Topic 163

domain biophysics domains binding synaptotagmin membrane c2b transmembrane bind coupling ca2 simulations allosteric ligand c2a c2 lipid mechanism lipids bound release sensor gating pore interactions protein helix channel neurotransmitter proteins opening ligands channels conformational syt1 via molecular dynamics membranes sensing receptors interacts curved coupled central interaction glun1 glun2a open md loops sites roles affinity direct curvature interface cellular experiments hydrophobic family molecule charge vesicle conserved native vesicles structure biochemistry ion loop fusion gated pip2 activation syt large force complex nmda state signaling bilayer how m3 gpcrs conformation plays linker oligomers released tandem structural gpcr snares pm homology snare process its

35 items. Top items listed below.

State-dependent protein-lipid interactions of a pentameric ligand-gated ion channel in a neuronal membrane 163 91 82 8 3

Coupling of conformational switches in calcium sensor unraveled with local Markov models and transfer entropy 163 91 8

SNARE Complex Alters the Interactions of the Ca2+ sensor Synaptotagmin 1 with Lipid Bilayers 163 78 8

Conserved Arginine Residues in Synaptotagmin 1 Regulate Fusion Pore Expansion Through Membrane Contact 163 8 3

The Glycosphingolipid GM3 Modulates Conformational Dynamics of the Glucagon Receptor 163 91 78 63 8 3

Multivalent lipid targeting by the calcium-independent C2A domain of Slp-4/granuphilin 163 8 3

Membrane Association and Functional Mechanism of Synaptotagmin-1 in Triggering Vesicle Fusion 163 8 3

State-dependent mapping of GlyR-cholesterol interactions by coupling crosslinking with mass spectrometry 163 91 7

Nonspecific membrane interactions can modulate BK channel activation 163 82 8 3

The neuronal calcium sensor Synaptotagmin-1 and SNARE proteins cooperate to dilate fusion pores 163 8 3

Coupling of Ca2+ and voltage activation in BK channels through the αB helix/voltage sensor interface 163 82 63 8 3

Endophilin Recruitment via GPCR Interactions Enables Membrane Curvature Generation in the Absence of Anionic Lipids 163 78 8 3

Multiple binding sites for resin-acid derivatives on the voltage-sensor domain of the Shaker potassium channel 163 82 8 3

A second PI(4,5)P2 binding site determines PI(4,5)P2 sensitivity of the tubby domain 163 8 3

NMDA receptors require multiple pre-opening gating steps for efficient synaptic activity 163 82 8

Interference of pH buffer with Pb2+-peripheral domain interactions: obstacle or opportunity? 163 8

Membrane-mediated Forces Can Stabilize Tubular Assemblies of I-BAR Proteins 163 78 8

Cross-subunit Interactions that Stabilize Open States Mediate Gating in NMDA Receptors 163 8

Mycobacterium tuberculosis FasR senses long fatty acyl-CoA through a tunnel, inducing DNA-dissociation via a transmission spine 163 63 8 3

Molecular principles of Piezo1 activation by increased membrane tension 163 55 8 3

Contributions by N-terminal Domains to NMDA Receptor Currents 163 8 3

Allosteric inhibition of adenylyl cyclase type 5 by G-protein: a molecular dynamics study 163 63 8 3

The electrostatic allostery could be the trigger for the changes in dynamics for the PDZ domain of PICK1 63 8 3

GHB confers neuroprotection by stabilizing the CaMKIIα hub domain 163 63 8 3

Dynamics of the N-terminal domain of SARS-CoV-2 nucleocapsid protein drives dsRNA melting in a counterintuitive tweezer-like mechanism 163 8

Biased agonists of the chemokine receptor CXCR3 differentially drive formation of Gαi:β-arrestin complexes 163 8 3

Breakage of the Oligomeric CaMKII Hub by the Regulatory Segment of the Kinase 163 102 8 3

Network analysis reveals how lipids and other cofactors influence membrane protein allostery 82 8

Expression and distribution of synaptotagmin isoforms in the zebrafish retina 163

Long-range coupled motions underlie ligand recognition by a chemokine receptor 91 63 8

GTP-dependent formation of straight oligomers leads to nucleation of microtubules 163 78 8 3

A disordered encounter complex is central to the yeast Abp1p SH3 domain binding pathway 149 91 78 8

Cholesterol sensing by CD81 is important for hepatitis C virus entry 91 63 8 3

Proteins and Ions Compete for Membrane Interaction: the case of Lactadherin 78 8 3

Synthesis runs counter to directional folding of a nascent protein domain 163 8 3

Single-molecule measurements reveal that PARP1 condenses DNA by loop formation 163 8 3

The role of the C2A domain of synaptotagmin 1 in asynchronous neurotransmitter release 77 11 3

GPCR Oligomerisation Modulation by Conformational State and Lipid Interactions Revealed by MD Simulations and Markov Models 91 78 8 3

A sodium-dependent communication pathway across class A G-protein coupled receptors 91 63 8 3

Structure of the ancestral TRPY1 channel from Saccharomyces cerevisiae reveals mechanisms of modulation by lipids and calcium 51 8 3

Cryo-EM structure of an activated GPCR-G protein complex in lipid nanodiscs 51 8 3

A phylogenetic analysis of MCTP proteins: from amino acid sequence to function 121 40 8

The SARS-CoV-2 Spike harbours a lipid binding pocket which modulates stability of the prefusion trimer 163 24 8 1

High-affinity agonist binding to C5aR results from a cooperative two-site binding mechanism 63 8

XMAP215 and γ-tubulin additively promote microtubule nucleation in purified solutions 171 163 68 34 8 3

The flexibility of ACE2 in the context of SARS-CoV-2 infection 36 1

Allosteric communications between domains modulate activity of matrix metalloprotease-1 91 63 8

Human Ribosomal G-Quadruplexes Regulate Heme Bioavailability 163 8 3

Double-transmembrane domain reduces fusion rate by increasing lipid-protein mismatch 78 8 3

Evidence that ion conduction in 5-HT3A receptors proceeds through lateral portals in the cytosol 51 8

A Molecular View of Lipid-mediated Activation Process of Apolipoprotein E 91 8

Dynamics of chromosomal target search by a membrane-integrated one-component receptor 127 8 3

PIP2 promotes conformation-specific dimerization of the EphA2 membrane region 78 8 3

Heterogeneity in human hippocampal CaMKII transcripts reveals allosteric hub-dependent regulation 51 8 3

Global alignment and assessment of TRP channel transmembrane domain structures to explore functional mechanisms 51 8

Cooperativity of membrane-protein and protein-protein interactions control membrane remodeling by epsin 1 and regulate clathrin-mediated endocytosis 78 34 8 3

Annexin A4 trimers are recruited by high membrane curvatures in Giant Plasma Membrane Vesicles 78 8

Antidepressants bind to cholesterol-interaction motif of TRKB neurotrophin receptor 63 11 8 3

Structural and dynamic characterization of the C-terminal tail of ErbB2: disordered but not random 149 63 8 3

Membrane Interactions of α-Synuclein Revealed by Multiscale Molecular Dynamics Simulations, Markov State Models, and NMR 78 8

Cryo-EM structure of the MgtE Mg2+ channel pore domain in Mg2+-free conditions reveals cytoplasmic pore opening 51 8 3

The relation between intrinsic protein conformational changes and ligand binding 91 8

A conformational switch driven by phosphorylation regulates Ykt6 activity in macroautophagy 34 8 3

Dynamics-driven allostery underlies pre-activation of the regulatory Ca2+-ATPase/phospholamban complex 91 8 3

Finding Pathogenic nsSNP's and their structural effect on COPS2 using Molecular Dynamic Approach 163 8

TRPV2 interaction with small molecules and lipids revealed by cryo-EM 51 8

A Piezo1 open state reveals a multi-fenestrated ion permeation pathway 82 78 8

Physical Interactions Driving the Activation/Inhibition of Calcium/Calmodulin Dependent Protein Kinase II 91 8 3

Clathrin senses membrane curvature 151 34 8

N-terminus of the third PDZ Domain of PSD-95 Orchestrates Allosteric Communication for Selective Ligand Binding 91 63 8

Structures of metabotropic GABAB receptor 63 8 3

Protein dynamics enables phosphorylation of buried residues in Cdk2/Cyclin A-bound p27 149 91 8

Inhibition of Corona virus spike protein binding to ACE2 36 1

Structural Mechanism Underlying Ligand Binding and Activation of PPARγ 91 63 8 3

Single-molecule spectroscopy reveals dynamic allostery mediated by the substrate-binding domain of a AAA+ machine 91 8 3

Raf promotes dimerization of the Ras G-domain with increased allosteric connections 91 8 3

The mechanism of coupled folding-upon-binding of an intrinsically disordered protein 149 91 78 8

Drosophila Synaptotagmin 7 negatively regulates synaptic vesicle fusion and replenishment in a dosage-dependent manner 77 11 3

Mechanism of hERG inhibition by gating-modifier toxin, APETx1, deduced by functional characterization 82 63 8 3

Cotranslational Folding Stimulates Programmed Ribosomal Frameshifting in the Alphavirus Structural Polyprotein 8 3

Exploring the Sequence Fitness Landscape of a Bridge Between Protein Folds 149 91 38 8 4

COX-1 - lipid interactions: arachidonic acid, cholesterol, and phospholipid binding to the membrane binding domain of COX-1 63 8 3

Mutational analysis to explore long-range allosteric coupling and decoupling in a pentameric channel receptor 170 7

Biased localization of actin binding proteins by actin filament conformation 55 8 3

Towards the molecular architecture of the peroxisomal receptor docking complex 8 3

Conformational states of the cytoprotective protein Bcl-xL 91 78 63 8 3

Identifying Sequence Perturbations to an Intrinsically Disordered Protein that Determine Its Phase Separation Behavior 78 8

An allosteric interaction controls the activation mechanism of SHP2 tyrosine phosphatase 91 63 8 3

Functional and structural characterization of allosteric activation of Phospholipase Cϵ by Rap1A 63 8 3

Large domain movements through lipid bilayer mediate substrate release and inhibition of glutamate transporters 51 8 3

The Distal Polybasic Cleavage Sites of SARS-CoV-2 Spike Protein Enhance Spike Protein-ACE2 Binding 36 1

Nα-acetylation of EsxA is required for mycobacterial cytosolic translocation and virulence 163 8

Insights into actin polymerization and nucleation using a coarse grained model 111 51 8

Computational simulations reveal the binding dynamics between human ACE2 and the receptor binding domain of SARS-CoV-2 spike protein 36 1

Dispatched conformational dynamics couples transmembrane Na+ flux to release of lipid-modified Hedgehog signal 51 8 3

Ligand Modulation of the Conformational Dynamics of the A2A Adenosine Receptor Revealed by Single-Molecule Fluorescence 91 8

Mechanosensitive calcium signaling in filopodia 55 3

Transmission of allosteric response within the homotrimer of SARS-CoV-2 spike upon recognition of ACE2 receptor by the receptor-binding domain 36 1

SurA is a "Groove-y" Chaperone That Expands Unfolded Outer Membrane Proteins 8

Functional and structural characterization of interactions between opposite subunits in HCN pacemaker channels 82 51 8