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» Welcome! Welcome, NMR world! Our visitors map. » Log in User Name Remember Me? Not a member yet? Register Now! Password Overall structure of BolA protein. (A) Escherichia coli BolA NMR... - ResearchGate Feb 28, 2025 - 7:11 AM - by nmrlearner Overall structure of BolA protein. (A) Escherichia coli BolA NMR... - ResearchGate Overall structure of BolA protein. (A) Escherichia coli BolA NMR... ResearchGate Read here 0 Replies | 1 Views Local structure propensities in disordered proteins from cross-correlated NMR spin relaxation Feb 27, 2025 - 7:10 PM - by nmrlearner Local structure propensities in disordered proteins from cross-correlated NMR spin relaxation Abstract Structurally diverse ensembles of intrinsically disordered proteins or regions are difficult to determine, because experimental observables usually report a conformational average. Therefore, in order to infer the underlying distribution, a set of experiments that measure different aspects of the system is necessary. In principle, there exists a set of cross-correlated relaxation (CCR) rates that report on protein backbone geometry in a complementary way. However, CCR rates are hard to interpret, because geometric information is encoded in an ambiguous way and they present themselves as a convolute of both structure and dynamics. Despite these challenges, CCR rates analyzed within a suitable statistical framework are able to identify conformations in structured proteins. In the context of disordered proteins, we find that this approach has to be adjusted to account for local dynamics via including an additional CCR rate. The results of this study show that CCR rates can be used to characterize structure propensities also in disordered proteins. Instead of using an experimental reference structure, we employed computational spectroscopy to calculate CCR rates from molecular dynamics (MD) simulations and subsequently compared the results to conformations as observed directly in the MD trajectory. Source: Journal of Biomolecular NMR 0 Replies | 12 Views Illuminating an invisible state of the HIV-1 capsid protein CTD dimer using 19F NMR and weighted ensemble simulations Feb 27, 2025 - 7:10 PM - by nmrlearner Illuminating an invisible state of the HIV-1 capsid protein CTD dimer using 19F NMR and weighted ensemble simulations Darian T. YangLillian T. ChongAngela M. GronenbornaMolecular Biophysics and Structural Biology Graduate Program, University of Pittsburgh and Carnegie Mellon University, Pittsburgh, PA 15260bDepartment of Structural Biology, University of Pittsburgh School of Medicine, Pittsburgh, PA 15260cDepartment of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260... Date: Proceedings of the National Academy of Sciences, Volume 122, Issue 8, February 2025. SignificanceProtein conformational dynamics are critical for understanding biological function. To derive atomic-resolution details of an alternate, “invisible” dimeric state of the HIV-1 capsid protein C-terminal domain (CTD), we used19F NMR and ... Read More PNAS: Number: 8 Volume: 122 0 Replies | 10 Views [NMR paper] Local structure propensities in disordered proteins from cross-correlated NMR spin relaxation Feb 27, 2025 - 7:10 PM - by nmrlearner Local structure propensities in disordered proteins from cross-correlated NMR spin relaxation Structurally diverse ensembles of intrinsically disordered proteins or regions are difficult to determine, because experimental observables usually report a conformational average. Therefore, in order to infer the underlying distribution, a set of experiments that measure different aspects of the system is necessary. In principle, there exists a set of cross-correlated relaxation (CCR) rates that report on protein backbone geometry in a complementary way. However, CCR rates are hard to... More... 0 Replies | 10 Views Measuring hydrogen exchange rates in invisible protein excited states - pnas.org Feb 27, 2025 - 7:01 AM - by nmrlearner Measuring hydrogen exchange rates in invisible protein excited states - pnas.org Measuring hydrogen exchange rates in invisible protein excited states pnas.org Read here 0 Replies | 15 Views Rapid Quantification of Protein Secondary Structure Composition from a Single Unassigned 1D - ACS Publications Feb 26, 2025 - 5:40 PM - by nmrlearner Rapid Quantification of Protein Secondary Structure Composition from a Single Unassigned 1D - ACS Publications Rapid Quantification of Protein Secondary Structure Composition from a Single Unassigned 1D ACS Publications Read here 0 Replies | 12 Views [NMR paper] Phi-Value and NMR Structural Analysis of a Coupled Native-State Prolyl Isomerization and Conformational Protein Folding Process Feb 26, 2025 - 5:40 PM - by nmrlearner Phi-Value and NMR Structural Analysis of a Coupled Native-State Prolyl Isomerization and Conformational Protein Folding Process Prolyl cis/trans isomerization is a rate-limiting step in protein folding, often coupling directly to the acquisition of native structure. Here, we investigated the interplay between folding and prolyl isomerization in the N2 domain of the gene-3-protein from filamentous phage fd, which adopts a native-state cis/trans equilibrium at Pro161. Using mutational and ?-value analysis, we identified a discrete folding nucleus encompassing the ?-strands surrounding Pro161. These native-like interactions... More... 0 Replies | 22 Views [NMR paper] Structure-guided development of chemically tailored peptide binders of RNF43/ZNRF3 to enable versatile design of membrane protein-targeting PROTACs Feb 26, 2025 - 5:40 PM - by nmrlearner Structure-guided development of chemically tailored peptide binders of RNF43/ZNRF3 to enable versatile design of membrane protein-targeting PROTACs Angewandte Chemie International Edition, Accepted Article. More... 0 Replies | 19 Views Page 1 of 100 1 2 3 11 51 > Last »

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