PXD051742

PXD051742 is an original dataset announced via ProteomeXchange.

Title	Monolinks Matter: Rational Modification of a Cross-Linker for Improved Flexible Protein Structure Modeling
Description	Chemical cross-linking/mass spectrometry (XL-MS) has emerged as a complementary tool for mapping interaction sites within protein networks as well as gaining moderate-resolution native structurale insight with minimal interference. XL-MS technology mostly relies on chemoselective reactions (crosslinking) between protein residues and a linker. Although complementary to crosslinks, monolinks are less commonly recognised as adjuvants for protein structure elucidation. Herein we report the rational design and synthesis of DSSO-carbamate, a novel cross-linker with increased selectivity for monolinks. Monolinks represent useful information for the elucidation of protein conformational changes and recent work has exploited their application in experimental crosslinking MS integrated protein structure prediction algorithms such as XL-MS-AlphaFold2 . its application supported by AlphaFold2 . Herein we report the rational design and synthesis of DSSO-carbamate, a novel cross-linker with increased selectivity for monolinks. Further, we demonstrate DSSO-carbamate’s capacity to facilitate improved protein structure prediction on account of its superior monolink generation.
HostingRepository	PRIDE
AnnounceDate	2025-05-06
AnnouncementXML	Submission_2025-05-06_15:06:37.744.xml
DigitalObjectIdentifier	https://dx.doi.org/10.6019/PXD051742
ReviewLevel	Peer-reviewed dataset
DatasetOrigin	Original dataset
RepositorySupport	Supported dataset by repository
PrimarySubmitter	Kish Adoni
SpeciesList	scientific name: Homo sapiens (Human); NCBI TaxID: 9606;
ModificationList	No PTMs are included in the dataset
Instrument	LTQ FT

Revision	Datetime	Status	ChangeLog Entry
0	2024-04-25 09:45:25	ID requested
⏵ 1	2025-05-06 15:06:38	announced

10.1021/acs.analchem.4c05319;

10.6019/PXD051742;

Saridakis I, Adoni KR, Leischner T, Brutiu BR, Shaaban S, Ferrari G, Thalassinos K, Maulide N, Rational Modification of a Cross-Linker for Improved Flexible Protein Structure Modeling. Anal Chem, 97(2):1273-1280(2025) [pubmed]

submitter keyword: protein structure, Alphafold, crosslink, dsso-carbamate,Monolink

Prof Konstantinos Thalassinos
contact affiliation	UCL
contact email	k.thalassinos@ucl.ac.uk
lab head
Kish Adoni
contact affiliation	University College London
contact email	kish.95@live.com
dataset submitter

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/2025/05/PXD051742

PRIDE project URI

• PRIDE
  1. PXD051742
     1. Label: PRIDE project
     2. Name: Monolinks Matter: Rational Modification of a Cross-Linker for Improved Flexible Protein Structure Modeling