Imatinib disassembles the regulatory core of Abelson kinase by binding to its ATP site and not by binding to its myristoyl pocket

NMR raw 1H-15N TROSY data and processed spectra of a titration of U-15N-labeled Abl83-534 with imatinib presented in the manuscript "Imatinib disassembles the regulatory core of Abelson kinase by binding to its ATP site and not by binding to its myristoyl pocket". 1H-15N TROSY spectra were recorded at molar ratios of 0, 1:10, 3:10, 5:10, 7:10, 1:1, and 3:1 imatinib:Abl83-534 at 303 K on a Bruker Ascend 600-MHz spectrometer equipped with a TCI triple resonance cryoprobe with 140 (15N) × 1024 (1H) complex points and acquisition times of 42 ms (15N) and 48 ms (1H). Description of files contained in DATA.zip: A3D.DAT: raw data in NMRPipe format with the 7 titration points stored a subsequent 2D planes B3D.DAT: processed data in NMRPipe format with the 7 titration points stored a subsequent 2D planes xy_3D.com: NMRPipe processing script to convert A3D.DAT to B3D.DAT

本数据集收录了发表于论文《伊马替尼通过结合ATP位点而非肉豆蔻酰口袋拆解Abelson激酶的调控核心》（原英文标题："Imatinib disassembles the regulatory core of Abelson kinase by binding to its ATP site and not by binding to its myristoyl pocket"）中的伊马替尼滴定U-15N均匀标记的Abl83-534实验相关核磁共振原始1H-15N横向弛豫优化光谱（TROSY）数据与处理后谱图。

1H-15N TROSY谱图的采集参数如下：实验温度为303 K，使用搭载TCI三重共振低温探头的Bruker Ascend 600 MHz核磁共振波谱仪完成采集；伊马替尼与Abl83-534的摩尔比设置为0、1:10、3:10、5:10、7:10、1:1及3:1，共7个滴定梯度；每个样品的二维谱复点数为140（15N维）×1024（1H维），15N维度采集时长为42 ms，1H维度采集时长为48 ms。

以下为DATA.zip压缩包内包含的文件说明：
1. A3D.DAT：采用NMRPipe格式存储的原始数据，包含7个滴定点对应的连续二维平面序列；
2. B3D.DAT：采用NMRPipe格式存储的处理后数据，包含7个滴定点对应的连续二维平面序列；
3. xy_3D.com：用于将A3D.DAT转换为B3D.DAT的NMRPipe处理脚本。