Domain interactions determine the conformational ensemble of the periplasmic chaperone SurA
Sign Up to like & getrecommendations! Published in 2020 at "Protein Science"
DOI: 10.1002/pro.3924
Abstract: SurA is thought to be the most important periplasmic chaperone for outer membrane protein (OMP) biogenesis. Its structure is composed of a core region and two peptidylprolyl isomerase domains, termed P1 and P2, connected by… read more here.
Keywords: conformational ensemble; sura; domain interactions; domain ... See more keywords
Effects of pH on an IDP conformational ensemble explored by molecular dynamics simulation.
Sign Up to like & getrecommendations! Published in 2021 at "Biophysical chemistry"
DOI: 10.1016/j.bpc.2021.106552
Abstract: The conformational ensemble of intrinsically disordered proteins, such as α-synuclein, are responsible for their function and malfunction. Misfolding of α-synuclein can lead to neurodegenerative diseases, and the ability to study their conformations and those of… read more here.
Keywords: conformational ensemble; low conditions; idp conformational; ensemble explored ... See more keywords
Biasing the native α-synuclein conformational ensemble towards compact states abolishes aggregation and neurotoxicity
Sign Up to like & getrecommendations! Published in 2019 at "Redox Biology"
DOI: 10.1016/j.redox.2019.101135
Abstract: The aggregation of α-synuclein (α-syn) into amyloid fibrils is a major pathological hallmark of Parkinson's disease (PD) and other synucleinopathies. The mechanisms underlying the structural transition of soluble and innocuous α-syn to aggregated neurotoxic forms… read more here.
Keywords: conformational ensemble; biasing native; synuclein conformational; syn ... See more keywords
Capturing the Conformational Ensemble of the Mixed Folded Polyglutamine Protein Ataxin-3.
Sign Up to like & getrecommendations! Published in 2020 at "Structure"
DOI: 10.1016/j.str.2020.09.010
Abstract: Ataxin-3 is a deubiquitinase involved in protein quality control and other essential cellular functions. It preferentially interacts with polyubiquitin chains of four or more units attached to proteins delivered to the ubiquitin-proteasome system. Ataxin-3 is… read more here.
Keywords: protein; conformational ensemble; capturing conformational; ataxin ... See more keywords
Characterization of Heparin's Conformational Ensemble by Molecular Dynamics Simulations and Nuclear Magnetic Resonance Spectroscopy.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.1c00760
Abstract: Heparin is a highly charged, polysulfated polysaccharide and serves as an anticoagulant. Heparin binds to multiple proteins throughout the body, suggesting a large range of potential therapeutic applications. Although its function has been characterized in… read more here.
Keywords: dynamics simulations; nuclear magnetic; spectroscopy; heparin conformational ... See more keywords
Effect of Ligands and Transducers on the Neurotensin Receptor 1 Conformational Ensemble.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.2c00828
Abstract: Using a discrete, intracellular 19F nuclear magnetic resonance (NMR) probe on transmembrane helix 6 of the neurotensin receptor 1 (NTS1), we aim to understand how ligands and transducers modulate the receptor's structural ensemble in a… read more here.
Keywords: neurotensin receptor; ligands transducers; effect ligands; active like ... See more keywords
The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (Mpro)
Sign Up to like & getrecommendations! Published in 2022 at "IUCrJ"
DOI: 10.1107/s2052252522007497
Abstract: X-ray crystallography at variable temperature for SARS-CoV-2 Mpro reveals a complex conformational landscape, including a mobile metal at the catalytic dyad, mercurial conformational heterogeneity at various sites, and an intramolecular network bridging the active site… read more here.
Keywords: temperature dependent; ensemble sars; temperature; dependent conformational ... See more keywords
Is the Conformational Ensemble of Alzheimer’s Aβ10-40 Peptide Force Field Dependent?
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DOI: 10.1371/journal.pcbi.1005314
Abstract: By applying REMD simulations we have performed comparative analysis of the conformational ensembles of amino-truncated Aβ10-40 peptide produced with five force fields, which combine four protein parameterizations (CHARMM36, CHARMM22*, CHARMM22/cmap, and OPLS-AA) and two water… read more here.
Keywords: conformational ensemble; force field; charmm22; force ... See more keywords
Albumin Alters the Conformational Ensemble of Amyloid-β by Promiscuous Interactions: Implications for Amyloid Inhibition
Sign Up to like & getrecommendations! Published in 2020 at "Frontiers in Molecular Biosciences"
DOI: 10.3389/fmolb.2020.629520
Abstract: Human serum albumin (HSA) is a key endogenous inhibitor of amyloid-β (Αβ) aggregation. In vitro HSA inhibits Aβ fibrillization and targets multiple species along the aggregation pathway including monomers, oligomers, and protofibrils. Amyloid inhibition by… read more here.
Keywords: conformational ensemble; amyloid inhibition; ensemble amyloid; hsa ... See more keywords