A model of SARS-CoV-2 spike transmembrane domain linked to the HR2 region: structural organisation and possible role in membrane fusion

by Elena Aliper | Nikolay A. Krylov | Dmitry E. Nolde | Anton A. Polyansky | Roman G. Efremov | Shemyakin-Ovchinnikov Institute of Bioorganic Chemistry Here we present the results of modelling SARS-CoV-2 spike transmembrane domain using a new comprehensive framework of computational tools, as well as discuss the performance of the final model in […]

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Application of X-Ray, SAXS and essential dynamics simulations to study conformational transitions of oligopeptidase B

by Bershatsky Yaroslav | Vladimir V. Britikov | Elena V. Britikova | Dmitry E. Petrenko | Vladimir I. Timofeev | Anna G. Mikhailova | Tatiana V. Rakitina | Moscow Institute of Physics and Technology (State University), Dolgoprudny, Moscow Region, Russia | Institute of Bioorganic Chemistry, National Academy of Sciences of Belarus, Minsk, Belarus | Institute […]

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Small-angle X-ray scattering study of histone-like protein from Spiroplasma melliferum in solution

by Volynsky Pavel | Gaponov Y. | Altukhov D. | Vladimir I. Timofeev | Agapova Y. | Bocharov E. | Shtykova E. | Tatiana V. Rakitina | Shemyakin-Ovchinnikov Institute of Bioorganic Chemistry RAS, Moscow, Russia | National Research Center “Kurchatov Institute”, 119333 Moscow, Russian Federation | A. V. Shubnikov Institute of Crystallography, FSRC ‘Crystallography and Photonics’, […]

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Developing an accurate force field for simulating modified RNA

by Ansuman Lahiri | University of Calcutta Post-transcriptional modifications occur extensively in RNA and provide an additional layer of chemical coding that presumably alters the chemistry, structure and dynamics of the molecules. Molecular dynamics simulations offer a convenient tool to elucidate the mechanisms underlying the roles played by such modifications. However, since the reliability of […]

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Bending compliance of lipid bilayer regulates the curvature threshold and pathway of membrane structural stability loss

by Pavel Bashkirov | Piotr Kuzmin | Pedro Arrasate | Anna Shnyrova | Vadim Frolov | Scientific Research Institute for Systems Biology and Medicine, Moscow, Russia | A.N. Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences, Moscow, Russia | Biofisika Institute (CSIC, UPV/EHU), University of the Basque Country, Leioa, Spain | Ikerbasque, […]

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Analysis of binding properties of influenza hemagglutinins and human receptor analog

by Vasily Unguryan | Novosibirsk State University, State Research Center of Virology and Biotechnology VECTOR Motivation and Aim: The surface protein of the influenza virus, hemagglutinin, plays a key role in the virus entry into the cell. When infecting a cell, the virus first binds to a receptor on the cell membrane surface, followed by […]

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Structure features of novel D-amino acid transaminase from Aminobacterium colombiense

by Shilova S., Nikolaeva A., Rakitina T., Matuta I., Boyko K. , Bezsudnova E. | Bach Institute of Biochemistry, Research Centre of Biotechnology of the Russian Academy of Sciences, Moscow, Russia | Complex of NBICS Technologies, National Research Center “Kurchatov Institute”, Moscow, Russia D-amino acid transaminases (DAATs) are pyridoxal-5′-phosphate-(PLP)-dependent enzymes that catalyze reversible and stereoselective […]

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Interaction of D-cycloserine with a D-amino acid transaminase from Haliscomenobacter hydrossis

by Alina K. Bakunova | Bach Institute of Biochemistry, Research Centre of Biotechnology of the Russian Academy of Sciences, Moscow, Russia Motivation and Aim: Studying the structures of enzyme complexes with inhibitors is a great way to explore the substrate recognition mode of the enzyme. Recently, we characterized pyridoxal-5’- phosphate (PLP)-dependent D-amino acid transaminase (DAAT) […]

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G-quadruplex DNA structures in the genomes of Human Papilomavirus types 16, 18 and 58: Promising molecular targets

by Nancy Joseline Ontiveros Euán | Nuvia Kantún Moreno | Jorge Montero Muñoz | Universidad Autónoma de Yucatán, Yucatán, México; Centro de investigación Regional Dr. Hideyo Noguchi, Tucatán,México | Centro de investigación Regional Dr. Hideyo Noguchi, Yucatan, Mexico | Centro de Investigación y de Estudios Avanzados del Instituto Politécnico Nacional, Unidad Mérida, Yucatán, México  

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