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. Author manuscript; available in PMC: 2019 Nov 9.
Published in final edited form as: J Med Chem. 2018 Jun 29;61(13):5623–5642. doi: 10.1021/acs.jmedchem.8b00375

Figure 4.

Figure 4.

X-ray co-crystal structure of fragment F-1 bound to WDR5 (PDB: 6D9X) and the reference MLL1 peptide bound to WDR5 (PDB: 3EG6) showing respective unoccupied and occupied pockets: A) F-1 left panel top view surface depiction; B) right panel top view MLL1 peptide surface depiction (only Ac-ARA-NH2 residues shown, yellow capped sticks); C) F-1 lower left panel, key residues and hydrogen bonding within S2 pocket (orange capped sticks); D) lower right panel MLL1 peptide (only Ac-ARA-NH2 shown) key residues and hydrogen bonding within S2 pocket (blue capped sticks).