Year: 2019
Type: article
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.
Source: Structure
Authors: Shoshana J. Wodak, Emanuele Paci, Nikolay V. Dokholyan, Igor N. Berezovsky, Amnon Horovitz, Jing Li, Vincent J. Hilser, Ivet Bahar, John Karanicolas, Gerhard Stock, Peter Hamm, Roland H. Stote, Jerome Eberhardt, Yassmine Chebaro, Annick Dejaegere, Marco Cecchini, Jean-Pierre Changeux, Peter G. Bolhuis, Jocelyne Vreede, Pietro Faccioli, Simone Orioli, Riccardo Ravasio, Le Yan, Carolina Brito, Matthieu Wyart, Paraskevi Gkeka, Ivan Rivalta, Giulia Palermo, J. Andrew McCammon, Joanna Panecka-Hofman, Rebecca C. Wade, Antonella Di Pizio, Masha Y. Niv, Ruth Nussinov, Chung-Jung Tsai, Hyunbum Jang, Dzmitry Padhorny, Dima Kozakov, Tom McLeish
Institutions: VIB-VUB Center for Structural Biology, University of Leeds, University of North Carolina at Chapel Hill, Pennsylvania State University, Penn State Milton S. Hershey Medical Center, Agency for Science, Technology and Research, National University of Singapore, Bioinformatics Institute, Weizmann Institute of Science, Johns Hopkins University, University of Pittsburgh, Fox Chase Cancer Center, University of Freiburg, University of Zurich, Institut de génétique et de biologie moléculaire et cellulaire, Centre National de la Recherche Scientifique, Institut de Chimie de Strasbourg, Université de Strasbourg, Institut Pasteur, Collège de France, University of Amsterdam, University of Trento, Istituto Nazionale di Fisica Nucleare, Trento Institute for Fundamental Physics And Applications, École Polytechnique Fédérale de Lausanne, University of California, Santa Barbara, Kavli Institute for Theoretical Physics, Universidade Federal do Rio Grande do Sul, Sanofi (France), Lyon 1 Université, École Normale Supérieure de Lyon, University of California, Riverside, University of California San Diego, University of Warsaw, Heidelberg University, DKFZ-ZMBH Alliance, Heidelberg Institute for Theoretical Studies, Leibniz-Institute for Food Systems Biology at the Technical University of Munich, Technical University of Munich, Hebrew University of Jerusalem, Tel Aviv University, Frederick National Laboratory for Cancer Research, National Cancer Institute, Stony Brook University, University of York
Language: English
Subfield: Molecular Biology
Domain: Life Sciences
Open Access status: hybrid
Estimated APC paid: $5,200
Funders: Center for Cancer Research, U.S. Department of Health and Human Services, European Commission, Universität Heidelberg, National Natural Science Foundation of China, Partnership for Advanced Computing in Europe AISBL, Israel Science Foundation, Narodowe Centrum Nauki, Klaus Tschira Stiftung, Grand Équipement National De Calcul Intensif, National Institutes of Health, Engineering and Physical Sciences Research Council, Horizon 2020, European Regional Development Fund, National Institute on Drug Abuse, National Cancer Institute, National Institute of General Medical Sciences, FP7 People: Marie-Curie Actions
Awards: G1163571418, G1217777924, G1238749942, G1271051453, G1571700926, G1608906501, G1672844487, G2010966541, G2119708614, G227538399, G2645940334, G2678327314, Engineering allostery for in vivo protein control, G3202334880, G3207356259, G3503792436, G386607036, G3964993137, Human Brain Project Specific Grant Agreement 1, G4027149583, G4053127980, G434337789, G4585269469, G496129201, G5109011462, G5124063000, Targeting the mutated PI3Kα isoform for the development of novel anti-cancer agents, G5268415350, G5475328312, G557110629, G5673166571, G5888954722, G6028912590, G6088931246, High Performance Computing for Multiscale Modeling of Biological Systems, The Experimental Energy Landscape and Protein Function, G7334736390, G7890502073, G8723490232, Physics of Life - Noise, Information and Evolution in Protein Binding, Allostery in an intrinsically disordered transcription factor, Linking Scientific Computing in Europe and the Eastern Mediterranean - Phase 2, G9000004034, G9000008937, G9000016529, G9000093682, G9000115001, G9000247998, G9000311724, G931362385, G967105997
OpenAlex ID: W2911398658