Figure 2.
FIGURE 2. Crystal structure of PTP1B/1. a, superposition of
the bound conformations of the phosphonate mimetics of compounds
1, 5, and 1G7G. Note the IZD heterocycle of 1 mimics the
interactions of DFMP and CMBA, and it displaces four waters. b,
stereo view of the 2F[o] - F[c] simulated annealed omit map
(contoured at 1 ) and atomic model for
PTP1B/1. The inhibitor was omitted from the model prior to a
cycle of simulated annealing and was not used in the calculation
of phases. c, stereo view of 1 (ball-and-stick) bound in the A
site. Dashed lines indicate 10 potential hydrogen bonds between
the inhibitor and residues in the active site.
) and atomic model for
PTP1B/1. The inhibitor was omitted from the model prior to a
cycle of simulated annealing and was not used in the calculation
of phases. c, stereo view of 1 (ball-and-stick) bound in the A
site. Dashed lines indicate 10 potential hydrogen bonds between
the inhibitor and residues in the active site.