AlphaFold2 versus experimental structures: evaluation on G protein-coupled receptors
As important drug targets, G protein-coupled receptors (GPCRs) play pivotal roles in a wide
range of physiological processes. Extensive efforts of structural biology have been made on …
range of physiological processes. Extensive efforts of structural biology have been made on …
New Insights into the Cooperativity and Dynamics of Dimeric Enzymes
KW Chen, TY Sun, YD Wu - Chemical Reviews, 2023 - ACS Publications
A survey of protein databases indicates that the majority of enzymes exist in oligomeric
forms, with about half of those found in the UniProt database being homodimeric …
forms, with about half of those found in the UniProt database being homodimeric …
Multi‐state modeling of G‐protein coupled receptors at experimental accuracy
The family of G‐protein coupled receptors (GPCRs) is one of the largest protein families in
the human genome. GPCRs transduct chemical signals from extracellular to intracellular …
the human genome. GPCRs transduct chemical signals from extracellular to intracellular …
Molecular mechanism of allosteric modulation for the cannabinoid receptor CB1
X Yang, X Wang, Z Xu, C Wu, Y Zhou, Y Wang… - Nature Chemical …, 2022 - nature.com
Given the promising clinical value of allosteric modulators of G protein-coupled-receptors
(GPCRs), mechanistic understanding of how these modulators alter GPCR function is of …
(GPCRs), mechanistic understanding of how these modulators alter GPCR function is of …
The pocketome of G-protein-coupled receptors reveals previously untargeted allosteric sites
JB Hedderich, M Persechino, K Becker… - Nature …, 2022 - nature.com
G-protein-coupled receptors do not only feature the orthosteric pockets, where most
endogenous agonists bind, but also a multitude of other allosteric pockets that have come …
endogenous agonists bind, but also a multitude of other allosteric pockets that have come …
Time-resolved cryo-EM using a combination of droplet microfluidics with on-demand jetting
S Torino, M Dhurandhar, A Stroobants, R Claessens… - Nature …, 2023 - nature.com
Single-particle cryogenic electron microscopy (cryo-EM) allows reconstruction of high-
resolution structures of proteins in different conformations. Protein function often involves …
resolution structures of proteins in different conformations. Protein function often involves …
Enhancing geometric representations for molecules with equivariant vector-scalar interactive message passing
Geometric deep learning has been revolutionizing the molecular modeling field. Despite the
state-of-the-art neural network models are approaching ab initio accuracy for molecular …
state-of-the-art neural network models are approaching ab initio accuracy for molecular …
Unraveling allostery within the angiotensin II type 1 receptor for Gαq and β-arrestin coupling
Y Cao, WJC van der Velden, Y Namkung… - Science …, 2023 - science.org
G protein–coupled receptors engage both G proteins and β-arrestins, and their coupling can
be biased by ligands and mutations. Here, to resolve structural elements and mechanisms …
be biased by ligands and mutations. Here, to resolve structural elements and mechanisms …
Structural insights into ligand recognition and activation of the medium-chain fatty acid-sensing receptor GPR84
GPR84 is an orphan class AG protein-coupled receptor (GPCR) that is predominantly
expressed in immune cells and plays important roles in inflammation, fibrosis, and …
expressed in immune cells and plays important roles in inflammation, fibrosis, and …
The inherent flexibility of receptor binding domains in SARS-CoV-2 spike protein
Spike (S) protein is the primary antigenic target for neutralization and vaccine development
for the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). It decorates the …
for the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). It decorates the …