On-column ligand exchange for structure-based drug design: a case study with human 11ß-hydroxysteroid dehydrogenase type 1.
Acta Crystallogr Sect F Struct Biol Cryst Commun
; 68(Pt 5): 601-5, 2012 May 01.
Article
in En
| MEDLINE
| ID: mdl-22691797
ABSTRACT
Successfully forming ligand-protein complexes with specific compounds can be a significant challenge in supporting structure-based drug design for a given protein target. In this respect, an on-column ligand- and detergent-exchange method was developed to obtain ligand-protein complexes of an adamantane series of compounds with 11ß-hydroxysteroid dehydrogenase type 1 (11ß-HSD1) after a variety of other complexation methods had failed. This report describes the on-column exchange method and an unexpected byproduct of the method in which artificial trimers were observed in the structures.
Full text:
1
Collection:
01-internacional
Database:
MEDLINE
Main subject:
Drug Design
/
Crystallography, X-Ray
/
Enzyme Inhibitors
Limits:
Humans
Language:
En
Journal:
Acta Crystallogr Sect F Struct Biol Cryst Commun
Year:
2012
Document type:
Article
Affiliation country:
Estados Unidos