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. Author manuscript; available in PMC: 2012 Jun 27.
Published in final edited form as: J Chem Inf Model. 2011 May 13;51(6):1393–1404. doi: 10.1021/ci200077t

Figure 6.

Figure 6

(A) Eribulin binding site in β-tubulin. β-tubulin structure and the CPK structures of eribulin and GDP are shown as described in the Figure 5 legend. (B and C) Crucial eribulin interactions at the binding site. Panel C also shows new intra-β-tubulin hydrogen bonds (orange dashed lines) introduced by refolding the protein over the macrocycle.