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» Welcome! Welcome, NMR world! Our visitors map. » Log in User Name Remember Me? Not a member yet? Register Now! Password Beyond Isotopic Labeling: Expanding the Reach of Protein-Detect NMR in Lead Discovery - ACS Publications Mar 13, 2025 - 11:21 AM - by nmrlearner Beyond Isotopic Labeling: Expanding the Reach of Protein-Detect NMR in Lead Discovery - ACS Publications Beyond Isotopic Labeling: Expanding the Reach of Protein-Detect NMR in Lead Discovery ACS Publications Read here 0 Replies | 26 Views Terminal spin labeling of xylotriose strongly affects interactions in the active site of xylanase BcX Mar 12, 2025 - 11:19 PM - by nmrlearner Terminal spin labeling of xylotriose strongly affects interactions in the active site of xylanase BcX Paramagnetic probes provide long-range distance information and report on minor conformations of biomacromolecules. However, it is important to realize that any probe can affect the system of interest. Here, we report on the effects of attaching a small nitroxide spin label [TEMPO, (2,2,6,6-tetramethylpiperidin-1-yl)oxyl] to xylotriose, a substrate of the enzyme xylanase from Bacillus circulans (BcX). BcX has a long and narrow active site cleft accommodating six xylose units and a secondary binding site on its surface. The aim of the study was to probe the interactions of the substrate with the enzyme using paramagnetic relaxation enhancements (PREs). Binding of the substrate to the surface exposed secondary binding site resulted in strong and localized PREs, indicative of well-defined binding. The xylotriose with diamagnetic control tag was still able to bind the active site cleft, though the rate of exchange was reduced relative to that of untagged xylotriose. The substrate with the paramagnetic TEMPO was not able to bind inside the active site cleft. Also, additional interactions on another surface location showed differences between the paramagnetic substrate and the diamagnetic control, despite the minimal chemical differences between TEMPO modified xylotriose and its reduced, diamagnetic counterpart. Our findings underscore the sensitivity of BcX substrate binding to minor substrate modifications. This study serves as a reminder that any probe, including the attachment of a small paramagnetic group, can affect the behavior of the system under investigation. Even the chemical difference between a paramagnetic tag and its diamagnetic control can result in differences in the molecular interactions. ... [Read More] 0 Replies | 59 Views [NMR paper] Binding Sites of a PET Ligand in Tau Fibrils with the Alzheimer's Disease Fold from (19)F and (13)C Solid-State NMR Mar 12, 2025 - 11:19 PM - by nmrlearner Binding Sites of a PET Ligand in Tau Fibrils with the Alzheimer's Disease Fold from (19)F and (13)C Solid-State NMR Aggregation of the tau protein into cross-? amyloid fibrils is a hallmark of Alzheimer's disease (AD) and many other neurodegenerative disorders. Developing small molecules that bind these tau fibrils is important for the diagnosis and treatment of tauopathies. Here, we report the binding sites of a positron emission tomography (PET) ligand, PI-2620, to a recombinant tau construct that adopts the C-shaped AD fold. Using solid-state NMR ^(13)C-^(19)F rotational-echo double-resonance (REDOR)... More... 0 Replies | 53 Views Beyond Isotopic Labeling: Expanding the Reach of Protein-Detect NMR in Lead Discovery - ACS Publications Mar 12, 2025 - 11:11 AM - by nmrlearner Beyond Isotopic Labeling: Expanding the Reach of Protein-Detect NMR in Lead Discovery - ACS Publications Beyond Isotopic Labeling: Expanding the Reach of Protein-Detect NMR in Lead Discovery ACS Publications Read here 0 Replies | 37 Views Transverse relaxation-optimized NMR spectroscopy with the outer membrane protein OmpX in dihexanoyl phosphatidylcholine micelles - pnas.org Mar 11, 2025 - 11:03 PM - by nmrlearner Transverse relaxation-optimized NMR spectroscopy with the outer membrane protein OmpX in dihexanoyl phosphatidylcholine micelles - pnas.org Transverse relaxation-optimized NMR spectroscopy with the outer membrane protein OmpX in dihexanoyl phosphatidylcholine micelles pnas.org Read here 0 Replies | 44 Views [NMR paper] Rational Design of Lanthanide-Binding Tags to Optimize Magnetic Anisotropy in Paramagnetic Protein NMR Mar 11, 2025 - 10:54 AM - by nmrlearner Rational Design of Lanthanide-Binding Tags to Optimize Magnetic Anisotropy in Paramagnetic Protein NMR Due to their exceptional anisotropic magnetic properties, lanthanide ion (Ln^(3+)) complexes are of great utility in many fields of chemistry, including magnetic materials, biomedical imaging, and nuclear magnetic resonance (NMR) spectroscopy. How to achieve large magnetic anisotropies in the Ln^(3+) complexes coordinated with open-chain ligands is still a challenge. In this study, we started from the open-chain 4PS-PyMTA ligand and assessed the magnetic anisotropy using installed Ln^(3+)... More... 0 Replies | 145 Views 19F Dark-State Exchange Saturation Transfer NMR Reveals Reversible Formation of Protein-Specific Large Clusters in High-Concentration Protein Mixtures - ACS Publications Mar 10, 2025 - 9:32 PM - by nmrlearner 19F Dark-State Exchange Saturation Transfer NMR Reveals Reversible Formation of Protein-Specific Large Clusters in High-Concentration Protein Mixtures - ACS Publications 19F Dark-State Exchange Saturation Transfer NMR Reveals Reversible Formation of Protein-Specific Large Clusters in High-Concentration Protein Mixtures ACS Publications Read here 0 Replies | 32 Views [NMR paper] (1)H-NMR-Based Biochemometric Strategy to Identify Transient Receptor Potential Vanilloid 1-Stimulating Compounds from Alpinia officinarum Rhizome Mar 10, 2025 - 9:32 PM - by nmrlearner (1)H-NMR-Based Biochemometric Strategy to Identify Transient Receptor Potential Vanilloid 1-Stimulating Compounds from Alpinia officinarum Rhizome This study established a ¹H-NMR-based biochemometric approach for the isolation of biologically active compounds from complex extracts. In both pharmacognosy and natural product chemistry, reliably isolating bioactive compounds typically necessitates repeating time-consuming and laborious isolation and purification steps, presenting a bottleneck in many studies. We applied biochemometric methods to accurately estimate active compounds, thus minimizing the number of assays and isolation steps.... More... 0 Replies | 84 Views Page 10 of 100 « First < 8 9 10 11 12 20 60 > Last »

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