4HY1

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 4HY1

• Entry DOI: 10.2210/pdb4hy1/pdb
• Related: 4GEE 4GFN 4GGL 4HXZ 4HYM 4HYP
• Descriptor: Topoisomerase IV, subunit B, 6-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1H-isoindol-1-one (3 entities in total)
• Functional Keywords: atp-binding, nucleotide-binding, topoisomerase, atp-binding domain, isomerase-isomerase inhibitor complex, isomerase/isomerase inhibitor
• Biological source: Francisella tularensis subsp. holarctica
• Total number of polymer chains: 2
• Total formula weight: 88755.38

Authors

Bensen, D.C.,Creighton, C.J.,Kwan, B.,Tari, L.W. (deposition date: 2012-11-12, 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 (1.9 Å)