The tumor suppressor p53 is the most frequently mutated gene in human cancer, and thus reactivation of mutated p53 is a promising avenue for cancer therapy. Analysis of wildtype p53 and the Y220C cancer mutant long-timescale molecular dynamics simulations with Markov state models and validation by NMR relaxation studies has uncovered the involvement of loop L6 in the slowest motions of the protein. Due to its distant location from the DNA-binding surface, the conformational dynamics of this loop...
[NMR paper] Membrane Interactions of alpha-Synuclein Revealed by Multiscale Molecular Dynamics Simulations, Markov State Models, and NMR
Membrane Interactions of alpha-Synuclein Revealed by Multiscale Molecular Dynamics Simulations, Markov State Models, and NMR
?-Synuclein (?S) is a presynaptic protein that binds to cell membranes and is linked to Parkinson's disease (PD). Binding of ?S to membranes is a likely first step in the molecular pathophysiology of PD. The ?S molecule can adopt multiple conformations, being largely disordered in water, adopting a ?-sheet conformation when present in amyloid fibrils, and forming a dynamic multiplicity of ?-helical conformations when bound to lipid bilayers and related...
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03-16-2021 06:18 AM
The Overlooked Link Between Two of This Year's Nobel Prizes - Quanta Magazine
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The Overlooked Link Between Two of This Year's Nobel Prizes
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Nuclear magnetic resonance imaging, another structural biology tool, is good for looking only at very small proteins or portions of proteins. With cryo-EM, you don't need quite as much material, nor do you need a crystal, and size isn't an obstacle ...
The Overlooked Link Between Two of This Year's Nobel Prizes - Quanta Magazine
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11-28-2017 03:58 AM
[NMR paper] On the reliability of NMR relaxation data analyses: A Markov Chain Monte Carlo approach.
On the reliability of NMR relaxation data analyses: A Markov Chain Monte Carlo approach.
Related Articles On the reliability of NMR relaxation data analyses: A Markov Chain Monte Carlo approach.
J Magn Reson. 2014 Jul 26;246C:94-103
Authors: Abergel D, Volpato A, Coutant EP, Polimeno A
Abstract
The analysis of NMR relaxation data is revisited along the lines of a Bayesian approach. Using a Markov Chain Monte Carlo strategy of data fitting, we investigate conditions under which relaxation data can be effectively interpreted in...
[NMR paper] NMR Relaxation in Proteins with Fast Internal Motions and Slow Conformational Exchange: Model Free Framework and Markov State Simulations.
NMR Relaxation in Proteins with Fast Internal Motions and Slow Conformational Exchange: Model Free Framework and Markov State Simulations.
NMR Relaxation in Proteins with Fast Internal Motions and Slow Conformational Exchange: Model Free Framework and Markov State Simulations.
J Phys Chem B. 2013 May 2;
Authors: Xia J, Deng NJ, Levy RM
Abstract
Calculating NMR relaxation effects for proteins with dynamics on multiple timescales generally requires very long trajectories based on conventional molecular dynamics simulations. In this report,...
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05-04-2013 09:18 PM
[NMR paper] Interactions of lipopolysaccharide with lipid membranes, raft models - a solid state NMR study.
Interactions of lipopolysaccharide with lipid membranes, raft models - a solid state NMR study.
Related Articles Interactions of lipopolysaccharide with lipid membranes, raft models - a solid state NMR study.
Biochim Biophys Acta. 2013 Apr 5;
Authors: Ciesielski F, Griffin DC, Rittig M, Moriyón I, Bonev BB
Abstract
Lipopolysaccharide (LPS) is a major component of the external leaflet of bacterial outer membranes, key pro-inflammatory factor and an important mediator of host-pathogen interactions. In host cells it activates the complement...
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04-10-2013 07:21 PM
[NMR paper] NMR structures of loop B RNAs from the stem-loop IV domain of the enterovirus interna
NMR structures of loop B RNAs from the stem-loop IV domain of the enterovirus internal ribosome entry site: a single C to U substitution drastically changes the shape and flexibility of RNA.
Related Articles NMR structures of loop B RNAs from the stem-loop IV domain of the enterovirus internal ribosome entry site: a single C to U substitution drastically changes the shape and flexibility of RNA.
Biochemistry. 2004 May 18;43(19):5757-71
Authors: Du Z, Ulyanov NB, Yu J, Andino R, James TL
The 5'-untranslated region of positive-strand RNA viruses...
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[NMR paper] Structure of an RNA hairpin loop with a 5'-CGUUUCG-3' loop motif by heteronuclear NMR
Structure of an RNA hairpin loop with a 5'-CGUUUCG-3' loop motif by heteronuclear NMR spectroscopy and distance geometry.
http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--pubs.acs.org-images-acspubs.jpg Related Articles Structure of an RNA hairpin loop with a 5'-CGUUUCG-3' loop motif by heteronuclear NMR spectroscopy and distance geometry.
Biochemistry. 1997 Nov 18;36(46):13989-4002
Authors: Sich C, Ohlenschläger O, Ramachandran R, Görlach M, Brown LR
Structural features of a 19-nucleotide RNA hairpin loop (5'-GGCGUACGUUUCGUACGCC-3'),...
Markov state models and NMR uncover an overlooked allosteric loop in p53
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