2Y1O

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

Summary for 2Y1O

Entry DOI	10.2210/pdb2y1o/pdb
Related	1E0D 1EEH 1UAG 2JFF 2JFG 2JFH 2UAG 2UUO 2UUP 2VTD 2VTE 2WJP 2X5O 3UAG 4UAG
Descriptor	UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE, (2R)-2-[[3-[[4-[(Z)-(4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]PHENYL]METHYLAMINO]PHENYL]CARBONYLAMINO]PENTANEDIOIC ACID, DIMETHYL SULFOXIDE, ... (5 entities in total)
Functional Keywords	ligase, cell cycle, cell division, cell shape, cell wall biogenesis/degradation
Biological source	ESCHERICHIA COLI
Cellular location	Cytoplasm: P14900
Total number of polymer chains	1
Total formula weight	49175.74
Authors	Tomasic, T.,Sink, R.,Kovac, A.,Turk, S.,Contreras-Martel, C.,Dessen, A.,Blanot, D.,Gobec, S.,Zega, A.,Kikelj, D.,Peterlin-Masic, L. (deposition date: 2010-12-09, release date: 2011-12-28, Last modification date: 2023-12-20)
Primary citation	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, L.P. Dual Inhibitor of MurD and MurE Ligases from Escherichia coli and Staphylococcus aureus. ACS Med Chem Lett, 3:626-630, 2012 Cited by PubMed: 24900523 DOI: 10.1021/ml300047h PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.49 Å)

Structure validation