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Structure paper

TitleAdding a lysine mimic in the design of potent inhibitors of histone lysine methyltransferases.
Journal, issue, pagesJ. Mol. Biol., Vol. 400, Page 1-7, Year 2010
Publish dateApr 22, 2010 (structure data deposition date)
AuthorsChang, Y. / Ganesh, T. / Horton, J.R. / Spannhoff, A. / Liu, J. / Sun, A. / Zhang, X. / Bedford, M.T. / Shinkai, Y. / Snyder, J.P. / Cheng, X.
External linksJ. Mol. Biol. / PubMed:20434463
MethodsX-ray diffraction
Resolution2.14 - 2.78 Å
Structure data

PDB-3mo0:
Human G9a-like (GLP, also known as EHMT1) in complex with inhibitor E11
Method: X-RAY DIFFRACTION / Resolution: 2.78 Å

PDB-3mo2:
human G9a-like (GLP, also known as EHMT1) in complex with inhibitor E67
Method: X-RAY DIFFRACTION / Resolution: 2.49 Å

PDB-3mo5:
Human G9a-like (GLP, also known as EHMT1) in complex with inhibitor E72
Method: X-RAY DIFFRACTION / Resolution: 2.14 Å

Chemicals

ChemComp-SAH:
S-ADENOSYL-L-HOMOCYSTEINE

ChemComp-E11:
N~4~-(1-benzylpiperidin-4-yl)-N~2~-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-diamine

ChemComp-ZN:
Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-E67:
7-[(5-aminopentyl)oxy]-N~4~-(1-benzylpiperidin-4-yl)-N~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine

ChemComp-E72:
7-[(5-aminopentyl)oxy]-N~4~-[1-(5-aminopentyl)piperidin-4-yl]-N~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Epigenetics / Histone lysine methylation / enzymatic inhibition / lysine mimics

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