Cocrystal structure of 8a with CLK3 (PDB-ID: 6FT7); red spheres: water molecules; EG: Ethylene glycol; black dashed lines: hydrogen bonds.
- Anne Walter (538010)
- Apirat Chaikuad (244322)
- Renate Helmer (5172323)
- Nadège Loaëc (5172326)
- Lutz Preu (1356114)
- Ingo Ott (1455256)
- Stefan Knapp (244328)
- Laurent Meijer (243859)
- Conrad Kunick (526560)
Publication date
May 2018
DOIAbstract
<p>A: The lactam motif of the ligand forms the canonical hydrogen bonds to the amino acids gk+1 (Glu237) and gk+3 (Leu239); the indole nitrogen is connected to the amino acid gk+4 (Gly240). B: Side view. An ethylene glycol molecule fills a space at the back of the pocket near the αC-helix which is left unoccupied by <b>8a</b>.</p
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