4GGL

Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity

Summary for 4GGL

• Entry DOI: 10.2210/pdb4ggl/pdb
• Related: 4GEE 4GFN 4HXW 4HXZ 4HY1 4HYM 4HYP 4HZ0 4HZ5
• Descriptor: DNA gyrase subunit B, 7-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)pyrido[2,3-b]pyrazin-2(1H)-one, GLYCEROL, ... (4 entities in total)
• Functional Keywords: atp-binding, nucleotide-binding, topoisomerase, atp-binding domain, dna gyrase negatively supercoils closed circular double-stranded dna in an atp-dependent manner and also catalyzes the interconversion of other topological isomers of double-stranded dna rings, isomerase-isomerase inhibitor complex, isomerase/isomerase inhibitor
• Biological source: Enterococcus faecalis
• Cellular location: Cytoplasm (By similarity): Q839Z1
• Total number of polymer chains: 1
• Total formula weight: 24370.63

Authors

Bensen, D.C.,Creighton, C.J.,Tari, L.W. (deposition date: 2012-08-06, release date: 2013-02-13, Last modification date: 2024-02-28)

• Primary citation: Tari, L.W.,Trzoss, M.,Bensen, D.C.,Li, X.,Chen, Z.,Lam, T.,Zhang, J.,Creighton, C.J.,Cunningham, M.L.,Kwan, B.,Stidham, M.,Shaw, K.J.,Lightstone, F.C.,Wong, S.E.,Nguyen, T.B.,Nix, J.,Finn, J.; Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.; Bioorg.Med.Chem.Lett., 23:1529-1536, 2013; PubMed: 23352267; DOI: 10.1016/j.bmcl.2012.11.032

Experimental method

X-RAY DIFFRACTION (1.69 Å)