PLoS Computational Biology, 2019 The fungal circadian clock photoreceptor Vivid (VVD) contains a photosensitive allosteric light, oxygen, voltage (LOV) domain that undergoes a large N-terminal conformational change.
Hongyu Zhou +4 more
doaj +1 more source
Structural Changes in the Cap of Rv0183/mtbMGL Modulate the Shape of the Binding Pocket
Biomolecules, 2021 Tuberculosis continues to be a major threat to the human population. Global efforts to eradicate the disease are ongoing but are hampered by the increasing occurrence of multidrug-resistant strains of Mycobacterium tuberculosis.
Christoph Grininger +6 more
doaj +1 more source
MD Simulations Revealing Special Activation Mechanism of Cannabinoid Receptor 1
Frontiers in Molecular Biosciences, 2022 Cannabinoid receptor 1 (CB1) is a G protein-coupled receptor (GPCR) that is gaining much interest for its regulating role in the central nervous system and its value as a drug target.
Yiran Wu +8 more
doaj +1 more source
Structure of protease-cleaved escherichia coliα-2-macroglobulin reveals a putative mechanism of conformational activation for protease entrapment [PDF]
, 2015 Bacterial -2-macroglobulins have been suggested to function in defence as broad-spectrum inhibitors of host proteases that breach the outer membrane.
Burchmore, R.J.S. +9 more
core +2 more sources
Investigation of Structural Dynamics of Enzymes and Protonation States of Substrates Using Computational Tools. [PDF]
, 2016 This review discusses the use of molecular modeling tools, together with existing experimental findings, to provide a complete atomic-level description of enzyme dynamics and function.
Chang, Chia-En A +3 more
core +2 more sources
A conformational RNA zipper promotes intron ejection during non-conventional XBP1 mRNA splicing. [PDF]
, 2015 The kinase/endonuclease IRE1 is the most conserved signal transducer of the unfolded protein response (UPR), an intracellular signaling network that monitors and regulates the protein folding capacity of the endoplasmic reticulum (ER).
Acosta-Alvear, Diego +3 more
core +1 more source
Subtle pH differences trigger single residue motions for moderating conformations of calmodulin [PDF]
, 2011 This study reveals the essence of ligand recognition mechanisms by which calmodulin (CaM) controls a variety of Ca2+ signaling processes. We study eight forms of calcium-loaded CaM each with distinct conformational states.
Ali Rana Atilgan +8 more
core +1 more source
Influence of pH on mechanical relaxations in high solids lm-pectin preparations [PDF]
, 2015 The influence of pH on the mechanical relaxation of LM-pectin in the presence of co-solute has been investigated by means of differential scanning calorimetry, ζ-potential measurements and small deformation dynamic oscillation in shear.
Al-Ruqaie +42 more
core +1 more source
Biophysics and Physicobiology, 2019 Structural changes of proteins are closely related with their molecular function. We previously developed a computational tool, Motion Tree (MT), to compare protein structures and describe structural changes using solely the Cα atoms.
Ryotaro Koike, Motonori Ota
doaj +1 more source
Conformational photoswitching of a synthetic peptide foldamer bound within a phospholipid bilayer [PDF]
, 2016 The dynamic properties of foldamers, synthetic molecules that mimic folded biomolecules, have mainly been explored in free solution.We report on the design, synthesis, and conformational behavior of photoresponsive foldamers bound in a phospholipid ...
Clayden, Jonathan +5 more
core +4 more sources