Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
G protein-coupled receptors
X-ray free-electron lasers
drug discovery
membrane proteins
molecular recognition
protein structure
serial femtosecond crystallography
structure determination
Journal
IUCrJ
ISSN: 2052-2525
Titre abrégé: IUCrJ
Pays: England
ID NLM: 101623101
Informations de publication
Date de publication:
01 Nov 2019
01 Nov 2019
Historique:
received:
13
07
2019
accepted:
23
09
2019
entrez:
12
11
2019
pubmed:
12
11
2019
medline:
12
11
2019
Statut:
epublish
Résumé
Rational structure-based drug design (SBDD) relies on the availability of a large number of co-crystal structures to map the ligand-binding pocket of the target protein and use this information for lead-compound optimization via an iterative process. While SBDD has proven successful for many drug-discovery projects, its application to G protein-coupled receptors (GPCRs) has been limited owing to extreme difficulties with their crystallization. Here, a method is presented for the rapid determination of multiple co-crystal structures for a target GPCR in complex with various ligands, taking advantage of the serial femtosecond crystallography approach, which obviates the need for large crystals and requires only submilligram quantities of purified protein. The method was applied to the human β
Identifiants
pubmed: 31709066
doi: 10.1107/S2052252519013137
pii: cw5024
pmc: PMC6830214
doi:
Types de publication
Journal Article
Langues
eng
Pagination
1106-1119Subventions
Organisme : Wellcome Trust
Pays : United Kingdom
Organisme : NIGMS NIH HHS
ID : R01 GM124152
Pays : United States
Organisme : NIDA NIH HHS
ID : R21 DA042298
Pays : United States
Organisme : NIGMS NIH HHS
ID : R35 GM127086
Pays : United States
Informations de copyright
© Andrii Ishchenko et al. 2019.
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