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site was defined as the region of the complex containing the
compound and the amino acids having at least one atom closer
than 6 Å to any atom of the compound. The optimization was
performed using the CVFF force-field29 in Discover (InsightII)
using the conjugate gradient approach until the largest
derivative was smaller than 0.01. After the refinement, the
resulting structures were superimposed, and the superposition
of the bis-THF parts of the closest analogues is presented in
Figures 4 and 5. These figures have been generated using DS
ViewerPro 5.0 (Accelrys Inc).
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Acknowledgment. M.P., N.M.K., and C.A.S. were
supported by the National Institutes of Health P01-
GM66524 and Tibotec/COSAT.
Supporting Information Available: Experimental de-
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