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TitlePROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models.
Journal, issue, pagesJ. Med. Chem., Vol. 67, Page 1262-1313, Year 2024
Publish dateSep 13, 2023 (structure data deposition date)
AuthorsBerlin, M. / Cantley, J. / Bookbinder, M. / Bortolon, E. / Broccatelli, F. / Cadelina, G. / Chan, E.W. / Chen, H. / Chen, X. / Cheng, Y. ...Berlin, M. / Cantley, J. / Bookbinder, M. / Bortolon, E. / Broccatelli, F. / Cadelina, G. / Chan, E.W. / Chen, H. / Chen, X. / Cheng, Y. / Cheung, T.K. / Davenport, K. / DiNicola, D. / Gordon, D. / Hamman, B.D. / Harbin, A. / Haskell, R. / He, M. / Hole, A.J. / Januario, T. / Kerry, P.S. / Koenig, S.G. / Li, L. / Merchant, M. / Perez-Dorado, I. / Pizzano, J. / Quinn, C. / Rose, C.M. / Rousseau, E. / Soto, L. / Staben, L.R. / Sun, H. / Tian, Q. / Wang, J. / Wang, W. / Ye, C.S. / Ye, X. / Zhang, P. / Zhou, Y. / Yauch, R. / Dragovich, P.S.
External linksJ. Med. Chem. / PubMed:38180485
MethodsX-ray diffraction
Resolution2.568 - 3.191 Å
Structure data

PDB-8qjr:
BRG1 bromodomain in complex with VBC via compound 17
Method: X-RAY DIFFRACTION / Resolution: 3.17 Å

PDB-8qjs:
VHL/Elongin B/Elongin C complex with compound 155
Method: X-RAY DIFFRACTION / Resolution: 3.191 Å

PDB-8qjt:
BRM (SMARCA2) Bromodomain in complex with ligand 10
Method: X-RAY DIFFRACTION / Resolution: 2.568 Å

Chemicals

ChemComp-PO4:
PHOSPHATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-VLH:
(2S,4R)-1-[(2R)-2-[3-[2-[4-[3-[4-[(1R,5S)-3-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxycyclobutyl]oxypiperidin-1-yl]ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-VL6:
(2S,4R)-1-[(2R)-2-[3-[2-(2-methoxyethoxy)ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide

ChemComp-ZN:
Unknown entry

ChemComp-VLC:
2-[6-azanyl-5-[(1R,5S)-8-[2-(2-methoxyethoxy)pyridin-4-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol

Source
  • homo sapiens (human)
KeywordsGENE REGULATION / BRG1 / BROMODOMAIN / VHL / ELONGIN / VBC / E3 LIGASE / VON HIPPEL-LINDAU / UBIQUITINASE / LIGASE / BRM / SMARCA2 / SWI/SNF / CHROMATIN REMODELLING

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