Ab E, Atkinson A R, Banci L, Bertini I, Ciofi-Baffoni S, Brunner K, Diercks T, Dötsch V, Engelke F, Folkers G E, Griesinger C, Gronwald W, Günther U, Habeck M, de Jong R N, Kalbitzer H R, Kieffer B, Leeflang B R, Loss S, Luchinat C, Marquardsen T, Moskau D, Neidig K P, Nilges M, Piccioli M, Pierattelli R, Rieping W, Schippmann T, Schwalbe H, Travé G, Trenner J, Wöhnert J, Zweckstetter M, Kaptein R
Bijvoet Center for Biomolecular Research, NMR Spectroscopy, Utrecht University, Padualaan 8, CH Utrecht, The Netherlands.
Acta Crystallogr D Biol Crystallogr. 2006 Oct;62(Pt 10):1150-61. doi: 10.1107/S0907444906032070. Epub 2006 Sep 19.
This paper describes the developments, role and contributions of the NMR spectroscopy groups in the Structural Proteomics In Europe (SPINE) consortium. Focusing on the development of high-throughput (HTP) pipelines for NMR structure determinations of proteins, all aspects from sample preparation, data acquisition, data processing, data analysis to structure determination have been improved with respect to sensitivity, automation, speed, robustness and validation. Specific highlights are protonless (13)C-direct detection methods and inferential structure determinations (ISD). In addition to technological improvements, these methods have been applied to deliver over 60 NMR structures of proteins, among which are five that failed to crystallize. The inclusion of NMR spectroscopy in structural proteomics pipelines improves the success rate for protein structure determinations.
本文描述了欧洲结构蛋白质组学（SPINE）联盟中核磁共振波谱学团队的发展、作用和贡献。聚焦于用于蛋白质核磁共振结构测定的高通量（HTP）流程的开发，从样品制备、数据采集、数据处理、数据分析到结构测定的各个方面，在灵敏度、自动化、速度、稳健性和验证方面均有改进。具体亮点包括无质子（13）C直接检测方法和推理结构测定（ISD）。除了技术改进外，这些方法已用于提供60多个蛋白质的核磁共振结构，其中有5个未能结晶。将核磁共振波谱学纳入结构蛋白质组学流程提高了蛋白质结构测定的成功率。
