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
em 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.
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Desenho de Fármacos
/
Cristalografia por Raios X
/
Inibidores Enzimáticos
Limite:
Humans
Idioma:
En
Revista:
Acta Crystallogr Sect F Struct Biol Cryst Commun
Ano de publicação:
2012
Tipo de documento:
Article