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    1. Structural Biology and Molecular Biophysics

    Sequence co-evolution gives 3D contacts and structures of protein complexes

    Thomas A Hopf, Charlotta P I Schärfe ... Debora S Marks
    Interactions in protein complexes can be predicted from evolutionary information from genomic sequences.
    1. Computational and Systems Biology
    2. Structural Biology and Molecular Biophysics

    Deep learning-driven insights into super protein complexes for outer membrane protein biogenesis in bacteria

    Mu Gao, Davi Nakajima An, Jeffrey Skolnick
    An example of a deep learning-based strategy to discover novel protein-protein interactions and predict their complex structures at high accuracy.
    1. Structural Biology and Molecular Biophysics

    Structural basis for the phase separation of the chromosome passenger complex

    Nikaela W Bryan, Aamir Ali ... Ben E Black
    The utilization of hydrogen/deuterium exchange mass spectrometry reveals dynamic insights and interactions driving liquid-liquid demixing of the chromosome passenger complex.
    1. Computational and Systems Biology
    2. Structural Biology and Molecular Biophysics

    Computational design of thermostabilizing point mutations for G protein-coupled receptors

    Petr Popov, Yao Peng ... Vsevolod Katritch
    A comprehensive approach to prediction of stabilizing mutations in G-protein coupled receptors yields high hit rate and crystal structures of 5HT2C in both active and inactive states.
    1. Developmental Biology
    2. Structural Biology and Molecular Biophysics

    Deep learning insights into the architecture of the mammalian egg-sperm fusion synapse

    Arne Elofsson, Ling Han ... Luca Jovine
    AlphaFold-Multimer was used to investigate extracellular protein interactions involved in mammalian egg-sperm recognition, suggesting a putative pentameric complex that includes TMEM81, a sperm protein not previously involved in gamete recognition.
    1. Genetics and Genomics

    Accurate predictions of SARS-CoV-2 infectivity from comprehensive analysis

    Jongkeun Park, WonJong Choi ... Dongwan Hong
    Big data analysis, protein structure prediction, and artificial intelligence are integrated to predict novel and highly transmissible SARS-CoV-2 variants.
    1. Microbiology and Infectious Disease

    Staphylococcus aureus FtsZ and PBP4 bind to the conformationally dynamic N-terminal domain of GpsB

    Michael D Sacco, Lauren R Hammond ... Yu Chen
    The N-terminal domain of Staphylococcus aureus GpsB, a scaffolding protein, forms an atypical asymmetric dimer and binds to the C-termini of FtsZ and PBP4, influencing the localization and regulation of both the Z-ring and cell wall synthesis.
    1. Structural Biology and Molecular Biophysics

    PPI-hotspotID for detecting protein–protein interaction hot spots from the free protein structure

    Yao Chi Chen, Karen Sargsyan ... Carmay Lim
    PPI-hotspotID, trained using an automated machine-learning framework, AutoGluon, on the largest PPI-hot spot dataset to date, detects hot spots beyond protein–protein interfaces, uncovering druggable interactions to aid design of PPI-modulating therapeutics.
    1. Cell Biology
    2. Structural Biology and Molecular Biophysics

    Structural analysis of the dynamic ribosome-translocon complex

    Aaron JO Lewis, Frank Zhong ... Ramanujan S Hegde
    A combination of cryo-electron microscopy, structure prediction, and evolutionary analyses reveal several functional states of the dynamic protein translocation machinery at the mammalian endoplasmic reticulum.
    1. Microbiology and Infectious Disease
    2. Structural Biology and Molecular Biophysics

    Structural basis of malodour precursor transport in the human axilla

    Gurdeep S Minhas, Daniel Bawdon ... Simon Newstead
    Discovery of the structural basis for recognition and uptake of a human precursor for body odour production reveals an important role for bacterial peptide transport and novel routes to prevent its production in humans.