A combination of solid-state NMR and MD simulations reveals the binding mode of a rhomboid protease inhibitor.

Bohg, Claudia; Öster, Carl; Utesch, Tillmann; Bischoff, Susanne; Lange, Sascha; Shi, Chaowei; Sun, Han; Lange, Adam

Bohg, Claudia; Öster, Carl; Utesch, Tillmann; Bischoff, Susanne; Lange, Sascha; Shi, Chaowei; Sun, Han; Lange, Adam.

Afiliação

Bohg C; Department of Molecular Biophysics, Leibniz-Forschungsinstitut für Molekulare Pharmakologie (FMP) Robert-Rössle-Straße 10 13125 Berlin Germany alange@fmp-berlin.de.
Öster C; Department of Molecular Biophysics, Leibniz-Forschungsinstitut für Molekulare Pharmakologie (FMP) Robert-Rössle-Straße 10 13125 Berlin Germany alange@fmp-berlin.de.
Utesch T; Structural Chemistry and Computational Biophysics Group, Leibniz-Forschungsinstitut für Molekulare Pharmakologie (FMP) Robert-Rössle-Straße 10 13125 Berlin Germany hsun@fmp-berlin.de.
Bischoff S; Department of Molecular Biophysics, Leibniz-Forschungsinstitut für Molekulare Pharmakologie (FMP) Robert-Rössle-Straße 10 13125 Berlin Germany alange@fmp-berlin.de.
Lange S; Department of Molecular Biophysics, Leibniz-Forschungsinstitut für Molekulare Pharmakologie (FMP) Robert-Rössle-Straße 10 13125 Berlin Germany alange@fmp-berlin.de.
Shi C; Department of Molecular Biophysics, Leibniz-Forschungsinstitut für Molekulare Pharmakologie (FMP) Robert-Rössle-Straße 10 13125 Berlin Germany alange@fmp-berlin.de.
Sun H; Hefei National Laboratory for Physical Sciences at the Microscale, School of Life Sciences, University of Science and Technology of China Huangshan Road 443 Hefei 230027 People's Republic of China.
Lange A; Structural Chemistry and Computational Biophysics Group, Leibniz-Forschungsinstitut für Molekulare Pharmakologie (FMP) Robert-Rössle-Straße 10 13125 Berlin Germany hsun@fmp-berlin.de.

Chem Sci ; 12(38): 12754-12762, 2021 Oct 06.

Article em En | MEDLINE | ID: mdl-34703562

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Chem Sci Ano de publicação: 2021 Tipo de documento: Article País de publicação: Reino Unido

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