Fragment Molecular Orbital based affinity prediction toward pyruvate dehydrogenase kinases: Insights into the charge transfer in hydrogen bond networks
Akaki, Tatsuo, Nakamura, Shinya, Nishiwaki, Keiji, Nakanishi, Isao
Published in Chemical & pharmaceutical bulletin (01.04.2023)
Published in Chemical & pharmaceutical bulletin (01.04.2023)
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Journal Article
Precise Probing of Residue Roles by NRPS Code Swapping: Mutation, Enzymatic Characterization, Modeling, and Substrate Promiscuity of Aryl Acid Adenylation Domains
Ishikawa, Fumihiro, Nohara, Maya, Nakamura, Shinya, Nakanishi, Isao, Tanabe, Genzoh
Published in Biochemistry (Easton) (04.02.2020)
Published in Biochemistry (Easton) (04.02.2020)
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Journal Article
The Use of Many-Body Expansions and Geometry Optimizations in Fragment-Based Methods
Fedorov, Dmitri G, Asada, Naoya, Nakanishi, Isao, Kitaura, Kazuo
Published in Accounts of chemical research (16.09.2014)
Published in Accounts of chemical research (16.09.2014)
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Journal Article
Structure–Activity Relationships and Docking Studies of Hydroxychavicol and Its Analogs as Xanthine Oxidase Inhibitors
Nishiwaki, Keiji, Ohigashi, Kanae, Deguchi, Takahiro, Murata, Kazuya, Nakamura, Shinya, Matsuda, Hideaki, Nakanishi, Isao
Published in Chemical & pharmaceutical bulletin (01.07.2018)
Published in Chemical & pharmaceutical bulletin (01.07.2018)
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Journal Article
Design, Synthesis and Structure–Activity Relationship Studies of Protein Kinase CK2 Inhibitors Containing a Purine Scaffold
Nishiwaki, Keiji, Nakamura, Shinya, Yoshioka, Kenji, Nakagawa, Eri, Nakatani, Shiori, Tsuyuguchi, Masato, Kinoshita, Takayoshi, Nakanishi, Isao
Published in Chemical & pharmaceutical bulletin (01.07.2023)
Published in Chemical & pharmaceutical bulletin (01.07.2023)
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Journal Article
Activity, Binding, and Modeling Studies of a Reprogrammed Aryl Acid Adenylation Domain with an Enlarged Substrate Binding Pocket
Ishikawa, Fumihiro, Kitayama, Hinano, Nakamura, Shinya, Takashima, Katsuki, Nakanishi, Isao, Tanabe, Genzoh
Published in Chemical & pharmaceutical bulletin (01.02.2021)
Published in Chemical & pharmaceutical bulletin (01.02.2021)
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Journal Article
Synthesis and Functional Characterization of Novel Sialyl LewisX Mimic-Decorated Liposomes for E‑selectin-Mediated Targeting to Inflamed Endothelial Cells
Chantarasrivong, Chanikarn, Ueki, Akiharu, Ohyama, Ryutaro, Unga, Johan, Nakamura, Shinya, Nakanishi, Isao, Higuchi, Yuriko, Kawakami, Shigeru, Ando, Hiromune, Imamura, Akihiro, Ishida, Hideharu, Yamashita, Fumiyoshi, Kiso, Makoto, Hashida, Mitsuru
Published in Molecular pharmaceutics (01.05.2017)
Published in Molecular pharmaceutics (01.05.2017)
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Journal Article
A promiscuous kinase inhibitor delineates the conspicuous structural features of protein kinase CK2a1
Tsuyuguchi, Masato, Nakaniwa, Tetsuko, Sawa, Masaaki, Nakanishi, Isao, Kinoshita, Takayoshi
Published in Acta crystallographica. Section F, Structural biology communications (01.07.2019)
Published in Acta crystallographica. Section F, Structural biology communications (01.07.2019)
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Journal Article
Structure–activity relationship study of 4-(thiazol-5-yl)benzoic acid derivatives as potent protein kinase CK2 inhibitors
Ohno, Hiroaki, Minamiguchi, Daiki, Nakamura, Shinya, Shu, Keito, Okazaki, Shiho, Honda, Maho, Misu, Ryosuke, Moriwaki, Hirotomo, Nakanishi, Shinsuke, Oishi, Shinya, Kinoshita, Takayoshi, Nakanishi, Isao, Fujii, Nobutaka
Published in Bioorganic & medicinal chemistry (01.03.2016)
Published in Bioorganic & medicinal chemistry (01.03.2016)
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Journal Article
Identification of selective inhibitors of sphingosine kinases 1 and 2 through a structure–activity relationship study of 4-epi-jaspine B
Ohno, Hiroaki, Honda, Maho, Hamada, Naoka, Miyagaki, Jun, Iwata, Akira, Otsuki, Kazuhiro, Maruyama, Toru, Nakamura, Shinya, Nakanishi, Isao, Inuki, Shinsuke, Fujii, Nobutaka, Oishi, Shinya
Published in Bioorganic & medicinal chemistry (15.06.2017)
Published in Bioorganic & medicinal chemistry (15.06.2017)
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Journal Article
Identification of protein kinase CK2 inhibitors using solvent dipole ordering virtual screening
Nakanishi, Isao, Murata, Katsumi, Nagata, Naoya, Kurono, Masakuni, Kinoshita, Takayoshi, Yasue, Misato, Miyazaki, Takako, Takei, Yoshinori, Nakamura, Shinya, Sakurai, Atsushi, Iwamoto, Nobuko, Nishiwaki, Keiji, Nakaniwa, Tetsuko, Sekiguchi, Yusuke, Hirasawa, Akira, Tsujimoto, Gozoh, Kitaura, Kazuo
Published in European journal of medicinal chemistry (26.05.2015)
Published in European journal of medicinal chemistry (26.05.2015)
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Journal Article
Optimization of diaryl amine derivatives as kinesin spindle protein inhibitors
Takeuchi, Tomoki, Oishi, Shinya, Kaneda, Masato, Misu, Ryosuke, Ohno, Hiroaki, Sawada, Jun-ichi, Asai, Akira, Nakamura, Shinya, Nakanishi, Isao, Fujii, Nobutaka
Published in Bioorganic & medicinal chemistry (15.06.2014)
Published in Bioorganic & medicinal chemistry (15.06.2014)
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Journal Article
SDOVS: A solvent dipole ordering-based method for virtual screening
Murata, Katsumi, Nagata, Naoya, Nakanishi, Isao, Kitaura, Kazuo
Published in Journal of computational chemistry (30.11.2010)
Published in Journal of computational chemistry (30.11.2010)
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Journal Article
Ligand shape emerges in solvent dipole ordering region at ligand binding site of protein
Murata, Katsumi, Nagata, Naoya, Nakanishi, Isao, Kitaura, Kazuo
Published in Journal of computational chemistry (01.03.2010)
Published in Journal of computational chemistry (01.03.2010)
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