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Allostery in Its Many Disguises: From Theory to Applications.
Wodak, Shoshana J; Paci, Emanuele; Dokholyan, Nikolay V; Berezovsky, Igor N; Horovitz, Amnon; Li, Jing; Hilser, Vincent J; Bahar, Ivet; Karanicolas, John; Stock, Gerhard; Hamm, Peter; Stote, Roland H; Eberhardt, Jerome; Chebaro, Yassmine; Dejaegere, Annick; Cecchini, Marco; Changeux, Jean-Pierre; Bolhuis, Peter G; Vreede, Jocelyne; Faccioli, Pietro; Orioli, Simone; Ravasio, Riccardo; Yan, Le; Brito, Carolina; Wyart, Matthieu; Gkeka, Paraskevi; Rivalta, Ivan; Palermo, Giulia; McCammon, J Andrew; Panecka-Hofman, Joanna; Wade, Rebecca C; Di Pizio, Antonella; Niv, Masha Y; Nussinov, Ruth; Tsai, Chung-Jung; Jang, Hyunbum; Padhorny, Dzmitry; Kozakov, Dima; McLeish, Tom.
Affiliation
  • Wodak SJ; VIB-VUB Centre for Structural Biology, Brussels, Belgium. Electronic address: shoshana.wodak@gmail.com.
  • Paci E; Astbury Centre, University of Leeds, Leeds, UK.
  • Dokholyan NV; Department of Biochemistry & Biophysics, University of North Carolina at Chapel Hill, Chapel Hill, NC, USA; Departments of Pharmacology and Biochemistry & Molecular Biology, Penn State Medical Center, Hershey, PA, USA.
  • Berezovsky IN; Bioinformatics Institute (BII), Agency for Science, Technology and Research (A(∗)STAR), and Department of Biological Sciences, National University of Singapore, Singapore, Singapore.
  • Horovitz A; Department of Structural Biology, Weizmann Institute of Science, Rehovot, Israel.
  • Li J; Departments of Biology and T.C. Jenkins Department of Biophysics, Johns Hopkins University, Baltimore, USA.
  • Hilser VJ; Departments of Biology and T.C. Jenkins Department of Biophysics, Johns Hopkins University, Baltimore, USA.
  • Bahar I; School of Medicine, University of Pittsburgh, Pittsburgh, USA.
  • Karanicolas J; Fox Chase Cancer Center, Philadelphia, USA.
  • Stock G; Biomolecular Dynamics, Institute of Physics, Albert Ludwigs University, Freiburg, Germany.
  • Hamm P; Department of Chemistry, University of Zurich, Zurich, Switzerland.
  • Stote RH; Department of Integrative Structural Biology, Institut de Génétique et de Biologie Moléculaire et Cellulaire (IGBMC), Illkirch, France.
  • Eberhardt J; Department of Integrative Structural Biology, Institut de Génétique et de Biologie Moléculaire et Cellulaire (IGBMC), Illkirch, France.
  • Chebaro Y; Department of Integrative Structural Biology, Institut de Génétique et de Biologie Moléculaire et Cellulaire (IGBMC), Illkirch, France.
  • Dejaegere A; Department of Integrative Structural Biology, Institut de Génétique et de Biologie Moléculaire et Cellulaire (IGBMC), Illkirch, France.
  • Cecchini M; Institut de Chimie de Strasbourg, UMR7177 CNRS & Université de Strasbourg, Strasbourg, France.
  • Changeux JP; Institut Pasteur & Collège de France, Paris, France.
  • Bolhuis PG; van 't Hoff Institute for Molecular Sciences (HIMS), University of Amsterdam, Amsterdam, Netherlands.
  • Vreede J; van 't Hoff Institute for Molecular Sciences (HIMS), University of Amsterdam, Amsterdam, Netherlands.
  • Faccioli P; Physics Department, Università di Trento and INFN-TIFPA, Trento, Italy.
  • Orioli S; Physics Department, Università di Trento and INFN-TIFPA, Trento, Italy.
  • Ravasio R; Institute of Physics, Ecole Polytechnique Fédérale de Lausanne, Lausanne, Switzerland.
  • Yan L; Kavli Institute for Theoretical Physics, University of California, Santa Barbara, CA 93106, USA.
  • Brito C; Instituto de Física, Universidade Federal do Rio Grande do Sul, Porto Alegre, RS 91501-970, Brazil.
  • Wyart M; Institute of Physics, Ecole Polytechnique Fédérale de Lausanne, Lausanne, Switzerland.
  • Gkeka P; Structure Design and Informatics, Sanofi R&D, Chilly-Mazarin, France.
  • Rivalta I; École Normale Supérieure de Lyon, Université de Lyon, CNRS, Université Claude Bernard Lyon 1, Lyon, France.
  • Palermo G; Department of Chemistry and Biochemistry, University of California, San Diego, USA; Department of Bioengineering, University of California Riverside, CA 92507, USA.
  • McCammon JA; Department of Chemistry and Biochemistry, University of California, San Diego, USA.
  • Panecka-Hofman J; Division of Biophysics, Institute of Experimental Physics, Faculty of Physics, University of Warsaw, Warsaw, Poland.
  • Wade RC; Molecular and Cellular Modeling Group, Heidelberg Institute for Theoretical Studies (HITS) and Center for Molecular Biology (ZMBH), DKFZ-ZMBH Alliance, Heidelberg University, Heidelberg, Germany; Interdisciplinary Center for Scientific Computing (IWR), Heidelberg University, Heidelberg, Germany.
  • Di Pizio A; Leibniz-Institute for Food Systems Biology, Technical University of Munich, Munich, Germany.
  • Niv MY; Institute of Biochemistry, Food Science and Nutrition, Robert H Smith Faculty of Agriculture Food and Environment, The Hebrew University, Jerusalem, Israel.
  • Nussinov R; Frederick National Laboratory for Cancer Research, National Cancer Institute, Frederick, USA; Sackler Institute of Molecular Medicine, Department of Human Genetics and Molecular Medicine Sackler School of Medicine, Tel Aviv University, Tel Aviv, Israel.
  • Tsai CJ; Frederick National Laboratory for Cancer Research, National Cancer Institute, Frederick, USA.
  • Jang H; Frederick National Laboratory for Cancer Research, National Cancer Institute, Frederick, USA.
  • Padhorny D; Department of Applied Mathematics and Statistics, Stony Brook University, Stony Brook, NY 11794, USA.
  • Kozakov D; Department of Applied Mathematics and Statistics, Stony Brook University, Stony Brook, NY 11794, USA.
  • McLeish T; Department of Physics, University of York, York, UK.
Structure ; 27(4): 566-578, 2019 04 02.
Article in En | MEDLINE | ID: mdl-30744993
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.
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Biosensing Techniques / Drug Design / Proteins / Allosteric Site Limits: Animals / Humans Language: En Journal: Structure Journal subject: BIOLOGIA MOLECULAR / BIOQUIMICA / BIOTECNOLOGIA Year: 2019 Document type: Article Country of publication: United States
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Biosensing Techniques / Drug Design / Proteins / Allosteric Site Limits: Animals / Humans Language: En Journal: Structure Journal subject: BIOLOGIA MOLECULAR / BIOQUIMICA / BIOTECNOLOGIA Year: 2019 Document type: Article Country of publication: United States