Summary of project PR002550
This data is available at the NIH Common Fund's National Metabolomics Data Repository (NMDR) website, the Metabolomics Workbench, https://www.metabolomicsworkbench.org, where it has been assigned Project ID PR002550. The data can be accessed directly via it's Project DOI: 10.21228/M81K02 This work is supported by NIH grant, U2C- DK119886.
See: https://www.metabolomicsworkbench.org/about/howtocite.php
| Project ID: | PR002550 |
| Project DOI: | doi: 10.21228/M81K02 |
| Project Title: | Enantioselective Protein Affinity Selection Mass Spectrometry (EAS-MS) |
| Project Summary: | We report an enantioselective protein affinity selection mass spectrometry screening approach (EAS-MS) that enables the detection of weak binders, informs on selectivity, and generates orthogonal confirmation of binding. After method development with control proteins, we screened 31 human proteins against a designed library of 8,210 chiral compounds. A total of 16 binders to 12 targets, including many proteins predicted to be “challenging to ligand”, were discovered and confirmed in orthogonal biophysical assays. Seven binders to six targets bound in an enantioselective manner, with KD values ranging from 3 to 50 µM. Binders for four targets (DDB1, WDR91, WDR55, and HAT1) were selected for in-depth characterization using X-ray crystallography. In all four cases, the mechanism for enantioselectivity was readily explained. We conclude EAS-MS can be used to identify and characterize selective and weakly binding ligands for novel protein targets with unprecedented throughput and sensitivity. |
| Institute: | University of Toronto |
| Last Name: | peng |
| First Name: | hui |
| Address: | 80 st george street, toronto, ON, M5S3H6, Canada |
| Email: | hui.peng@utoronto.ca |
| Phone: | 6476730580 |
Summary of all studies in project PR002550
| Study ID | Study Title | Species | Institute | Analysis(* : Contains Untargted data) | Release Date | Version | Samples | Download(* : Contains raw data) |
|---|---|---|---|---|---|---|---|---|
| ST004062 | Enantioselective Protein Affinity Selection Mass Spectrometry (EAS-MS) | University of Toronto | MS* | 2025-07-23 | 1 | 2835 | Uploaded data (24.6G)* |
