平成30年度発足 新学術領域研究
発動分子科学

News&Event

研究成果 - C02-1

【原著論文】      【書籍/総説・解説】

原著論文
Structural and dynamical insights into the PH domain of p62 in human TFIIH
M. Okuda, T. Ekimoto, J. Kurita, M. Ikeguchi, *Y. Nishimura, Nucleic Acids Research , 49, 2916–2930 (2021), DOI: 10.1093/nar/gkaa1045

Imidazolinium‐based Multiblock Amphiphile as Transmembrane Anion Transporter
M. Mori, K. Sato, T. Ekimoto, S. Okumura, M. Ikeguchi, K. V. Tabata, H. Noji, *K. Kinbara, Chem. Asian J. , 16, 147-157 (2020), DOI: 10.1002/asia.202001106

A synthetic ion channel with anisotropic ligand response
*T. Muraoka, D. Noguchi, R. S. Kasai, K. Sato, R. Sasaki, K. V. Tabata, T. Ekimoto, M. Ikeguchi, K. Kamagata, N. Hoshino, H. Noji, T. Akutagawa, K. Ichimura, *K. Kinbara, Nat. Commun. , 11, 2924 (2020), DOI: 10.1002/open.201900374

Revisiting biomolecular NMR spectroscopy for promoting small-molecule drug discovery
*H. Hanzawa, T. Shimada, M. Takahashi, H. Takahashi, Journal of Biomolecular NMR , 74, 501–508 (2020), DOI: 10.1007/s10858-020-00314-0

Cooperative interactions facilitate stimulation of Rad51 by the Swi5-Sfr1 auxiliary factor complex
B. Argunhan, M. Sakakura, N. Afshar, M. Kurihara, K. Ito, T. Maki, S. Kanamaru, Y. Murayama, H. Tsubouchi, M. Takahashi, *H. Takahashi and *H. Iwasaki, eLife, 9, e52566 (2020), DOI: 10.7554/eLife.52566

Hydration properties of a protein at low and high pressures: Physics of pressure denaturation
M. Inoue, T. Hayashi, S. Hikiri, M. Ikeguchi, *M. Kinoshita, J. Chem. Phys., 152, 065103 (2020), DOI: 10.1063/1.5140499

Combination of coarse-grained molecular dynamics simulations and small-angle X-ray scattering experiments
T. Ekimoto, Y. Kokabu, T. Oroguchi, *M. Ikeguchi, Biophys. Physicobiol., 16, 377-390 (2019), DOI: 10.2142/biophysico.16.0_377

Structural mechanisms underlying activity changes in an AMPA-type glutamate receptor induced by substitutions in its ligand-binding domain
*M. Sakakura, Y. Ohkubo, H. Oshima, S. Re, M. Ito, Y. Sugita, and *H. Takahashi, Structure, 27, 1698-1709 (2019), DOI: 10.1016/j.str.2019.09.004

How Does the Recently Discovered Peptide MIP Exhibit Much Higher Binding Affinity than an Anticancer Protein p53 for an Oncoprotein MDM2?
T. Yamada, T. Hayashi, S. Hikiri, N. Kobayashi, H. Yanagawa, M. Ikeguchi, M. Katahira,, T. Nagata, *M. Kinoshita, J. Chem. Inf. Model., 59, 3533-3544 (2019), DOI: 10.1021/acs.jcim.9b00226

An accurate and rapid method for calculating hydration free energies of a variety of solutes including proteins
S. Hikiri, T. Hayashi, M. Inoue, T. Ekimoto, M. Ikeguchi, *M. Kinoshita, J. Chem. Phys., 150, 175101 (2019), DOI: 10.1063/1.5093110

Population shift mechanism for partial agonism of AMPA receptor
H. Oshima, Suyong Re, M. Sakakura, H. Takahashi, *Y. Sugita
Biophys. J.,116, 57-68 (2019), DOI: 10.1016/j.bpj.2018.11.3122

Elimination of Finite-Size Effects on Binding Free Energies via the Warp-Drive Method
T. Ekimoto, T. Yamane, *M. Ikeguchi,
J. Chem. Theory Comput., 14, 6544-6559 (2018), DOI: 10.1021/acs.jctc.8b00280

Statistical thermodynamics for the unexpectedly large difference between disaccharide stereoisomers in terms of solubility in water
S. Hikiri, T. Hayashi, M. Ikeguchi, *M. Kinoshita,
Phys. Chem. Chem. Phys.,20, 23684-23693 (2018), DOI: 10.1039/c8cp04377a

書籍/総説・解説
“Rotational Mechanism Model of the Bacterial V1 Motor Based on Structural and Computational Analyses”
Abhishek Singharoy*, Chris Chipot, Toru Ekimoto, Kano Suzuki, Mitsunori Ikeguchi, Ichiro Yamato,
Takeshi Murata*, Front. Physiol., 10 , 1-12 (2019), DOI: 10.3389/fphys.2019.00046

・「Integrative Structural Biology with Hybrid Methods」,
Nakamura H, Kleywegt G, Burley K.S, Markley L. J.,
“Hybrid Methods for Modeling Protein Structures Using Molecular Dynamics Simulations and Small-Angle
X-Ray Scattering Data”, T. Ekimoto, *M. Ikeguchi,
Springer Nature Singapore (2018), 237-258, ISBN:978-981-13-2199-3

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