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Structure paper

TitleSETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy
Journal, issue, pagesTo Be Published
Publish dateJun 6, 2016 (structure data deposition date)
AuthorsTempel, W. / Harding, R.J. / Mader, P. / Dobrovetsky, E. / Walker, J.R. / Brown, P.J. / Schapira, M. / Arrowsmith, C.H. / Edwards, A.M. / Santhakumar, S. / Structural Genomics Consortium (SGC)
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.47 - 1.7 Å
Structure data

PDB-5kch:
SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy into weak electron density
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-5kco:
SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy
Method: X-RAY DIFFRACTION / Resolution: 1.47 Å

Chemicals

ChemComp-UNX:
Unknown entry

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-SO4:
SULFATE ION

ChemComp-6RN:
4-methoxy-N-[(pyridin-2-yl)methyl]aniline

ChemComp-HOH:
WATER

ChemComp-6RO:
~{N}-(4-chlorophenyl)methanesulfonamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Fragment Screening / DIAMOND I04-1 XCHEM / PANDDA / Structural Genomics / Structural Genomics Consortium / SGC

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