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TitleIdentification and characterization of the first fragment hits for SETDB1 Tudor domain.
Journal, issue, pagesBioorg. Med. Chem., Vol. 27, Page 3866-3878, Year 2019
Publish dateAug 30, 2017 (structure data deposition date)
AuthorsMader, P. / Mendoza-Sanchez, R. / Iqbal, A. / Dong, A. / Dobrovetsky, E. / Corless, V.B. / Liew, S.K. / Houliston, S.R. / De Freitas, R.F. / Smil, D. ...Mader, P. / Mendoza-Sanchez, R. / Iqbal, A. / Dong, A. / Dobrovetsky, E. / Corless, V.B. / Liew, S.K. / Houliston, S.R. / De Freitas, R.F. / Smil, D. / Sena, C.C.D. / Kennedy, S. / Diaz, D.B. / Wu, H. / Dombrovski, L. / Allali-Hassani, A. / Min, J. / Schapira, M. / Vedadi, M. / Brown, P.J. / Santhakumar, V. / Yudin, A.K. / Arrowsmith, C.H.
External linksBioorg. Med. Chem. / PubMed:31327677
MethodsX-ray diffraction
Resolution1.63 Å
Structure data

PDB-6au2:
Crystal structure of SETDB1 Tudor domain with aryl triazole fragments
Method: X-RAY DIFFRACTION / Resolution: 1.63 Å

Chemicals

ChemComp-CGJ:
1-methyl-4H,6H-[1,2,4]triazolo[4,3-a][4,1]benzoxazepine

ChemComp-BME:
BETA-MERCAPTOETHANOL

ChemComp-SO4:
SULFATE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-UNX:
Unknown entry

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / SETDB1 Tudor / fragment hits / epigenetics / methyllysine reader / Structural Genomics / Structural Genomics Consortium / SGC

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