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ZENODO
Dataset . 2025
License: CC BY
Data sources: ZENODO
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ZENODO
Dataset . 2025
License: CC BY
Data sources: ZENODO
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
ZENODO
Dataset . 2025
License: CC BY
Data sources: ZENODO
ZENODO
Dataset . 2025
License: CC BY
Data sources: Datacite
ZENODO
Dataset . 2025
License: CC BY
Data sources: Datacite
ZENODO
Dataset . 2025
License: CC BY
Data sources: Datacite
ZENODO
Dataset . 2025
License: CC BY
Data sources: Datacite
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PROTAC-8K

Authors: Liu, Jie;
Abstract

To evaluate the performance of the proposed DegradeMaster and baseline methods, we collected data from the PROTAC-DB 3.0 database. The latest release of PROTAC-DB 3.0 comprises 9,380 PROTAC entries, including 569 warheads, 107 E3 ligands, and 5,753 linkers. Each entry includes detailed information such as the PROTAC's SMILES representation, and UniProt ID of the POI and the E3 ligase. We first removed entries that lack critical information, e.g., the UniProt ID of the POI or E3 ligase. For degradation labels, we utilized both explicit DC50/Dmax values and implicit values inferred from experimental descriptions to predict PROTAC degradation activity. A PROTAC is considered to have low degradation activity if DC50 is greater than or equal to 100 nM and Dmax is below 80%, otherwise, it is labeled with high degradation activity. Crystal structures of POIs and E3 ligases are sourced from the Protein Data Bank (PDB), while proteins without available crystal structures are supplemented with predicted structures generated by AlphaFold 2. We apply Smina to dock the warhead and E3 ligand to POI and E3 ligase, respectively. Using these criteria, we constructed a supervised PROTAC dataset consisting of 620 high-activity entries and 1,011 low-activity entries. Additionally, we curated a semi-supervised PROTAC dataset containing 8,603 entries in total, incorporating the same labeled subset as the supervised dataset.

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Keywords

Proteolysis targeting chimeras

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    influence
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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average