2y1o

Dual-target Inhibitor of MurD and MurE Ligases: Design, Synthesis and Binding Mode Studies

spinqualitylabelsall models 2y1o, resolution 1.49Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 2y1o is a 1 chain structure with sequence from Escherichia coli DH5alpha. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 1.49Å Ligands: DMS, KCX, SO4, T26 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function MURD_ECOLI Cell wall formation. Catalyzes the addition of glutamate to the nucleotide precursor UDP-N-acetylmuramoyl-L-alanine (UMA).[HAMAP-Rule:MF_00639] Publication Abstract from PubMed MurD and MurE ligases, consecutive enzymes participating in the intracellular steps of bacterial peptidoglycan biosynthesis, are important targets for antibacterial drug discovery. We have designed, synthesized, and evaluated the first d-glutamic acid-containing dual inhibitor of MurD and MurE ligases from Escherichia coli and Staphylococcus aureus (IC50 values between 6.4 and 180 muM) possessing antibacterial activity against Gram-positive S. aureus and its methicillin-resistant strain (MRSA) with minimal inhibitory concentration (MIC) values of 8 mug/mL. The inhibitor was also found to be noncytotoxic for human HepG2 cells at concentrations below 200 muM. Dual Inhibitor of MurD and MurE Ligases from Escherichia coli and Staphylococcus aureus.,Tomasic T, Sink R, Zidar N, Fic A, Contreras-Martel C, Dessen A, Patin D, Blanot D, Muller-Premru M, Gobec S, Zega A, Kikelj D, Masic LP ACS Med Chem Lett. 2012 Jun 27;3(8):626-30. doi: 10.1021/ml300047h. eCollection, 2012 Aug 9. PMID:24900523 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Mur ligase

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