Brand  (β version)

PDB ID: 4HYM

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Ligands
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CJC 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 PoSSuM
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Structure summary

Code : 4HYM   PDBj   RCSB PDB   PDBe
Header : Isomerase/Isomerase inhibitor
Title : 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.
Release Data : 2013-02-13
Compound :
mol_id molecule chains
1 Topoisomerase IV, subunit B A,B
ec: 5.99.1.3
Source :
mol_id organism_scientific expression_system
1 Francisella tularensis subsp. holarctica LVS  (taxid:376619) Escherichia coli  (taxid:562)
strain: LVS
gene: FTL_1726
Authors : Bensen, D.C., Creighton, C.J., Kwan, B., Tari, L.W.
Keywords : ATP-binding, Nucleotide-binding, Topoisomerase, ATP-binding domain, Isomerase-Isomerase inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 1.90 Å )
Citation :

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.

Tari, L.W.,Trzoss, M.,Bensen, D.C.  et al.
(2013)  Bioorg.Med.Chem.Lett.  23 : 1529 - 1536

PubMed: 23352267
DOI: 10.1016/j.bmcl.2012.11.032

Reaction

Chain : A, B
UniProt : Q2A1P5
Reaction : -