4wej | pdb_00004wej

Crystal structure of Pseudomonas aeruginosa PBP3 with a R4 substituted allyl monocarbam

spinqualitylabelsall models 4wej, resolution 2.04Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 4wej is a 1 chain structure. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: 3LB Related: 4wek, 4wel Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Publication Abstract from PubMed A main challenge in the development of new agents for the treatment of Pseudomonas aeruginosa infections is the identification of chemotypes that efficiently penetrate the cell envelope and are not susceptible to established resistance mechanisms. Siderophore-conjugated monocarbams are attractive because of their ability to hijack the bacteria's iron uptake machinery for transport into the periplasm and their inherent stability to metallo-beta-lactamases. Through development of the SAR we identified a number of modifications to the scaffold that afforded active anti-P. aeruginosa agents with good physicochemical properties. Through crystallographic efforts we gained a better understanding into how these compounds bind to the target penicillin binding protein PBP3 and factors to consider for future design. SAR and Structural Analysis of Siderophore-Conjugated Monocarbam Inhibitors of Pseudomonas aeruginosa PBP3.,Murphy-Benenato KE, Dangel B, Davis HE, Durand-Reville TF, Ferguson AD, Gao N, Jahic H, Mueller JP, Manyak EL, Quiroga O, Rooney M, Sha L, Sylvester M, Wu F, Zambrowski M, Zhao SX ACS Med Chem Lett. 2015 Mar 22;6(5):537-42. doi: 10.1021/acsmedchemlett.5b00026. , eCollection 2015 May 14. PMID:26005529 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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