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» Welcome! Welcome, NMR world! Our visitors map. » Log in User Name Remember Me? Not a member yet? Register Now! Password [NMR paper] ASAP: An automatic sequential assignment program for congested multidimensional solid state NMR spectra Mar 25, 2024 - 1:50 PM - by nmrlearner ASAP: An automatic sequential assignment program for congested multidimensional solid state NMR spectra Accurate signal assignments can be challenging for congested solid-state NMR (ssNMR) spectra. We describe an automatic sequential assignment program (ASAP) to partially overcome this challenge. ASAP takes three input files: the residue type assignments (RTAs) determined from the better-resolved NCACX spectrum, the full peak list of the NCOCX spectrum, and the protein sequence. It integrates our auto-residue type assignment strategy (ARTIST) with the Monte Carlo simulated annealing (MCSA)... More... 0 Replies | 235 Views Structural basis for the ethanol action on G-protein–activated inwardly rectifying potassium channel 1 revealed by NMR ... - pnas.org Mar 25, 2024 - 1:35 AM - by nmrlearner Structural basis for the ethanol action on G-protein–activated inwardly rectifying potassium channel 1 revealed by NMR ... - pnas.org Structural basis for the ethanol action on G-protein–activated inwardly rectifying potassium channel 1 revealed by NMR ... pnas.org Read here 0 Replies | 104 Views [NMR paper] Xplor-NIH: Better parameters and protocols for NMR protein structure determination Mar 24, 2024 - 6:32 AM - by nmrlearner Xplor-NIH: Better parameters and protocols for NMR protein structure determination The present work describes an update to the protein covalent geometry and atomic radii parameters in the Xplor-NIH biomolecular structure determination package. In combination with an improved treatment of selected non-bonded interactions between atoms three bonds apart, such as those involving methyl hydrogens, and a previously developed term that affects the system's gyration volume, the new parameters are tested using structure calculations on 30 proteins with restraints derived from nuclear... More... 0 Replies | 73 Views [NMR paper] Systematic QM/MM Study for Predicting (31)P NMR Chemical Shifts of Adenosine Nucleotides in Solution and Stages of ATP Hydrolysis in a Protein Environment Mar 24, 2024 - 6:32 AM - by nmrlearner Systematic QM/MM Study for Predicting (31)P NMR Chemical Shifts of Adenosine Nucleotides in Solution and Stages of ATP Hydrolysis in a Protein Environment NMR (nuclear magnetic resonance) spectroscopy allows for important atomistic insights into the structure and dynamics of biological macromolecules; however, reliable assignments of experimental spectra are often difficult. Herein, quantum mechanical/molecular mechanical (QM/MM) calculations can provide crucial support. A major problem for the simulations is that experimental NMR signals are time-averaged over much longer time scales, and since computed chemical shifts are highly sensitive to... More... 0 Replies | 53 Views [NMR paper] Restraint validation of biomolecular structures determined by NMR in the Protein Data Bank Mar 24, 2024 - 6:32 AM - by nmrlearner Restraint validation of biomolecular structures determined by NMR in the Protein Data Bank Biomolecular structure analysis from experimental NMR studies generally relies on restraints derived from a combination of experimental and knowledge-based data. A challenge for the structural biology community has been a lack of standards for representing these restraints, preventing the establishment of uniform methods of model-vs-data structure validation against restraints and limiting interoperability between restraint-based structure modeling programs. The NEF and NMR-STAR formats provide... More... 0 Replies | 69 Views [NMR paper] 6-Strand to Stable 10/12 Helix Conformational Switch by Incorporating Flexible beta-hGly in the Homooligomers of Camphor Derived beta-Amino Acid: NMR and X-ray Crystallographic Evidence Mar 24, 2024 - 6:32 AM - by nmrlearner 6-Strand to Stable 10/12 Helix Conformational Switch by Incorporating Flexible beta-hGly in the Homooligomers of Camphor Derived beta-Amino Acid: NMR and X-ray Crystallographic Evidence Rational design of unnatural amino acid building blocks capable of stabilizing predictable secondary structures similar to protein fragments is pivotal for foldamer chemistry/catalysis. Here, we introduce novel ?-amino acid building blocks: [1S,2R,4R]exoCDA and [1S,2S,4R]endoCDA, derived from the abundantly available R(+)-camphor, which is traditionally known for its medicinal value. Further, we demonstrate that the homooligomers of exoCDA adopt 6-strand conformation, which switches to a robust... More... 0 Replies | 62 Views [NMR paper] Exploring Host-Guest Interactions within a 600 kDa DegP Protease Cage Complex Using Hydrodynamics Measurements and Methyl-TROSY NMR Mar 24, 2024 - 6:32 AM - by nmrlearner Exploring Host-Guest Interactions within a 600 kDa DegP Protease Cage Complex Using Hydrodynamics Measurements and Methyl-TROSY NMR The DegP protease-chaperone operates within the periplasm of Gram-negative bacteria, where it assists in the regulation of protein homeostasis, promotes virulence, and is essential to survival under stress. To carry out these tasks, DegP forms a network of preorganized apo oligomers that facilitate the capture of substrates within distributions of cage-like complexes which expand to encapsulate clients of various sizes. Although the architectures of DegP cage complexes are well understood,... More... 0 Replies | 62 Views [NMR paper] NMR-Based Analysis of Plasma Lipoprotein Subclass and Lipid Composition Demonstrate the Different Dietary Effects in ApoE-Deficient Mice Mar 24, 2024 - 6:32 AM - by nmrlearner NMR-Based Analysis of Plasma Lipoprotein Subclass and Lipid Composition Demonstrate the Different Dietary Effects in ApoE-Deficient Mice Plasma lipid levels are commonly measured using traditional methods such as triglycerides (TG), high-density lipoprotein (HDL), low-density lipoprotein (LDL), and cholesterol (CH). However, the use of newer technologies, such as nuclear magnetic resonance (NMR) with post-analysis platforms, has made it easier to assess lipoprotein profiles in research. In this study involving ApoE-deficient mice that were fed high-fat diets, significant changes were observed in TG, CH, free cholesterol (FC), and... More... 0 Replies | 93 Views Page 7 of 100 « First < 5 6 7 8 9 17 57 > Last »

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