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TitleDiscovery of High-Affinity SMARCA2/4 Bromodomain Ligands and Development of Potent and Exceptionally Selective SMARCA2 PROTAC Degraders.
Journal, issue, pagesJ. Med. Chem., Vol. 68, Page 1113-1133, Year 2025
Publish dateAug 7, 2024 (structure data deposition date)
AuthorsLeng, L. / Tu, W. / Yang, L. / Huang, L. / Wang, M. / Meagher, J.L. / Chinnaswamy, K. / Allu, S.R. / Rej, R.K. / Tosovic, J. ...Leng, L. / Tu, W. / Yang, L. / Huang, L. / Wang, M. / Meagher, J.L. / Chinnaswamy, K. / Allu, S.R. / Rej, R.K. / Tosovic, J. / Harikrishnan, L. / Li, Z. / Sui, Z. / Stuckey, J.A. / Wang, S.
External linksJ. Med. Chem. / PubMed:39745064
MethodsX-ray diffraction
Resolution1.684 - 2.099 Å
Structure data

PDB-9d11:
Smarca2 Bromodomain in complex with compound 22
Method: X-RAY DIFFRACTION / Resolution: 1.684 Å

PDB-9d12:
Smarca2 Bromodomain in complex with compound 15
Method: X-RAY DIFFRACTION / Resolution: 2.099 Å

Chemicals

ChemComp-ZN:
Unknown entry

PDB-1a1o:
MHC CLASS I MOLECULE B*5301 COMPLEXED WITH PEPTIDE LS6 (KPIVQYDNF) FROM THE MALARIA PARASITE P. FALCIPARUM

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-ACT:
ACETATE ION

ChemComp-HOH:
WATER

PDB-1a1p:
COMPSTATIN, NMR, 21 STRUCTURES

Source
  • homo sapiens (human)
KeywordsGENE REGULATION / Smarca2 / BRM / SWI/SNF / bromodomain

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