Publications related to Conformational change

Protein target highlights in CASP15: Analysis of models by structure providers

Bruno Lemaitre, Luciano Andres Abriata, Samuel Rommelaere, Kuan-Lin Wu, Han Xiao

We present an in-depth analysis of selected CASP15 targets, focusing on their biological and functional significance. The authors of the structures identify and discuss key protein features and evaluate how effectively these aspects were captured in the su ...

WILEY2023

Aptamer Conformational Dynamics Modulate Neurotransmitter Sensing in Nanopores

Nako Nakatsuka, Dmitry Momotenko, Annina Stuber

Aptamers that undergo conformational changes upon small-molecule recognition have been shown to gate the ionic flux through nanopores by rearranging the charge density within the aptamer-occluded orifice. However, mechanistic insight into such systems wher ...

2023

Computational design of dynamic receptor—peptide signaling complexes applied to chemotaxis

Patrick Daniel Barth, Aurélien Laurent Jean-Charles Oggier, Ana Paola Rico Villarreal, Mahdi Hijazi, Robert Everett Jefferson, Andreas Füglistaler

Engineering protein biosensors that sensitively respond to specific biomolecules by triggering precise cellular responses is a major goal of diagnostics and synthetic cell biology. Previous biosensor designs have largely relied on binding structurally well ...

2023

Theoretical analysis of divalent cation effects on aptamer recognition of neurotransmitter targets

Nako Nakatsuka, Dmitry Momotenko, Annina Stuber

Aptamer-based sensing of small molecules such as dopamine and serotonin in the brain, requires characterization of the specific aptamer sequences in solutions mimicking the in vivo environment with physiological ionic concentrations. In particular, divalen ...

2023

Structural Basis of the Allosteric Inhibition of Human ABCG2 by Nanobodies

Henning Paul-Julius Stahlberg, Dongchun Ni

ABCG2 is an ATP-binding cassette transporter that exports a wide range of xenobiotic compounds and has been recognized as a contributing factor for multidrug resistance in cancer cells. Substrate and inhibitor interactions with ABCG2 have been extensively ...

ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD2023

Microsecond melting and revitrification of cryo samples: protein structure and beam-induced motion

Marcel Drabbels, Ulrich Lorenz, Pavel Olshin, Jonathan Mark Voss, Oliver Florian Harder

A novel approach to time-resolved cryo-electron microscopy (cryo-EM) has recently been introduced that involves melting a cryo sample with a laser beam to allow protein dynamics to briefly occur in the liquid, before trapping the particles in their transie ...

2022

Visualization, Interactive Handling and Simulation of Molecules in Commodity Augmented Reality in Web Browsers Using moleculARweb's Virtual Modeling Kits

Matteo Dal Peraro, Luciano Andres Abriata, Lucien Fabrice Krapp, Fabio Jose Cortes Rodriguez

moleculARweb (https://molecularweb.epfl.ch) began as a website for education and outreach in chemistry and structural biology through augmented reality (AR) content that runs in the web browsers of regular devices like smartphones, tablets, and computers. ...

SWISS CHEMICAL SOC2022

Mechanism ofcyclic beta-glucan export by ABC transporter Cgt of Brucella

Henning Paul-Julius Stahlberg, Dongchun Ni, Na Wu

Polysaccharides play critical roles in bacteria, including the formation of protective capsules and biofilms and establishing specific host cell interactions. Their transport across membranes is often mediated by ATP-binding cassette (ABC) transporters, wh ...

NATURE PORTFOLIO2022

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Conformational change

From Sequence to Dynamics to Function: Computational Design of Allostery and Ligand Selectivity in G-Protein Coupled Receptors

Protein target highlights in CASP15: Analysis of models by structure providers

Aptamer Conformational Dynamics Modulate Neurotransmitter Sensing in Nanopores

Computational design of dynamic receptor—peptide signaling complexes applied to chemotaxis

Theoretical analysis of divalent cation effects on aptamer recognition of neurotransmitter targets

Structural Basis of the Allosteric Inhibition of Human ABCG2 by Nanobodies

Deep learning approaches for conformational flexibility and switching properties in protein design

Microsecond melting and revitrification of cryo samples: protein structure and beam-induced motion

Visualization, Interactive Handling and Simulation of Molecules in Commodity Augmented Reality in Web Browsers Using moleculARweb's Virtual Modeling Kits

Mechanism ofcyclic beta-glucan export by ABC transporter Cgt of Brucella

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Chat with Graph Search

From Sequence to Dynamics to Function: Computational Design of Allostery and Ligand Selectivity in G-Protein Coupled Receptors

Aptamer Conformational Dynamics Modulate Neurotransmitter Sensing in Nanopores

Computational design of dynamic receptor—peptide signaling complexes applied to chemotaxis

Theoretical analysis of divalent cation effects on aptamer recognition of neurotransmitter targets

Structural Basis of the Allosteric Inhibition of Human ABCG2 by Nanobodies

Deep learning approaches for conformational flexibility and switching properties in protein design

Microsecond melting and revitrification of cryo samples: protein structure and beam-induced motion

Visualization, Interactive Handling and Simulation of Molecules in Commodity Augmented Reality in Web Browsers Using moleculARweb's Virtual Modeling Kits

Protein target highlights in CASP15: Analysis of models by structure providers

Mechanism ofcyclic beta-glucan export by ABC transporter Cgt of Brucella