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Structures of CTX-M9:drug complexes. The overlaid structures of CTX-M9 acylated to meropenem (brown online) and cefotaxime (violet online) are rendered in panel (A) with a close-up of the drug-binding pocket in panel (B). Protein is rendered in cartoon form and drug in sticks. These structures were used for MD simulations that served as the basis for positional mutual information calculations (Color version of this figure is available at Bioinformatics online.)
