Designing small molecules to target cryptic pockets yields both positive and negative allosteric modulators.

Hart, Kathryn M; Moeder, Katelyn E; Ho, Chris M W; Zimmerman, Maxwell I; Frederick, Thomas E; Bowman, Gregory R

Hart, Kathryn M; Moeder, Katelyn E; Ho, Chris M W; Zimmerman, Maxwell I; Frederick, Thomas E; Bowman, Gregory R.

Afiliação

Hart KM; Department of Biochemistry & Molecular Biophysics, Washington University School of Medicine, St. Louis, Missouri, United States of America.
Moeder KE; Department of Biochemistry & Molecular Biophysics, Washington University School of Medicine, St. Louis, Missouri, United States of America.
Ho CMW; Department of Biochemistry & Molecular Biophysics, Washington University School of Medicine, St. Louis, Missouri, United States of America.
Zimmerman MI; Department of Biochemistry & Molecular Biophysics, Washington University School of Medicine, St. Louis, Missouri, United States of America.
Frederick TE; Department of Biochemistry & Molecular Biophysics, Washington University School of Medicine, St. Louis, Missouri, United States of America.
Bowman GR; Department of Biochemistry & Molecular Biophysics, Washington University School of Medicine, St. Louis, Missouri, United States of America.

PLoS One ; 12(6): e0178678, 2017.

Article em En | MEDLINE | ID: mdl-28570708

Assuntos

Proteínas/metabolismo; Bibliotecas de Moléculas Pequenas; Regulação Alostérica; Simulação de Acoplamento Molecular; Ligação Proteica; beta-Lactamases/metabolismo

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Proteínas / Bibliotecas de Moléculas Pequenas Tipo de estudo: Prognostic_studies Idioma: En Ano de publicação: 2017 Tipo de documento: Article

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