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PDBsum entry 5d7c
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Isomerase/isomerase inhibitor
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PDB id
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5d7c
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PDB id:
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| Name: |
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Isomerase/isomerase inhibitor
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Title:
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Crystal structure of the atp binding domain of s. Aureus gyrb complexed with a ligand
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Structure:
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DNA gyrase subunit b. Chain: a, b. Fragment: atp binding domain, unp residues 2-234 (delta 105-127). Engineered: yes
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Source:
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Staphylococcus aureus. Organism_taxid: 1280. Gene: gyrb. Expressed in: escherichia coli. Expression_system_taxid: 469008.
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Resolution:
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1.55Å
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R-factor:
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0.173
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R-free:
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0.199
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Authors:
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J.Zhang,Q.Yang,J.B.Cross,J.A.C.Romero,M.D.Ryan,B.Lippa,R.E.Dolle, O.A.Andersen,J.Barker,R.K.Cheng,J.Kahmann,B.Felicetti,M.Wood, C.Scheich
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Key ref:
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J.Zhang
et al.
(2015).
Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors.
J Med Chem,
58,
8503-8512.
PubMed id:
DOI:
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Date:
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13-Aug-15
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Release date:
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25-Nov-15
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PROCHECK
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Headers
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References
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P0A0K8
(GYRB_STAAU) -
DNA gyrase subunit B from Staphylococcus aureus
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Seq:
Struc:
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644 a.a.
192 a.a.
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Key: |
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PfamA domain |
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Secondary structure |
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CATH domain |
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Enzyme class:
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E.C.5.6.2.2
- Dna topoisomerase (ATP-hydrolyzing).
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DOI no:
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J Med Chem
58:8503-8512
(2015)
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PubMed id:
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Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors.
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J.Zhang,
Q.Yang,
J.B.Cross,
J.A.Romero,
K.M.Poutsiaka,
F.Epie,
D.Bevan,
B.Wang,
Y.Zhang,
A.Chavan,
X.Zhang,
T.Moy,
A.Daniel,
K.Nguyen,
B.Chamberlain,
N.Carter,
J.Shotwell,
J.Silverman,
C.A.Metcalf,
D.Ryan,
B.Lippa,
R.E.Dolle.
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ABSTRACT
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The emergence and spread of multidrug resistant bacteria are widely believed to
endanger human health. New drug targets and lead compounds exempt from
cross-resistance with existing drugs are urgently needed. We report on the
discovery of azaindole ureas as a novel class of bacterial gyrase B inhibitors
and detail the story of their evolution from a de novo design hit based on
structure-based drug design. These inhibitors show potent minimum inhibitory
concentrations against fluoroquinolone resistant MRSA and other Gram-positive
bacteria.
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