Browse our latest Structural Biology and Molecular Biophysics articles

Page 29 of 183
    1. Structural Biology and Molecular Biophysics

    Explicit ion modeling predicts physicochemical interactions for chromatin organization

    Xingcheng Lin, Bin Zhang
    The physicochemical interactions among wild-type nucleosomes hold substantial significance and play a role in chromatin folding under physiological salt concentrations.
    1. Structural Biology and Molecular Biophysics

    Discovery of lipid binding sites in a ligand-gated ion channel by integrating simulations and cryo-EM

    Cathrine Bergh, Urška Rovšnik ... Erik Lindahl
    A combination of molecular dynamics simulations and electron cryomicroscopy characterizes interactions of a pentameric ligand-gated ion channel with 25 lipid molecules, specifically in a functional state in which they were not previously observed.
    1. Neuroscience
    2. Structural Biology and Molecular Biophysics

    Exploring the K+ binding site and its coupling to transport in the neurotransmitter:sodium symporter LeuT

    Solveig G Schmidt, Andreas Nygaard ... Claus J Loland
    Potassium presumably binds to the Na1 site in LeuT, playing a role in inwardly rectifying the transport of substrates.
    1. Biochemistry and Chemical Biology
    2. Structural Biology and Molecular Biophysics

    Tracing the substrate translocation mechanism in P-glycoprotein

    Theresa Gewering, Deepali Waghray ... Qinghai Zhang
    New P-glycoprotein structures reveal a substrate translocation mechanism and pathway across lipid bilayers that challenges ATP-binding cassette transporter norms.
    1. Biochemistry and Chemical Biology
    2. Structural Biology and Molecular Biophysics

    Double and triple thermodynamic mutant cycles reveal the basis for specific MsbA-lipid interactions

    Jixing Lyu, Tianqi Zhang ... Arthur Laganowsky
    Native mass spectrometry reveals the thermodynamic basis for high-affinity lipid binding to the ABC transporter MsbA.
    1. Microbiology and Infectious Disease
    2. Structural Biology and Molecular Biophysics

    A Vibrio cholerae viral satellite maximizes its spread and inhibits phage by remodeling hijacked phage coat proteins into small capsids

    Caroline M Boyd, Sundharraman Subramanian ... Kimberley D Seed
    A phage parasite encodes an external scaffolding protein to pirate and rearrange phage-encoded coat proteins to more efficiently transfer the phage parasite genome to new hosts and limit phage production.
    1. Structural Biology and Molecular Biophysics

    Conformational heterogeneity of the BTK PHTH domain drives multiple regulatory states

    David Yin-wei Lin, Lauren E Kueffer ... Amy H Andreotti
    Multiple dynamic protein interactions converge to regulate the catalytic activity of the B cell kinase, BTK.
    1. Structural Biology and Molecular Biophysics

    Structural and mechanistic insights into ribosomal ITS2 RNA processing by nuclease-kinase machinery

    Jiyun Chen, Hong Chen ... Liang Liu
    The structures of full-length Las1-Grc3 complexes provide crucial insights into the activation mechanism of HEPN nuclease and the pathway of pre-rRNA processing in ribosome biosynthesis.
    1. Structural Biology and Molecular Biophysics

    How accurately can one predict drug binding modes using AlphaFold models?

    Masha Karelina, Joseph J Noh, Ron O Dror
    AlphaFold 2 models capture binding pocket structures accurately but fare poorly when used to predict ligand-binding poses.
    1. Microbiology and Infectious Disease
    2. Structural Biology and Molecular Biophysics

    Emerging variants of SARS-CoV-2 NSP10 highlight strong functional conservation of its binding to two non-structural proteins, NSP14 and NSP16

    Huan Wang, Syed RA Rizvi ... Shozeb Haider
    Structure and simulations reveal SARS-CoV-2 NSP10 is more resistant to genetic variations than other SARS-CoV-2 NSPs and that the presence of mutations conserves structural and dynamic changes in NSP10.