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    1. Structural Biology and Molecular Biophysics

    A parameterized two-domain thermodynamic model explains diverse mutational effects on protein allostery

    Zhuang Liu, Thomas G Gillis ... Qiang Cui
    A combined theoretical and experimental study revealed the mechanistic and structural basis of mutational effects on allostery and provided insights into the intrinsic connection of intra- and inter-domain properties.
    1. Biochemistry and Chemical Biology
    2. Structural Biology and Molecular Biophysics

    Tuning site-specific dynamics to drive allosteric activation in a pneumococcal zinc uptake regulator

    Daiana A Capdevila, Fidel Huerta ... David P Giedroc
    Internal dynamics play a crucial functional role in MarR (multiple antibiotic resistance repressor) proteins and their role reconciles the distinct allosteric mechanisms proposed previously.
    1. Biochemistry and Chemical Biology
    2. Structural Biology and Molecular Biophysics

    A point mutation in the nucleotide exchange factor eIF2B constitutively activates the integrated stress response by allosteric modulation

    Morgane Boone, Lan Wang ... Michael Schoof
    Genetically induced conformational modulation of eIF2B activates the Integrated Stress Response by impairing nucleotide exchange.
    1. Biochemistry and Chemical Biology

    Identification of an allosteric binding site on the human glycine transporter, GlyT2, for bioactive lipid analgesics

    Shannon N Mostyn, Katie A Wilson ... Robert J Vandenberg
    Identification of how bioactive lipids bind and inhibit glycine transporters has the potential to be exploited in the development of a new class of analgesics for chronic pain.
    1. Biochemistry and Chemical Biology
    2. Computational and Systems Biology

    Coevolution-based prediction of key allosteric residues for protein function regulation

    Juan Xie, Weilin Zhang ... Luhua Lai
    Key allosteric residues are predicted based on sequence coevolution analysis, which serves as guidelines for allosteric drug design and optimization.
    1. Biochemistry and Chemical Biology
    2. Plant Biology

    Allosteric activation of the co-receptor BAK1 by the EFR receptor kinase initiates immune signaling

    Henning Mühlenbeck, Yuko Tsutsui ... Cyril Zipfel
    Structure-function analysis reveals an allosteric mechanism activating a plant immune receptor kinase complex.
    1. Structural Biology and Molecular Biophysics

    Computational analysis of long-range allosteric communications in CFTR

    Ayca Ersoy, Bengi Altintel ... Oded Lewinson
    A combination of computational approaches identifies a novel allosteric hotspot in cystic fibrosis transmembrane conductance regulator.
    1. Biochemistry and Chemical Biology

    Allosteric mechanism of signal transduction in the two-component system histidine kinase PhoQ

    Bruk Mensa, Nicholas F Polizzi ... William F DeGrado
    Mutations along the signaling pathway of the E. coli sensor histidine kinase PhoQ alter signal gain and ligand-sensitivity by altering thermodynamic allosteric coupling between domains.
    1. Medicine
    2. Structural Biology and Molecular Biophysics

    Allosteric communication in class A β-lactamases occurs via cooperative coupling of loop dynamics

    Ioannis Galdadas, Shen Qu ... Shozeb Haider
    A combination of equilibrium and nonequilibrium molecular dynamics simulations is an effective tool to study allosteric communications in ultrafast enzymes that show little or no conformational changes.
    1. Biochemistry and Chemical Biology
    2. Structural Biology and Molecular Biophysics

    Allosteric cooperation in β-lactam binding to a non-classical transpeptidase

    Nazia Ahmad, Sanmati Dugad ... Pankaj Kumar
    Allosteric mechanism of dual β-lactam binding in L,D-transpeptidase from Mycobacterium tuberculosis.