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To gain new insights into G-quadruplex-drug interactions, we captured the solution-state structures of the complexes between a drug-like small molecule and a G-hairpin/G-triplex. Our results indicated that the ligand initially binds to the intermediates and induces stepwise folding into a quadruplex.

Small molecule binding to a G-hairpin and a G-triplex: a new insight into anticancer drug design targeting G-rich regions