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Allostery in Its Many Disguises: From Theory to Applications.


ABSTRACT: Allosteric regulation plays an important role in many biological processes, such as signal transduction, transcriptional regulation, and metabolism. Allostery is rooted in the fundamental physical properties of macromolecular systems, but its underlying mechanisms are still poorly understood. A collection of contributions to a recent interdisciplinary CECAM (Center Européen de Calcul Atomique et Moléculaire) workshop is used here to provide an overview of the progress and remaining limitations in the understanding of the mechanistic foundations of allostery gained from computational and experimental analyses of real protein systems and model systems. The main conceptual frameworks instrumental in driving the field are discussed. We illustrate the role of these frameworks in illuminating molecular mechanisms and explaining cellular processes, and describe some of their promising practical applications in engineering molecular sensors and informing drug design efforts.

SUBMITTER: Wodak SJ 

PROVIDER: S-EPMC6688844 | biostudies-literature | 2019 Apr

REPOSITORIES: biostudies-literature

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Allostery in Its Many Disguises: From Theory to Applications.

Wodak Shoshana J SJ   Paci Emanuele E   Dokholyan Nikolay V NV   Berezovsky Igor N IN   Horovitz Amnon A   Li Jing J   Hilser Vincent J VJ   Bahar Ivet I   Karanicolas John J   Stock Gerhard G   Hamm Peter P   Stote Roland H RH   Eberhardt Jerome J   Chebaro Yassmine Y   Dejaegere Annick A   Cecchini Marco M   Changeux Jean-Pierre JP   Bolhuis Peter G PG   Vreede Jocelyne J   Faccioli Pietro P   Orioli Simone S   Ravasio Riccardo R   Yan Le L   Brito Carolina C   Wyart Matthieu M   Gkeka Paraskevi P   Rivalta Ivan I   Palermo Giulia G   McCammon J Andrew JA   Panecka-Hofman Joanna J   Wade Rebecca C RC   Di Pizio Antonella A   Niv Masha Y MY   Nussinov Ruth R   Tsai Chung-Jung CJ   Jang Hyunbum H   Padhorny Dzmitry D   Kozakov Dima D   McLeish Tom T  

Structure (London, England : 1993) 20190207 4


Allosteric regulation plays an important role in many biological processes, such as signal transduction, transcriptional regulation, and metabolism. Allostery is rooted in the fundamental physical properties of macromolecular systems, but its underlying mechanisms are still poorly understood. A collection of contributions to a recent interdisciplinary CECAM (Center Européen de Calcul Atomique et Moléculaire) workshop is used here to provide an overview of the progress and remaining limitations i  ...[more]

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