Investigation of backbone dynamics and local geometry of bio-molecules using calculated NMR chemical shifts and anisotropies [0.03%]
基于计算的核磁共振化学位移和各向异性研究生物大分子的骨架动力学及局部几何结构
Ulrich Sternberg,Raiker Witter
Ulrich Sternberg
Prerequisite for chemical shift (CS) and CS tensor calculations are highly refined structures defining the molecular surroundings of the nuclei under study. Here, we present geometry optimizations with 13C and 15N CS constraints for large b...
Perspective: the essential role of NMR in the discovery and characterization of intrinsically disordered proteins [0.03%]
透视：在内在无序蛋白的发现和表征中NMR发挥的核心作用
H Jane Dyson,Peter E Wright
H Jane Dyson
The 2019 ISMAR Prize recognized NMR studies of disordered proteins. Here we provide a highly personal perspective on the discovery of intrinsically disordered proteins and the development and application of NMR methods to characterize their...
Conformational flexibility of adenine riboswitch aptamer in apo and bound states using NMR and an X-ray free electron laser [0.03%]
利用NMR和X射线自由电子激光研究腺嘌呤核糖开关在无配体和有配体结合状态下的构象灵活性
Jienv Ding,Monalisa Swain,Ping Yu et al.
Jienv Ding et al.
Riboswitches are structured cis-regulators mainly found in the untranslated regions of messenger RNA. The aptamer domain of a riboswitch serves as a sensor for its ligand, the binding of which triggers conformational changes that regulate t...
Paramagnetic-iterative relaxation matrix approach: extracting PRE-restraints from NOESY spectra for 3D structure elucidation of biomolecules [0.03%]
顺磁迭代弛豫矩阵方法：从NOESY光谱中提取PRE约束以解析生物分子的三维结构
E C Cetiner,H R A Jonker,C Helmling et al.
E C Cetiner et al.
Paramagnetic relaxation enhancement (PRE) can be used to determine long-range distance restraints in biomolecules. The PREs are typically determined by analysis of intensity differences in HSQC experiments of paramagnetic and diamagnetic sp...
Random coil chemical shifts for serine, threonine and tyrosine phosphorylation over a broad pH range [0.03%]
宽pH范围内的丝氨酸、苏氨酸和酪氨酸磷酸化的无规则卷曲化学位移
Ruth Hendus-Altenburger,Catarina B Fernandes,Katrine Bugge et al.
Ruth Hendus-Altenburger et al.
Phosphorylation is one of the main regulators of cellular signaling typically occurring in flexible parts of folded proteins and in intrinsically disordered regions. It can have distinct effects on the chemical environment as well as on the...
Improved strategy for isoleucine 1H/13C methyl labeling in Pichia pastoris [0.03%]
甲基化核磁共振分析用毕赤酵母异亮氨酸的高效标记方法
Rustam Ali,Lindsay D Clark,Jacob A Zahm et al.
Rustam Ali et al.
Site specific methyl labeling combined with methyl TROSY offers a powerful NMR approach to study structure and dynamics of proteins and protein complexes of high molecular weight. Robust and cost-effective methods have been developed for si...
NMR-based fragment screening and lead discovery accelerated by principal component analysis [0.03%]
基于主成分分析的核磁共振碎片筛选及先导化合物发现加速研究
Andrew T Namanja,Jia Xu,Haihong Wu et al.
Andrew T Namanja et al.
Protein-based NMR spectroscopy has proven to be a very robust method for finding fragment leads to protein targets. However, one limitation of protein-based NMR is that the data acquisition and analysis can be time consuming. In order to st...
Fast MAS 1H-13C correlation NMR for structural investigations of plant cell walls [0.03%]
用于植物细胞壁结构研究的快速MAS 1H-13C相关NMR
Pyae Phyo,Mei Hong
Pyae Phyo
Plant cell walls consist of a mixture of polysaccharides that render the cell wall a strong and dynamic material. Understanding the molecular structure and dynamics of wall polysaccharides is important for understanding and improving the pr...
MAS dependent sensitivity of different isotopomers in selectively methyl protonated protein samples in solid state NMR [0.03%]
固体状态下NMR中选择性甲基质子化蛋白样品中不同同位素聚体的MAS依赖敏感度
Kai Xue,Riddhiman Sarkar,Zdenek Tosner et al.
Kai Xue et al.
Sensitivity and resolution together determine the quality of NMR spectra in biological solids. For high-resolution structure determination with solid-state NMR, proton-detection emerged as an attractive strategy in the last few years. Recen...
Site-selective 1H/2H labeling enables artifact-free 1H CPMG relaxation dispersion experiments in aromatic side chains [0.03%]
位点选择性的氢氘标记能够实现苯环侧链无伪影的CPMG弛豫分散实验
Heiner N Raum,Julia Schörghuber,Matthias Dreydoppel et al.
Heiner N Raum et al.
Aromatic side chains are often key residues in enzyme active sites and protein binding sites, making them attractive probes of protein dynamics on the millisecond timescale. Such dynamic processes can be studied by aromatic 13C or 1H CPMG r...