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Interactions between predicted PROTACs and the CRBN-target protein complex structures.
Abstract
(a) Ligand-target Interactions between CRBN and its crystallized ligand LVY in 4TZ4. (b) 2D Ligand-target Interactions between CRBN and its crystallized ligand LVY in 4TZ4. C represents the PDB chain ID for CRBN. (c) Ligand-target interactions between PROTAC3269 and the complex structure of P12757 and CRBN. (d) 2D Ligand-target interactions between PROTAC3269 and the complex structure of P12757 and CRBN. A represents the chain ID for the target protein. B represents the chain ID for CRBN. (e) Ligand-target interactions between PROTAC3055 and the complex structure of Q9UER7 and CRBN. (f) 2D Ligand-target interactions between PROTAC3055 and the complex structure of Q9UER7 and CRBN. C represents the chain ID for the target protein. B represents the chain ID for CRBN. (g) Ligand-target interactions between PROTAC2145 and the complex structure of Q9H1I8 and CRBN. (h) 2D Ligand-target interactions between PROTAC2145 and the complex structure of Q9H1I8 and CRBN. A represents the chain ID for the target protein. B represents the chain ID for CRBN. Cyan and green sticks represent interacting residues on CRBN and the target protein, respectively. Yellow balls and sticks represent the ligand structures. Color representations for the interaction types are shown in figure legend.</p- Image
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- Biochemistry
- Genetics
- Molecular Biology
- Biotechnology
- Cancer
- Biological Sciences not elsewhere classified
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- xlink "> proteolysis
- random forest classification
- play critical roles
- identify key residues
- false positive rate
- different structural folds
- alzheimer &# 8217
- external test set
- entire human genome
- proposed protac compounds
- method allowed us
- identified key residues
- preprotac predicts genome
- training set
- wide targets
- using preprotac
- targeting chimeras
- small molecules
- silico mutagenesis
- remains unclear
- related genes
- protein structure
- protac activity
- promising therapy
- preprotac achieved
- potentially degradable
- original features
- incurable diseases
- inactivate disease
- experimentally tested
- existing knowledge
- embedding space
- e3 ligases
- e3 ligase
- drop significantly
- considered undruggable
- bifunctional molecules
- benchmark studies
- average precision