6tsh

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Beta-galactosidase in complex with deoxygalacto-nojirimycin

Structural highlights

6tsh is a 4 chain structure with sequence from Escherichia coli. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:Electron Microscopy, Resolution 2.3Å
Experimental data:Check to display Experimental Data
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

BGAL_ECOLI

Publication Abstract from PubMed

Recent advances in cryo-electron microscopy (EM) structure determination have pushed the resolutions obtainable by the method into the range widely considered to be of utility for drug discovery. Here, we review the use of cryo-EM in fragment-based drug discovery (FBDD) based on in-house method development. We demonstrate not only that cryo-EM can reveal details of the molecular interactions between fragments and a protein, but also that the current reproducibility, quality, and throughput are compatible with FBDD. We exemplify this using the test system beta-galactosidase (Bgal) and the oncology target pyruvate kinase 2 (PKM2).

Fragment-based drug discovery using cryo-EM.,Saur M, Hartshorn MJ, Dong J, Reeks J, Bunkoczi G, Jhoti H, Williams PA Drug Discov Today. 2019 Dec 23. pii: S1359-6446(19)30465-9. doi:, 10.1016/j.drudis.2019.12.006. PMID:31877353[1]

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

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See Also

References

  1. ↑ Saur M, Hartshorn MJ, Dong J, Reeks J, Bunkoczi G, Jhoti H, Williams PA. Fragment-based drug discovery using cryo-EM. Drug Discov Today. 2019 Dec 23. pii: S1359-6446(19)30465-9. doi:, 10.1016/j.drudis.2019.12.006. PMID:31877353 doi:http://dx.doi.org/10.1016/j.drudis.2019.12.006

Contents


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6tsh, resolution 2.30Å

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