Supplementary data: MD, SPR and fluorimetric data of Isoform-specific conformational dynamics in Proteasome Activator 28kDa define alternative allosteric regulation of the human 20S proteasome

This repository contains the data supporting the study on how the isoform-specific conformational dynamics of the proteasome activator PA28 (αβ and γ isoforms) modulate the allosteric regulation of the human 20S proteasome (h20S). The dataset includes: (i) the all-atom molecular dynamics (MD) simulations of unbound hPA28αβ and hPA28γ and of the hPA28αβ–h20S and hPA28γ–h20S complexes, comprising input files, topologies, starting coordinates and trajectories for each independent replica, together with the scripts used for the analyses; (ii) the raw surface plasmon resonance (SPR) sensorgrams of the interaction of h20S with hPA28αβ and hPA28γ, recorded at 37 °C on a BioNavis SPR Navi 210A instrument at all the concentrations tested, including the reference-channel signals and the exported data used for kinetic fitting; and (iii) the raw data of the fluorimetric assays of h20S peptidase activity in the presence of hPA28αβ and hPA28γ.