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TitleDiscovery of Small-Molecule Ligands for the E3 Ligase STUB1/CHIP from a DNA-Encoded Library Screen.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 16, Page 1445-1451, Year 2025
Publish dateMar 11, 2025 (structure data deposition date)
AuthorsLucas, S.C.C. / Milbradt, A.G. / Breed, J. / De Genst, E. / Jackson, A. / Solovyeva, A. / Ackroyd, B. / Bauer, M.R. / Liu, J. / Longmire, D. ...Lucas, S.C.C. / Milbradt, A.G. / Breed, J. / De Genst, E. / Jackson, A. / Solovyeva, A. / Ackroyd, B. / Bauer, M.R. / Liu, J. / Longmire, D. / Petrovic, D. / Rivers, E.L. / Stubbs, C. / Winlow, P. / Bazzaz, S. / Dickson, P. / Gikunju, D. / Guie, M.A. / Guilinger, J.P. / Hupp, C.D. / Jetson, R. / Keefe, A.D. / Nugai, K. / Yeoman, J.T.S. / Zhang, Y. / Feng, X. / Yu, D. / Phillips, C.
External linksAcs Med. Chem. Lett. / PubMed:40832528
MethodsX-ray diffraction
Resolution1.064 - 1.511 Å
Structure data

PDB-9qeu:
Structure of CHIP E3 ubiquitin ligase TPR domain in complex with compound 1
Method: X-RAY DIFFRACTION / Resolution: 1.353 Å

PDB-9qf1:
Structure of CHIP E3 ubiquitin ligase TPR domain in complex with compound 2
Method: X-RAY DIFFRACTION / Resolution: 1.511 Å

PDB-9qfs:
Structure of CHIP E3 ubiquitin ligase TPR domain in complex with compound 8.
Method: X-RAY DIFFRACTION / Resolution: 1.329 Å

PDB-9qfy:
Structure of CHIP E3 ubiquitin ligase TPR domain in complex with compound 9.
Method: X-RAY DIFFRACTION / Resolution: 1.064 Å

Chemicals

PDB-1i6k:
1.7 HIGH RESOLUTION EXPERIMENTAL PHASES FOR TRYPTOPHANYL-TRNA SYNTHETASE COMPLEXED WITH TRYPTOPHANYL-5'AMP

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

PDB-1i5t:
SOLUTION STRUCTURE OF CYANOFERRICYTOCHROME C

PDB-1i6j:
CRYSTAL STRUCTURE OF A PSEUDO-16-MER DNA WITH STACKED GUANINES AND TWO G-A MISPAIRS COMPLEXED WITH THE N-TERMINAL FRAGMENT OF MOLONEY MURINE LEUKEMIA VIRUS REVERSE TRANSCRIPTASE

ChemComp-EDO:
1,2-ETHANEDIOL

PDB-1i6i:
CRYSTAL STRUCTURE OF THE KIF1A MOTOR DOMAIN COMPLEXED WITH MG-AMPPCP

Source
  • homo sapiens (human)
KeywordsLIGASE / E3 ligase / E3 ubiquitin ligase

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