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TitlePotent and selective SETDB1 covalent negative allosteric modulator reduces methyltransferase activity in cells.
Journal, issue, pagesNat Commun, Vol. 16, Page 1905-1905, Year 2025
Publish dateJul 26, 2024 (structure data deposition date)
AuthorsUguen, M. / Shell, D.J. / Silva, M. / Deng, Y. / Li, F. / Szewczyk, M.M. / Yang, K. / Zhao, Y. / Stashko, M.A. / Norris-Drouin, J.L. ...Uguen, M. / Shell, D.J. / Silva, M. / Deng, Y. / Li, F. / Szewczyk, M.M. / Yang, K. / Zhao, Y. / Stashko, M.A. / Norris-Drouin, J.L. / Waybright, J.M. / Beldar, S. / Rectenwald, J.M. / Mordant, A.L. / Webb, T.S. / Herring, L.E. / Arrowsmith, C.H. / Ackloo, S. / Gygi, S.P. / McGinty, R.K. / Barsyte-Lovejoy, D. / Liu, P. / Halabelian, L. / James, L.I. / Pearce, K.H. / Frye, S.V.
External linksNat Commun / PubMed:39994194
MethodsX-ray diffraction
Resolution1.27 - 1.53 Å
Structure data

PDB-9cuw:
Crystal Structure of SETDB1 Tudor domain in complex with UNC100013
Method: X-RAY DIFFRACTION / Resolution: 1.53 Å

PDB-9cux:
Crystal Structure of SETDB1 Tudor domain in complex with UNC100016
Method: X-RAY DIFFRACTION / Resolution: 1.27 Å

Chemicals

PDB-1az6:
THREE-DIMENSIONAL STRUCTURES OF THREE ENGINEERED CELLULOSE-BINDING DOMAINS OF CELLOBIOHYDROLASE I FROM TRICHODERMA REESEI, NMR, 23 STRUCTURES

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-UNX:
Unknown entry

ChemComp-HOH:
WATER

PDB-1az5:
UNLIGANDED SIV PROTEASE STRUCTURE IN AN "OPEN" CONFORMATION

ChemComp-SO4:
SULFATE ION

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Tudor domain / SETDB1 / SGC

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