New monoclinical crystal of 2C-methyl-D-erythritol-4-phosphate synthase, useful in rational design of specific inhibitors, potentially useful as antimalarial, antibiotic and herbicidal agents

摘要

A monoclinic crystal (A) that contains the protein 2C-methyl-D-erythritol-4-phosphate synthase (I) is new. Independent claims are also included for: (1) a data-storage device that contains the atomic coordinates of the three-dimensional structure of (I) as a complex (C) with an inhibitor (II) of (I) and optionally also a divalent metal ion; (2) method for growing a crystal that contains (I) and optionally metal ions; (3) several methods for identifying potential inhibitors (X) of (I); and (4) (X) identified by the methods of (3). ACTIVITY : Protozoacide; Antibacterial; Herbicide. No biological data given. MECHANISM OF ACTION : Inhibition of 2C-methyl-D-erythritol-4-phosphate synthase.