6uqt

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Serendipitous Discovery of Aryl Boronic Acids as beta-Lactamase Inhibitors

Structural highlights

6uqt is a 1 chain structure with sequence from Pseudomonas aeruginosa. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 1.25Å
Ligands:CL, QFS
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

AMPC_PSEAE

Publication Abstract from PubMed

High throughput screening for beta-lactamase inhibitors afforded biphenyl hits such as 1. Hit confirmation and X-ray soaking experiments with Pseudomonas Aeruginosa AmpC enzyme led to the identification of an aryl boronic acid-serine complex 4, which was formed from phenyl boronic acid 8 (an impurity in compound 1) and ethylene glycol (the cryoprotectant in the soaking experiment).

Serendipitous discovery of aryl boronic acids as beta-lactamase inhibitors.,Yang SW, Pan J, Root Y, Scapin G, Xiao L, Su J Bioorg Med Chem Lett. 2019 Nov 9:126795. doi: 10.1016/j.bmcl.2019.126795. PMID:31759850[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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Citations
2 reviews cite this structure
Boronic Acids and Their Derivatives in Medicinal Chemistry: Synthesis and Biological Applications.
Silva et al. (2020)
1 more
0 other articles
No citations found

See Also

References

  1. ↑ Yang SW, Pan J, Root Y, Scapin G, Xiao L, Su J. Serendipitous discovery of aryl boronic acids as beta-lactamase inhibitors. Bioorg Med Chem Lett. 2019 Nov 9:126795. doi: 10.1016/j.bmcl.2019.126795. PMID:31759850 doi:http://dx.doi.org/10.1016/j.bmcl.2019.126795

Contents


PDB ID 6uqt

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OCA

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