Oligomerization enables the selective targeting of an intrinsically disordered region by a small molecule

This repository contains the source data, analysis outputs, and metadata for “Oligomerization enables the selective targeting of an intrinsically disordered region by a small molecule.” Datasets span NMR (CSPs, PREs), dynamic light scattering, microscale thermophoresis, turbidity/c_sat, HPLC-based small-molecule partitioning, fluorescence/DIC microscopy, FRAP, and a cell-based LacI tethering assay. Raw instrument exports, processed tables (CSV/XLSX), images (TIFF/JPEG/LSM/CZI), and analysis scripts (Python/R) are provided with per-folder READMEs. Files are organized by figure/panel. Protein backbone NMR assignments are deposited in BMRB; accession numbers are listed in the repository README. No personally identifiable or sensitive data are included.
Intrinsically disordered regions (IDRs) are challenging drug targets because they lack stable interaction sites for drug-like molecules. We studied the first small molecule targeting an IDR to be evaluated in a clinical trial and found that ..., , # Data from: Oligomerization enables the selective targeting of an intrinsically disordered region by a small molecule

Dataset DOI: [10.5061/dryad.w9ghx3g3s](https://doi.org/10.5061/dryad.w9ghx3g3s)

## Description of the data and file structure

**Title:** Data for “Oligomerization enables the selective targeting of an intrinsically disordered region by a small molecule”

### Overview

Source data underlying Figures 1–6 and Supplementary Figures S1–S7, including NMR chemical shifts/CSPs and helix populations, DLS size distributions and monomer fractions, HPLC chromatograms, EPI-001 partitioning/ c_sat, FRAP quantifications and time-lapse imaging, PRE datasets, MST traces, and intact-MS adduct timecourses.

### File & folder structure

Files are organized by manuscript figures. Each ZIP contains raw exports and processed tables used to generate the corresponding panels.

* **Fig_1_EPI001_Selectivity_NRADs.zip** — NR AD sequence properties; per-residue CSPs of NR ADs ± EPI-001; EPI-001 ...,

本仓库包含论文《寡聚化使小分子能够选择性靶向内在无序区域》的源数据、分析结果与元数据。数据集涵盖核磁共振（NMR, Nuclear Magnetic Resonance）化学位移扰动（CSPs, Chemical Shift Perturbations）、顺磁弛豫增强（PREs, Paramagnetic Relaxation Enhancement）、动态光散射（DLS, Dynamic Light Scattering）、微量热泳动（MST, Microscale Thermophoresis）、浊度/饱和浓度（c_sat）、基于高效液相色谱（HPLC, High Performance Liquid Chromatography）的小分子分配实验、荧光/微分干涉差显微镜（DIC, Differential Interference Contrast）成像、荧光恢复后漂白（FRAP, Fluorescence Recovery After Photobleaching）测定，以及基于乳糖抑制蛋白（LacI） tethering的细胞实验。原始仪器导出文件、处理后的表格（CSV/XLSX）、图像（TIFF/JPEG/LSM/CZI）与分析脚本（Python/R）均配有分文件夹的README文档，所有文件按图表/子图进行组织。蛋白质骨架的核磁共振归属数据已提交至生物核磁共振波谱数据库（BMRB, Biological Magnetic Resonance Bank），入库编号详见仓库README。本仓库未包含任何个人可识别信息或敏感数据。

内在无序区域（IDRs, Intrinsically Disordered Regions）因缺乏类药分子的稳定结合位点，一直是极具挑战性的药物靶点。本研究针对首个进入临床试验的靶向内在无序区域的小分子展开研究，发现……

# 数据来源：《寡聚化使小分子能够选择性靶向内在无序区域》

数据集DOI: [10.5061/dryad.w9ghx3g3s](https://doi.org/10.5061/dryad.w9ghx3g3s)

## 数据与文件结构说明

**标题：** 《寡聚化使小分子能够选择性靶向内在无序区域》相关数据集

### 概览
本数据集包含论文图1至图6以及补充图S1至S7的源数据，涵盖核磁共振化学位移/CSP与螺旋占比、DLS粒径分布与单体占比、HPLC色谱图、EPI-001分配实验/饱和浓度c_sat、FRAP定量结果与延时成像数据、PRE数据集、MST曲线、完整质谱加合物时间进程数据。

### 文件与文件夹结构
所有文件按论文图表进行组织。每个压缩包均包含生成对应子图所需的原始导出文件与处理后表格。
* **Fig_1_EPI001_Selectivity_NRADs.zip** — 核受体激活域（NR AD）序列特性；添加/未添加EPI-001时核受体激活域的残基分辨率CSPs；EPI-001……