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. Author manuscript; available in PMC: 2013 Jan 1.
Published in final edited form as: Bioorg Med Chem. 2011 Nov 23;20(1):47–57. doi: 10.1016/j.bmc.2011.11.032

Figure 2.

Figure 2

Protein-ligand interaction and inhibitor design. (A, B) Optimized hydrogen bond interactions between HPPK and HP/ATP on the basis of the HPPK•MgAMPCPP•HP (PDB entry 1Q0N), HPPK•MgATP•HP-3 (1DY3), and HPPK•MgAMPCPP•HP-analogs (3IP0) structures. (C, D) New design of bisubstrate analog inhibitors of HPPK.