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Showing 1–6 of 6 results
Advanced filters: Author: Alexander Jussupow Clear advanced filters

  • Hsp90 is a molecular chaperone important for protein homeostasis. Here, the authors show that the conformational transitions during the Hsp90 ATPase cycle are conserved from yeast to humans, but a few mutations alter cycle timing and dynamics.

    • Stefan Riedl
    • Ecenaz Bilgen
    • Johannes Buchner
    ResearchOpen Access
    Nature Communications
    Volume: 15, P: 1-16

  • Deep learning has advanced protein structure prediction, yet capturing conformational ensembles remains challenging. Here, the authors introduce aSAM, a latent diffusion model trained on molecular dynamics simulations, to generate temperature-conditioned protein ensembles, enhancing exploration of energy landscapes and capturing experimentally observed thermal behaviors.

    • Giacomo Janson
    • Alexander Jussupow
    • Michael Feig
    ResearchOpen Access
    Communications Chemistry
    Volume: 8, P: 1-15

  • A method combining genetic-code expansion, bioorthogonal Staudinger reduction and sortase-mediated transpeptidation enables site-specific and orthogonal modification of proteins with ubiquitin and SUMO in vitro and in living cells.

    • Maximilian Fottner
    • Andreas-David Brunner
    • Kathrin Lang
    Research
    Nature Chemical Biology
    Volume: 15, P: 276-284

  • The respiratory complex I (NADH:ubiquinone oxidoreductase) is a large redox-driven proton pump that initiates respiration in mitochondria. Here, the authors present the 3.0 Å cryo-EM structure of complex I from mouse heart mitochondria with the ubiquinone-analogue inhibitor piericidin A bound in the active site and with kinetic measurements and MD simulations they further show that this inhibitor acts competitively against the native ubiquinone-10 substrate.

    • Hannah R. Bridges
    • Justin G. Fedor
    • Judy Hirst
    ResearchOpen Access
    Nature Communications
    Volume: 11, P: 1-11

  • hnRNP A1 is an auxiliary factor that promotes the Microprocessor-mediated processing of pri-mir-18a, of the oncomiR-1 cluster. Here the authors employ an integrative structural biology approach and provide insights into the molecular mechanism of how hnRNP A1 facilitates pri-mir-18a biogenesis.

    • Hamed Kooshapur
    • Nila Roy Choudhury
    • Michael Sattler
    ResearchOpen Access
    Nature Communications
    Volume: 9, P: 1-17

  • The PLUMED consortium unifies developers and contributors to PLUMED, an open-source library for enhanced-sampling, free-energy calculations and the analysis of molecular dynamics simulations. Here, we outline our efforts to promote transparency and reproducibility by disseminating protocols for enhanced-sampling molecular simulations.

    • Massimiliano Bonomi
    • Giovanni Bussi
    • Andrew White
    Comments & Opinion
    Nature Methods
    Volume: 16, P: 670-673