PXD050663 is an
original dataset announced via ProteomeXchange.
Dataset Summary
| Title | Complementary Backbone and Side-chain Analysis of Drug – Protein Interactions: Combining Hydrogen/Deuterium Exchange and Protein Oxidative Footprinting to Discriminate the Binding of Small Molecule Therapeutics |
| Description | Characterizing and distinguishing protein-ligand interactions is crucial for understanding cellular metabolism and guiding drug discovery and development. We employ hydrogen/deuterium exchange mass spectrometry (HDX-MS) and a new Fenton chemistry-based approach to protein oxidative mass spectrometry (OX-MS) to provide complementary insight into the binding of the small molecule therapeutic Venetoclax (ABT-199, GDC-0199-Abbvie and Genentech) and a drug candidate S55746 (Servier) to the apoptotic regulatory protein Bcl-2. The combination of the orthogonal techniques HDX-MS and OX-MS clearly differentiate the binding profiles of the two drug molecules. |
| HostingRepository | PRIDE |
| AnnounceDate | 2026-03-27 |
| AnnouncementXML | Submission_2026-03-27_06:11:18.705.xml |
| DigitalObjectIdentifier | |
| ReviewLevel | Peer-reviewed dataset |
| DatasetOrigin | Original dataset |
| RepositorySupport | Unsupported dataset by repository |
| PrimarySubmitter | Yan Sun |
| SpeciesList | scientific name: Homo sapiens (Human); NCBI TaxID: NEWT:9606; |
| ModificationList | monohydroxylated residue |
| Instrument | Synapt MS |
Dataset History
| Revision | Datetime | Status | ChangeLog Entry |
|---|
| 0 | 2024-03-15 10:57:45 | ID requested | |
| ⏵ 1 | 2026-03-27 06:11:19 | announced | |
Publication List
| Sun Y, Houde D, Iacob RE, Baird J, Swift RV, Holliday M, Shi X, Sidoli S, Brenowitz M, Hydrogen/Deuterium Exchange and Protein Oxidative Footprinting with Mass Spectrometry Collectively Discriminate the Binding of Small-Molecule Therapeutics to Bcl-2. Anal Chem, 97(8):4329-4340(2025) [pubmed] |
| 10.1021/acs.analchem.4c04516; |
Keyword List
| submitter keyword: HDX, OX-MS,BCL2, Binding |
Contact List
| Damian Houde |
|---|
| contact affiliation | Relay Therapeutics |
| contact email | dhoude@relaytx.com |
| lab head | |
| Yan Sun |
|---|
| contact affiliation | Relay Therapeutics |
| contact email | ysun@relaytx.com |
| dataset submitter | |
Full Dataset Link List
Dataset FTP location
NOTE: Most web browsers have now discontinued native support for FTP access within the browser window. But you can usually install another FTP app (we recommend FileZilla) and configure your browser to launch the external application when you click on this FTP link. Or otherwise, launch an app that supports FTP (like FileZilla) and use this address: ftp://ftp.pride.ebi.ac.uk/pride/data/archive/2026/03/PXD050663 |
| PRIDE project URI |
Repository Record List
[ + ]
[ - ]
- PRIDE
- PXD050663
- Label: PRIDE project
- Name: Complementary Backbone and Side-chain Analysis of Drug – Protein Interactions: Combining Hydrogen/Deuterium Exchange and Protein Oxidative Footprinting to Discriminate the Binding of Small Molecule Therapeutics
