Toho-1 β-lactamase: backbone chemical shift assignments and changes in dynamics upon binding with avibactam [0.03%]
托霍-1β-内酰胺酶：与阿维巴坦结合的动力学变化及主链化学位移 Assignment
Varun V Sakhrani,Rittik K Ghosh,Eduardo Hilario et al.
Varun V Sakhrani et al.
Backbone chemical shift assignments for the Toho-1 β-lactamase (263 amino acids, 28.9 kDa) are reported based on triple resonance solution-state NMR experiments performed on a uniformly 2H,13C,15N-labeled sample. These assignments allow fo...
Xu Wang,Alemayehu A Gorfe,John A Putkey
Xu Wang
We used NMR to show that the antipsychotic phenothiazine drugs promazine and promethazine bind to GDP-KRAS. Promazine also binds to oncogenic GDP-KRAS(G12D), and to wild type GppNHp-KRAS. A panel of additional phenothiazines bind to GDP-KRA...
Biomolecular solid-state NMR spectroscopy at 1200 MHz: the gain in resolution [0.03%]
生物分子固态核磁共振谱仪的1200兆赫装置：分辨率的提升
Morgane Callon,Alexander A Malär,Sara Pfister et al.
Morgane Callon et al.
Progress in NMR in general and in biomolecular applications in particular is driven by increasing magnetic-field strengths leading to improved resolution and sensitivity of the NMR spectra. Recently, persistent superconducting magnets at a ...
Extensively sparse 13C labeling to simplify solid-state NMR 13C spectra of membrane proteins [0.03%]
广泛稀疏的13C标记，以简化膜蛋白固态NMR的13C谱图
Qiong Tong,Huan Tan,Jianping Li et al.
Qiong Tong et al.
Solid-state Nuclear Magnetic Resonance (ssNMR) is an emerging technique to investigate the structures and dynamics of membrane proteins in an artificial or native membrane environment. However, the structural studies of proteins by ssNMR ar...
Jakob Toudahl Nielsen,Frans A A Mulder
Jakob Toudahl Nielsen
NMR chemical shifts (CSs) are delicate reporters of local protein structure, and recent advances in random coil CS (RCCS) prediction and interpretation now offer the compelling prospect of inferring small populations of structure from small...
Optimized precursor to simplify assignment transfer between backbone resonances and stereospecifically labelled valine and leucine methyl groups: application to human Hsp90 N-terminal domain [0.03%]
用于简化主链共振和立体特异性标记的缬氨酸和亮氨酸甲基组之间的分配转移的优化前体：在人类Hsp90 N端结构域中的应用
Faustine Henot,Rime Kerfah,Ricarda Törner et al.
Faustine Henot et al.
Methyl moieties are highly valuable probes for quantitative NMR studies of large proteins. Hence, their assignment is of the utmost interest to obtain information on both interactions and dynamics of proteins in solution. Here, we present t...
A simple approach for reconstruction of non-uniformly sampled pseudo-3D NMR data for accurate measurement of spin relaxation parameters [0.03%]
一种重构非等间距采样伪三维核磁共振数据以精确测量自旋弛豫参数的简便方法
Kyle W East,Frank Delaglio,George P Lisi
Kyle W East
We explain how to conduct a pseudo-3D relaxation series NUS measurement so that it can be reconstructed by existing 3D NUS reconstruction methods to give accurate relaxation values. We demonstrate using reconstruction algorithms IST and SMI...
Quantifying the effects of long-range 13C-13C dipolar coupling on measured relaxation rates in RNA [0.03%]
长程13C-13C偶极耦合对RNA中观测到的弛豫速率的影响量化
Lukasz T Olenginski,Theodore K Dayie
Lukasz T Olenginski
Selective stable isotope labeling has transformed structural and dynamics analysis of RNA by NMR spectroscopy. These methods can remove 13C-13C dipolar couplings that complicate 13C relaxation analyses. While these phenomena are well docume...
Spectral editing of alanine, serine, and threonine in uniformly labeled proteins based on frequency-selective homonuclear recoupling in solid-state NMR [0.03%]
基于固态NMR中同核重整的频域编辑在均匀标记蛋白质中的丙氨酸、丝氨酸和苏氨酸的选择性编辑
Hang Xiao,Zhengfeng Zhang,Yongxiang Zhao et al.
Hang Xiao et al.
Spectral editing is crucial to simplify the crowded solid-state NMR spectra of proteins. New techniques are introduced to edit 13C-13C correlations of uniformly labeled proteins under moderate magic-angle spinning (MAS), based on our recent...
FID-Net: A versatile deep neural network architecture for NMR spectral reconstruction and virtual decoupling [0.03%]
FID-Net：一种用于NMR光谱重构和虚拟解偶的通用深度神经网络架构
Gogulan Karunanithy,D Flemming Hansen
Gogulan Karunanithy
In recent years, the transformative potential of deep neural networks (DNNs) for analysing and interpreting NMR data has clearly been recognised. However, most applications of DNNs in NMR to date either struggle to outperform existing metho...