Results 71 to 80 of about 18,737 (212)
Angewandte Chemie International Edition, EarlyView.Used in search of novel allosteric sites in the serine/threonine kinase p38α, NMR spectroscopy reveals a dynamic coupling between the catalytic and lipid pockets. The findings uncover a motional interdependence that links distant regions of the enzyme, highlighting the lipid pocket as a promising site for allosteric intervention.
Sara Medina Gómez +4 more
wiley +1 more source
Discovery of a First‐in‐Class Covalent Allosteric SHP1 Inhibitor with Immunotherapeutic Activity
Angewandte Chemie, Volume 138, Issue 7, 9 February 2026.A covalent allosteric inhibitor M029 was discovered for SHP1, a novel target for immunotherapy. M029 binds to a cryptic Cys remote from the active site, exhibits robust target engagement, and blocks tumor progression by stimulating antitumor immune response.
Zihan Qu +16 more
wiley +2 more sources
Small Molecule Targeting of Protein–Protein Interactions through Allosteric Modulation of Dynamics
Molecules, 2015 The protein–protein interaction (PPI) target class is particularly challenging, but offers potential for “first in class” therapies. Most known PPI small molecules are orthosteric inhibitors but many PPI sites may be fundamentally intractable to this ...
Benjamin P. Cossins +1 more
doaj +1 more source
Communications Biology, 2023 Molecular dynamics simulations and functional assays of the transmembrane domain of the sweet taste receptor subunit, TAS1R3 reveal mechanisms on the allostery of sweet receptor activation or inactivation and pH-dependent sensitivity to saccharin.
Keisuke Sanematsu +10 more
doaj +1 more source
, 2014 Integrin-mediated cell adhesion is important for development, immune responses, hemostasis and wound healing. Integrins also function as signal transducing receptors that can control intracellular pathways that regulate cell survival, proliferation, and ...
Ginsberg, Mark H
core +1 more source
A personal 360° view of applications of ‘biomimetic’ molecular recognition
Journal of Chemical Technology &Biotechnology, EarlyView.Abstract Molecular recognition between biological molecules has formed the basis for innumerable applications in biotechnology for the last seven decades or so. Techniques such as affinity chromatography, solid‐phase and aqueous two‐phase extraction, affinity precipitation, biomimetic catalytic systems, biosensors and molecular imprinting all exploit ...
Christopher R Lowe
wiley +1 more source
eLife, 2023 Allosteric modulation of G protein-coupled receptors (GPCRs) is a major paradigm in drug discovery. Despite decades of research, a molecular-level understanding of the general principles that govern the myriad pharmacological effects exerted by GPCR ...
Ziva Vuckovic +23 more
doaj +1 more source
Solvated dissipative electro-elastic network model of hydrated proteins
, 2012 Elastic netwok models coarse grain proteins into a network of residue beads connected by springs. We add dissipative dynamics to this mechanical system by applying overdamped Langevin equations of motion to normal-mode vibrations of the network.
Daniel R. Martin +6 more
core +1 more source
Mass Spectrometry Structural Proteomics Enabled by Limited Proteolysis and Cross‐Linking
Mass Spectrometry Reviews, EarlyView.ABSTRACT The exploration of protein structure and function stands at the forefront of life science and represents an ever‐expanding focus in the development of proteomics. As mass spectrometry (MS) offers readout of protein conformational changes at both the protein and peptide levels, MS‐based structural proteomics is making significant strides in the
Haiyan Lu +4 more
wiley +1 more source
Hydrogen bonds and asymmetrical heat diffusion in a-Helices. A Computational Analysis
, 2015 In this work, we report the heat rectifying capability of a-helices. Using molecular dynamics simulations we show an increased thermal diffusivity in the C-Terminal to N-Terminal direction of propagation.
Gutierrez, Gonzalo +1 more
core +2 more sources