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PXD024932

PXD024932 is an original dataset announced via ProteomeXchange.

Dataset Summary
TitleQuantification of Raloxifene Specific 471 Da Adducts in CYP3A4 and P450-Reductase
DescriptionDrugs are often metabolized to reactive intermediates that form protein adducts. Adducts can inhibit critical proteins, elicit immune responses, and cause life threatening adverse drug reactions. The masses of metabolites are frequently unknown, rendering traditional mass spectrometry-based proteomics approaches incapable of adduct identification: masses require defining before searching. “Open” search algorithms address this problem. Here, we present Magnum, an open search tool optimized for adduct identification; and Limelight, a web-based data processing package for analysis and visualization of data from all existing search algorithms, incorporating specific tools for sample comparisons and xenobiotic-adduct discovery. We demonstrate, using three drug/protein combinations, our new methods and software tools enable accurate identification of xenobiotic-protein adducts with no prior knowledge of adduct masses or protein targets. Magnum outperforms existing tools in xenobiotic-protein adduct discovery, while Limelight fulfills a major need in the rapidly developing field of open searching, which until now has had no comprehensive data visualization tools.
HostingRepositoryPanoramaPublic
AnnounceDate2022-02-21
AnnouncementXMLSubmission_2022-02-21_17:44:39.608.xml
DigitalObjectIdentifier
ReviewLevelPeer-reviewed dataset
DatasetOriginOriginal dataset
RepositorySupportsupported by repository but incomplete data and/or metadata
PrimarySubmitterAlex Zelter
SpeciesList scientific name: Rattus norvegicus; NCBI TaxID: 10116; scientific name: Homo sapiens; NCBI TaxID: 9606;
ModificationListCarbamidomethyl; Oxidation
InstrumentQ Exactive HF
Dataset History
RevisionDatetimeStatusChangeLog Entry
02021-03-22 20:20:35ID requested
12022-02-21 17:44:40announced
Publication List
Riffle M, Hoopmann MR, Jaschob D, Zhong G, Moritz RL, MacCoss MJ, Davis TN, Isoherranen N, Zelter A, Discovery and Visualization of Uncharacterized Drug-Protein Adducts Using Mass Spectrometry. Anal Chem, 94(8):3501-3509(2022) [pubmed]
Keyword List
submitter keyword: Raloxifene, CYP3A4, P450-Reductase, Open Search, Adduct, Magnum, Limelight, Reactive Metabolite
Contact List
Michael MacCoss
contact affiliationUniversity of Washington, Genome Sciences
contact emailmaccoss@uw.edu
lab head
Alex Zelter
contact affiliationUniversity of Washington, Biochemistry
contact emailazelter@uw.edu
dataset submitter
Full Dataset Link List
Panorama Public dataset URI