HspB1 phosphorylation regulates its intramolecular dynamics and mechanosensitive molecular chaperone interaction with filamin C

Autor: Collier, MP, Alderson, TR, De Villiers, CP, Nicholls, D, Gastall, HY, Allison, TM, Degiacomi, MT, Jiang, H, Mlynek, G, Fürst, DO, Van Der Ven, PFM, Djinovic-Carugo, K, Baldwin, AJ, Watkins, H, Gehmlich, K, Benesch, JLP

Publikováno v: Science Advances

The molecular chaperone HspB1 regulates the biomechanical extension of the heart muscle protein filamin C upon stress.
Mechanical force–induced conformational changes in proteins underpin a variety of physiological functions, typified in muscl

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Modeling Realistic Clay Systems with ClayCode .

Autor: Pollak H; School of Chemistry, University of Edinburgh, Joseph Black Building, David Brewster Road, Edinburgh EH9 3FJ, United Kingdom., Degiacomi MT; Department of Physics, Durham University, South Road, Durham DH1 3LE, United Kingdom., Erastova V; School of Chemistry, University of Edinburgh, Joseph Black Building, David Brewster Road, Edinburgh EH9 3FJ, United Kingdom.; UK Centre for Astrobiology, School of Physics and Astronomy, University of Edinburgh, James Clerk Maxwell Building, Peter Guthrie Tait Road, Edinburgh EH9 3FD, United Kingdom.

Publikováno v: Journal of chemical theory and computation [J Chem Theory Comput] 2024 Nov 12; Vol. 20 (21), pp. 9606-9617. Date of Electronic Publication: 2024 Oct 15.

Oligomerization-driven avidity correlates with SARS-CoV-2 cellular binding and inhibition.

Autor: Asor R; Physical and Theoretical Chemistry, Department of Chemistry, University of Oxford, Oxford OX1 3QZ, United Kingdom.; The Kavli Institute for Nanoscience Discovery, Dorothy Crowfoot Hodgkin Building, University of Oxford, Oxford OX1 3QU, United Kingdom., Olerinyova A; Physical and Theoretical Chemistry, Department of Chemistry, University of Oxford, Oxford OX1 3QZ, United Kingdom.; The Kavli Institute for Nanoscience Discovery, Dorothy Crowfoot Hodgkin Building, University of Oxford, Oxford OX1 3QU, United Kingdom., Burnap SA; The Kavli Institute for Nanoscience Discovery, Dorothy Crowfoot Hodgkin Building, University of Oxford, Oxford OX1 3QU, United Kingdom.; Department of Biochemistry, University of Oxford, Oxford OX1 3QU, United Kingdom., Kushwah MS; Physical and Theoretical Chemistry, Department of Chemistry, University of Oxford, Oxford OX1 3QZ, United Kingdom.; The Kavli Institute for Nanoscience Discovery, Dorothy Crowfoot Hodgkin Building, University of Oxford, Oxford OX1 3QU, United Kingdom., Soltermann F; Physical and Theoretical Chemistry, Department of Chemistry, University of Oxford, Oxford OX1 3QZ, United Kingdom.; The Kavli Institute for Nanoscience Discovery, Dorothy Crowfoot Hodgkin Building, University of Oxford, Oxford OX1 3QU, United Kingdom., Rudden LSP; Department of Physics, Durham University, Durham DH1 3LE, United Kingdom., Hensen M; The Kavli Institute for Nanoscience Discovery, Dorothy Crowfoot Hodgkin Building, University of Oxford, Oxford OX1 3QU, United Kingdom.; Department of Biochemistry, University of Oxford, Oxford OX1 3QU, United Kingdom., Vasiljevic S; The Kavli Institute for Nanoscience Discovery, Dorothy Crowfoot Hodgkin Building, University of Oxford, Oxford OX1 3QU, United Kingdom.; Department of Biochemistry, University of Oxford, Oxford OX1 3QU, United Kingdom., Brun J; The Kavli Institute for Nanoscience Discovery, Dorothy Crowfoot Hodgkin Building, University of Oxford, Oxford OX1 3QU, United Kingdom.; Department of Biochemistry, University of Oxford, Oxford OX1 3QU, United Kingdom., Hill M; The Kavli Institute for Nanoscience Discovery, Dorothy Crowfoot Hodgkin Building, University of Oxford, Oxford OX1 3QU, United Kingdom.; Department of Biochemistry, University of Oxford, Oxford OX1 3QU, United Kingdom., Chang L; Wellcome Centre for Human Genetics, Nuffield Department of Medicine, University of Oxford, Oxford OX3 7BN, United Kingdom.; Chinese Academy of Medical Science Oxford Institute, University of Oxford, Oxford OX3 7FZ, United Kingdom., Dejnirattisai W; Wellcome Centre for Human Genetics, Nuffield Department of Medicine, University of Oxford, Oxford OX3 7BN, United Kingdom.; Division of Emerging Infectious Disease, Research Department, Faculty of Medicine Siriraj Hospital, Mahidol University, Bangkoknoi, Bangkok 10700, Thailand., Supasa P; Wellcome Centre for Human Genetics, Nuffield Department of Medicine, University of Oxford, Oxford OX3 7BN, United Kingdom., Mongkolsapaya J; Wellcome Centre for Human Genetics, Nuffield Department of Medicine, University of Oxford, Oxford OX3 7BN, United Kingdom.; Chinese Academy of Medical Science Oxford Institute, University of Oxford, Oxford OX3 7FZ, United Kingdom., Zhou D; Division of Structural Biology, Wellcome Centre for Human Genetics, University of Oxford, Oxford OX3 7BN, United Kingdom., Stuart DI; Division of Structural Biology, Wellcome Centre for Human Genetics, University of Oxford, Oxford OX3 7BN, United Kingdom.; Diamond Light Source (United Kingdom), Harwell Science and Innovation Campus, Didcot OX110DE, United Kingdom., Screaton GR; Wellcome Centre for Human Genetics, Nuffield Department of Medicine, University of Oxford, Oxford OX3 7BN, United Kingdom.; Oxford University Hospitals National Health Service Foundation Trust, Oxford OX3 7JH, United Kingdom., Degiacomi MT; Department of Physics, Durham University, Durham DH1 3LE, United Kingdom., Zitzmann N; The Kavli Institute for Nanoscience Discovery, Dorothy Crowfoot Hodgkin Building, University of Oxford, Oxford OX1 3QU, United Kingdom.; Department of Biochemistry, University of Oxford, Oxford OX1 3QU, United Kingdom., Benesch JLP; Physical and Theoretical Chemistry, Department of Chemistry, University of Oxford, Oxford OX1 3QZ, United Kingdom.; The Kavli Institute for Nanoscience Discovery, Dorothy Crowfoot Hodgkin Building, University of Oxford, Oxford OX1 3QU, United Kingdom., Struwe WB; The Kavli Institute for Nanoscience Discovery, Dorothy Crowfoot Hodgkin Building, University of Oxford, Oxford OX1 3QU, United Kingdom.; Department of Biochemistry, University of Oxford, Oxford OX1 3QU, United Kingdom., Kukura P; Physical and Theoretical Chemistry, Department of Chemistry, University of Oxford, Oxford OX1 3QZ, United Kingdom.; The Kavli Institute for Nanoscience Discovery, Dorothy Crowfoot Hodgkin Building, University of Oxford, Oxford OX1 3QU, United Kingdom.

Publikováno v: Proceedings of the National Academy of Sciences of the United States of America [Proc Natl Acad Sci U S A] 2024 Oct; Vol. 121 (40), pp. e2403260121. Date of Electronic Publication: 2024 Sep 19.

Identification of Graphene Dispersion Agents through Molecular Fingerprints.

Autor: Goldie SJ; Department of Chemistry, Durham University, South Road, Durham, DH1 3LE, United Kingdom., Degiacomi MT; Department of Physics, Durham University, South Road, Durham, DH1 3LE, United Kingdom., Jiang S; Department of Chemistry, Durham University, South Road, Durham, DH1 3LE, United Kingdom., Clark SJ; Department of Physics, Durham University, South Road, Durham, DH1 3LE, United Kingdom., Erastova V; School of Chemistry, University of Edinburgh, David Brewster Road, Edinburgh, EH9 3FJ, United Kingdom., Coleman KS; Department of Chemistry, Durham University, South Road, Durham, DH1 3LE, United Kingdom.

Publikováno v: ACS nano [ACS Nano] 2022 Oct 25; Vol. 16 (10), pp. 16109-16117. Date of Electronic Publication: 2022 Sep 27.

Complementing machine learning-based structure predictions with native mass spectrometry.

Autor: Allison TM; Biomolecular Interaction Centre, School of Physical and Chemical Sciences, University of Canterbury, Christchurch, New Zealand., Degiacomi MT; Department of Physics, Durham University, Durham, UK., Marklund EG; Department of Chemistry - BMC, Uppsala University, Uppsala, Sweden., Jovine L; Department of Biosciences and Nutrition, Karolinska Institutet, Huddinge, Sweden., Elofsson A; Science for Life Laboratory and Department of Biochemistry and Biophysics, Stockholm University, Solna, Sweden., Benesch JLP; Department of Chemistry, University of Oxford, Oxford, UK., Landreh M; Department of Microbiology, Tumor and Cell Biology, Karolinska Institutet - Biomedicum, Stockholm, Sweden.

Publikováno v: Protein science : a publication of the Protein Society [Protein Sci] 2022 Jun; Vol. 31 (6), pp. e4333.