Browse our latest Structural Biology and Molecular Biophysics articles

Structural studies reveal the mechanism by which the mRNA nuclear export machinery engages with nascent transcripts through interaction with the cap binding complex.

Complementing experimental data from EPR spectroscopy with computational modeling techniques provides access to protein structural dynamics and enables the characterization of rare protein conformations.

Deep mutational scanning reveals interactions in the MET kinase domain that are critical for regulation and cancer-related signaling.

The phenotype of mutant potassium channels described here allows the mechanistic dissection of the complex process of potassium channel gating in the pathology-relevant KCNH family.

Using a combination of all-atom molecular simulation and continuum membrane mechanics, M2 channels from influenza are shown to be stabilized in negative Gaussian curvature regions, such as the neck of budding viral particles, only in C2-symmetric conformations.

AlphaFold2's inability to generate non-native conformations for docking is addressed by AI-molecular dynamics method AlphaFold2-RAVE, which produces Boltzmann-ranked conformations, enabling the retrospective discovery of type II kinase inhibitors.

The new insights into the activation mechanism of Parkin E3 ligase could be useful for designing small-molecule activators against Parkinson’s disease.

Electron crystallography and molecular dynamics simulations show that a cholesterol sandwiched in between two neighboring aquaporin-0 tetramers stabilizes the association between the tetramers and thus promotes array formation.

Identifying, indexing, and annotating molecular dynamics simulations open data is essential to ensure their proper reuse.

The amyloid polymorph selection that occurs during α-synuclein aggregation is dictated by environmental conditions, in particular pH, with the largest variety of structures being observed near neutral pH.