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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] Complex peptide macrocycle optimization: combining NMR restraints with conformational analysis to guide structure-based and ligand-based design Aug 03, 2023 - 11:27 PM - by nmrlearner Complex peptide macrocycle optimization: combining NMR restraints with conformational analysis to guide structure-based and ligand-based design Systematic optimization of large macrocyclic peptide ligands is a serious challenge. Here, we describe an approach for lead-optimization using the PD-1/PD-L1 system as a retrospective example of moving from initial lead compound to clinical candidate. We show how conformational restraints can be derived by exploiting NMR data to identify low-energy solution ensembles of a lead compound. Such restraints can be used to focus conformational search for analogs in order to accurately predict bound... More... 0 Replies | 343 Views [NMR paper] NMR Shows Why a Small Chemical Change Almost Abolishes the Antimicrobial Activity of Glycocin F Aug 03, 2023 - 11:27 PM - by nmrlearner NMR Shows Why a Small Chemical Change Almost Abolishes the Antimicrobial Activity of Glycocin F Glycocin F (GccF), a ribosomally synthesized, post-translationally modified peptide secreted by Lactobacillus plantarum KW30, rapidly inhibits the growth of susceptible bacteria at nanomolar concentrations. Previous studies have highlighted structural features important for its activity and have shown the absolute requirement for the Ser18 O-linked GlcNAc on the eight-residue loop linking the two short helices of the (C-X6-C)(2) structure. Here, we show that an ostensibly very small chemical... More... 0 Replies | 162 Views Global Protein Crystallization And Crystallography Market Size and ... - University City Review Aug 01, 2023 - 10:34 PM - by nmrlearner Global Protein Crystallization And Crystallography Market Size and ... - University City Review Global Protein Crystallization And Crystallography Market Size and ... University City Review Read here 0 Replies | 162 Views [NMR paper] Fragment Screening and Fast Micromolar Detection on a Benchtop NMR Spectrometer Boosted by Photoinduced Hyperpolarization Aug 01, 2023 - 10:34 PM - by nmrlearner Fragment Screening and Fast Micromolar Detection on a Benchtop NMR Spectrometer Boosted by Photoinduced Hyperpolarization Fragment-based drug design is a well-established strategy for rational drug design, with nuclear magnetic resonance (NMR) on high-field spectrometers as the method of reference for screening and hit validation. However, high-field NMR spectrometers are not only expensive, but require specialized maintenance, dedicated space, and depend on liquid helium cooling which became critical over the recurring global helium shortages. We propose an alternative to high-field NMR screening by applying the... More... 0 Replies | 314 Views [NMR paper] Design of Highly Fluorinated Peptides for Cell-based 19F NMR Aug 01, 2023 - 12:31 AM - by nmrlearner Design of Highly Fluorinated Peptides for Cell-based 19F NMR The design of imaging agents with high fluorine content is essential for overcoming the challenges associated with signal detection limits in ^(19)F MRI-based molecular imaging. In addition to perfluorocarbon and fluorinated polymers, fluorinated peptides offer an additional strategy for creating sequence-defined ^(19)F magnetic resonance imaging (MRI) imaging agents with a high fluorine signal. Our previously reported unstructured trifluoroacetyllysine-based peptides possessed good... More... 0 Replies | 244 Views [NMR paper] Two-Dimensional NMR Spectroscopy of the G Protein-Coupled Receptor A2AAR in Lipid Nanodiscs Jul 30, 2023 - 9:47 AM - by nmrlearner Two-Dimensional NMR Spectroscopy of the G Protein-Coupled Receptor A2AAR in Lipid Nanodiscs Eight hundred and twenty-six human G protein-coupled receptors (GPCRs) mediate the actions of two-thirds of the human hormones and neurotransmitters and over one-third of clinically used drugs. Studying the structure and dynamics of human GPCRs in lipid bilayer environments resembling the native cell membrane milieu is of great interest as a basis for understanding structure-function relationships and thus benefits continued drug development. Here, we incorporate the human A(2A) adenosine... More... 0 Replies | 322 Views Researchers investigate how the cellular environment affects protein conformational dynamics - Phys.org Jul 27, 2023 - 10:14 PM - by nmrlearner Researchers investigate how the cellular environment affects protein conformational dynamics - Phys.org Researchers investigate how the cellular environment affects protein conformational dynamics Phys.org Read here 0 Replies | 224 Views [NMR paper] Backbone and side chain NMR assignments and secondary structure calculation of the pheromone binding protein3 of Ostrinia nubilalis, an agricultural pest Jul 27, 2023 - 10:14 PM - by nmrlearner Backbone and side chain NMR assignments and secondary structure calculation of the pheromone binding protein3 of Ostrinia nubilalis, an agricultural pest Ostrinia nubilalis, also known as European Corn Borer (ECB), is a serious pest in Europe and North America, as well as in Central Asia and Northern Africa. It damages a variety of agricultural crops such as corn, oats, buckwheat, millet, and soybeans. causing annually at least one billion dollars in loss. The Ostrinia nubilalis pheromone-binding protein3 (OnubPBP3), preferentially expressed in the male moth antenna, has been implicated in the detection of the female-secreted pheromone blend... More... 0 Replies | 218 Views Page 74 of 100 « First < 24 64 72 73 74 75 76 84 > Last »

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