Shigeta Y - Search Results

1

Molecular association model of PPARα and its new specific and efficient ligand, pemafibrate: Structural basis for SPPARMα.

Yamamoto Y, Takei K, Arulmozhiraja S, Sladek V, Matsuo N, Han SI, Matsuzaka T, Sekiya M, Tokiwa T, Shoji M, Shigeta Y, Nakagawa Y, Tokiwa H, Shimano H. Yamamoto Y, et al. Among authors: shigeta y. Biochem Biophys Res Commun. 2018 May 5;499(2):239-245. doi: 10.1016/j.bbrc.2018.03.135. Epub 2018 Mar 22. Biochem Biophys Res Commun. 2018. PMID: 29567478

2

Catalytic Mechanism of Nitrile Hydratase Subsequent to Cyclic Intermediate Formation: A QM/MM Study.

Kayanuma M, Shoji M, Yohda M, Odaka M, Shigeta Y. Kayanuma M, et al. Among authors: shigeta y. J Phys Chem B. 2016 Apr 7;120(13):3259-66. doi: 10.1021/acs.jpcb.5b11363. Epub 2016 Mar 23. J Phys Chem B. 2016. PMID: 27007978

3

Large-scale QM/MM calculations of the CaMn₄O₅ cluster in the S₃ state of the oxygen evolving complex of photosystem II. Comparison between water-inserted and no water-inserted structures.

Shoji M, Isobe H, Nakajima T, Shigeta Y, Suga M, Akita F, Shen JR, Yamaguchi K. Shoji M, et al. Among authors: shigeta y. Faraday Discuss. 2017 Jun 2;198:83-106. doi: 10.1039/c6fd00230g. Faraday Discuss. 2017. PMID: 28276543

4

Molecular Mechanism of the Reaction Specificity in Threonine Synthase: Importance of the Substrate Conformations.

Ujiie Y, Tanaka W, Hanaoka K, Harada R, Kayanuma M, Shoji M, Murakawa T, Ishida T, Shigeta Y, Hayashi H. Ujiie Y, et al. Among authors: shigeta y. J Phys Chem B. 2017 Jun 8;121(22):5536-5543. doi: 10.1021/acs.jpcb.7b02932. Epub 2017 May 24. J Phys Chem B. 2017. PMID: 28489381

5

Concerted Mechanism of Water Insertion and O₂ Release during the S₄ to S₀ Transition of the Oxygen-Evolving Complex in Photosystem II.

Shoji M, Isobe H, Shigeta Y, Nakajima T, Yamaguchi K. Shoji M, et al. Among authors: shigeta y. J Phys Chem B. 2018 Jun 28;122(25):6491-6502. doi: 10.1021/acs.jpcb.8b03465. Epub 2018 Jun 15. J Phys Chem B. 2018. PMID: 29852735

6

Redox Potential-Dependent Formation of an Unusual His-Trp Bond in Bilirubin Oxidase.

Akter M, Tokiwa T, Shoji M, Nishikawa K, Shigeta Y, Sakurai T, Higuchi Y, Kataoka K, Shibata N. Akter M, et al. Among authors: shigeta y. Chemistry. 2018 Dec 5;24(68):18052-18058. doi: 10.1002/chem.201803798. Epub 2018 Nov 15. Chemistry. 2018. PMID: 30156345

7

Protein Residue Networks from Energetic and Geometric Data: Are They Identical?

Sladek V, Tokiwa H, Shimano H, Shigeta Y. Sladek V, et al. Among authors: shigeta y. J Chem Theory Comput. 2018 Dec 11;14(12):6623-6631. doi: 10.1021/acs.jctc.8b00733. Epub 2018 Nov 30. J Chem Theory Comput. 2018. PMID: 30500196

8

Development of an Analysis Toolkit, AnalysisFMO, to Visualize Interaction Energies Generated by Fragment Molecular Orbital Calculations.

Tokiwa T, Nakano S, Yamamoto Y, Ishikawa T, Ito S, Sladek V, Fukuzawa K, Mochizuki Y, Tokiwa H, Misaizu F, Shigeta Y. Tokiwa T, et al. Among authors: shigeta y. J Chem Inf Model. 2019 Jan 28;59(1):25-30. doi: 10.1021/acs.jcim.8b00649. Epub 2018 Dec 20. J Chem Inf Model. 2019. PMID: 30517784

9

Structural Changes of the Trinuclear Copper Center in Bilirubin Oxidase upon Reduction.

Tokiwa T, Shoji M, Sladek V, Shibata N, Higuchi Y, Kataoka K, Sakurai T, Shigeta Y, Misaizu F. Tokiwa T, et al. Among authors: shigeta y. Molecules. 2018 Dec 26;24(1):76. doi: 10.3390/molecules24010076. Molecules. 2018. PMID: 30587809 Free PMC article.

10

Photosubstitution Reaction of cis-[Ru(bpy)₂(CH₃CN)₂]²⁺ and cis-[Ru(bpy)₂(NH₃)₂]²⁺ in Aqueous Solution via Monoaqua Intermediate.

Kayanuma M, Shoji M, Shigeta Y. Kayanuma M, et al. Among authors: shigeta y. J Phys Chem A. 2019 Apr 4;123(13):2497-2502. doi: 10.1021/acs.jpca.8b11399. Epub 2019 Mar 13. J Phys Chem A. 2019. PMID: 30864800

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