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Structure paper

TitleDiscovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase.
Journal, issue, pagesJ. Med. Chem., Vol. 60, Page 1876-1891, Year 2017
Publish dateNov 3, 2016 (structure data deposition date)
AuthorsXiong, Y. / Li, F. / Babault, N. / Dong, A. / Zeng, H. / Wu, H. / Chen, X. / Arrowsmith, C.H. / Brown, P.J. / Liu, J. ...Xiong, Y. / Li, F. / Babault, N. / Dong, A. / Zeng, H. / Wu, H. / Chen, X. / Arrowsmith, C.H. / Brown, P.J. / Liu, J. / Vedadi, M. / Jin, J.
External linksJ. Med. Chem. / PubMed:28135087
MethodsX-ray diffraction
Resolution1.66 - 2.6 Å
Structure data

PDB-5ttf:
Crystal structure of catalytic domain of G9a with MS012
Method: X-RAY DIFFRACTION / Resolution: 1.72 Å

PDB-5ttg:
Crystal structure of catalytic domain of GLP with MS012
Method: X-RAY DIFFRACTION / Resolution: 1.66 Å

PDB-5tuy:
Structure of human G9a SET-domain (EHMT2) in complex with inhibitor MS0124
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-5tuz:
Structure of human GLP SET-domain (EHMT1) in complex with inhibitor MS0124
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-SAM:
S-ADENOSYLMETHIONINE

ChemComp-7KZ:
N4-(1-methylpiperidin-4-yl)-N2-hexyl-6,7-dimethoxyquinazoline-2,4-diamine

ChemComp-CL:
Unknown entry

ChemComp-UNX:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-GOL:
GLYCEROL

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

ChemComp-7L6:
6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(morpholin-4-yl)quinazolin-4-amine

ChemComp-EDO:
1,2-ETHANEDIOL

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / EHMT2 / G9a / BAT8 / methyltransferase / UNC3832 / Structural Genomics / Structural Genomics Consortium / SGC / EHMT1 / GLP / MS012 / TRANSFERASE/TRANSFERASE INHIBITOR / Methyl-TRANSFERASE INHIBITOR complex / TRANSFERASE-TRANSFERASE INHIBITOR complex / Methyl Transferase

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