and molecular dynamics study
Published in Journal of structural biology (01-07-2015)“…The de novo purine biosynthesis is one of the highly conserved pathways among all organisms and is essential for the cell viability. A clear understanding of…”
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Targeting Phosphopeptide Recognition by the Human BRCA1 Tandem BRCT Domain to Interrupt BRCA1-Dependent Signaling
Published in Cell chemical biology (21-06-2018)“…Intracellular signals triggered by DNA breakage flow through proteins containing BRCT (BRCA1 C-terminal) domains. This family, comprising 23 conserved…”
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Structure of SAICAR synthetase from Pyrococcus horikoshii OT3: Insights into thermal stability
Published in International journal of biological macromolecules (01-02-2013)“…The first native crystal structure of Phosphoribosylaminoimidazole-succinocarboxamide synthetase (SAICAR synthetase) from a hyperthermophilic organism…”
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Cloning, expression, purification, crystallization and preliminary X-ray crystallographic study of the putative SAICAR synthetase (PH0239) from Pyrococcus horikoshii OT3
Published in Acta crystallographica. Section F, Structural biology and crystallization communications (01-02-2010)“…The study of proteins involved in de novo biosynthesis of purine nucleotides is central in the development of antibiotics and anticancer drugs. In view of…”
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