1BGI
 
 | | ORTHORHOMBIC LYSOZYME CRYSTALLIZED AT HIGH TEMPERATURE (310K) | | 分子名称: | CHLORIDE ION, LYSOZYME | | 著者 | Oki, H, Matsuura, Y, Komatsu, H, Chernov, A.A. | | 登録日 | 1998-05-28 | | 公開日 | 1998-10-28 | | 最終更新日 | 2023-08-02 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Refined structure of orthorhombic lysozyme crystallized at high temperature: correlation between morphology and intermolecular contacts.
Acta Crystallogr.,Sect.D, 55, 1999
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7W63
 | | Crystal structure of minor pilin TcpB from Vibrio cholerae | | 分子名称: | SULFATE ION, Toxin-coregulated pilus biosynthesis protein B | | 著者 | Oki, H, Kawahara, K, Iimori, M, Imoto, Y, Maruno, T, Uchiyama, S, Muroga, Y, Yoshida, A, Yoshida, T, Ohkubo, T, Matsuda, S, Iida, T, Nakamura, S. | | 登録日 | 2021-12-01 | | 公開日 | 2022-11-09 | | 最終更新日 | 2022-11-16 | | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | | 主引用文献 | Structural basis for the toxin-coregulated pilus-dependent secretion of Vibrio cholerae colonization factor.
Sci Adv, 8, 2022
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7W65
 | | Crystal structure of minor pilin TcpB from Vibrio cholerae complexed with secreted protein TcpF | | 分子名称: | Toxin coregulated pilus biosynthesis protein F, Toxin-coregulated pilus biosynthesis protein B | | 著者 | Oki, H, Kawahara, K, Iimori, M, Imoto, Y, Maruno, T, Uchiyama, S, Muroga, Y, Yoshida, A, Yoshida, T, Ohkubo, T, Matsuda, S, Iida, T, Nakamura, S. | | 登録日 | 2021-12-01 | | 公開日 | 2022-11-09 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (4.05 Å) | | 主引用文献 | Structural basis for the toxin-coregulated pilus-dependent secretion of Vibrio cholerae colonization factor.
Sci Adv, 8, 2022
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7W64
 | | Crystal structure of minor pilin TcpB from Vibrio cholerae complexed with N-terminal peptide fragment of TcpF | | 分子名称: | CALCIUM ION, CHLORIDE ION, PENTAETHYLENE GLYCOL, ... | | 著者 | Oki, H, Kawahara, K, Iimori, M, Imoto, Y, Maruno, T, Uchiyama, S, Muroga, Y, Yoshida, A, Yoshida, T, Ohkubo, T, Matsuda, S, Iida, T, Nakamura, S. | | 登録日 | 2021-12-01 | | 公開日 | 2022-11-09 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural basis for the toxin-coregulated pilus-dependent secretion of Vibrio cholerae colonization factor.
Sci Adv, 8, 2022
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5YQ0
 | | Crystal structure of secreted protein CofJ from ETEC. | | 分子名称: | CALCIUM ION, CofJ | | 著者 | Oki, H, Kawahara, K, Maruno, T, Imai, T, Muroga, Y, Fukakusa, S, Iwashita, T, Kobayashi, Y, Matsuda, S, Kodama, T, Iida, T, Yoshida, T, Ohkubo, T, Nakamura, S. | | 登録日 | 2017-11-04 | | 公開日 | 2018-06-27 | | 最終更新日 | 2018-07-25 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Interplay of a secreted protein with type IVb pilus for efficient enterotoxigenicEscherichia colicolonization
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5YPZ
 | | Crystal structure of minor pilin CofB from CFA/III complexed with N-terminal peptide fragment of CofJ | | 分子名称: | CofB, CofJ | | 著者 | Oki, H, Kawahara, K, Maruno, T, Imai, T, Muroga, Y, Fukakusa, S, Iwashita, T, Kobayashi, Y, Matsuda, S, Kodama, T, Iida, T, Yoshida, T, Ohkubo, T, Nakamura, S. | | 登録日 | 2017-11-04 | | 公開日 | 2018-06-27 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3.521 Å) | | 主引用文献 | Interplay of a secreted protein with type IVb pilus for efficient enterotoxigenicEscherichia colicolonization.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7XW8
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5AXQ
 | | Crystal structure of the catalytic domain of PDE10A complexed with highly potent and brain-penetrant PDE10A Inhibitor with 2-oxindole scaffold | | 分子名称: | 1-(cyclopropylmethyl)-4-fluoranyl-5-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]-3,3-dimethyl-indol-2-one, 3-[3-fluoranyl-4-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one, MAGNESIUM ION, ... | | 著者 | Oki, H, Zama, Y. | | 登録日 | 2015-07-31 | | 公開日 | 2015-11-11 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Design and synthesis of a novel 2-oxindole scaffold as a highly potent and brain-penetrant phosphodiesterase 10A inhibitor
Bioorg.Med.Chem., 23, 2015
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5AXP
 | | Crystal structure of the catalytic domain of PDE10A complexed with 1-(2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl)-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one | | 分子名称: | 3-[3-fluoranyl-4-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one, MAGNESIUM ION, ZINC ION, ... | | 著者 | Oki, H, Zama, Y. | | 登録日 | 2015-07-31 | | 公開日 | 2015-11-11 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Design and synthesis of a novel 2-oxindole scaffold as a highly potent and brain-penetrant phosphodiesterase 10A inhibitor
Bioorg.Med.Chem., 23, 2015
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5B4O
 | | Crystal structure of Macrophage Migration Inhibitory Factor in complex with BTZO-14 | | 分子名称: | 1,2-ETHANEDIOL, 2-pyridin-3-yl-1,3-benzothiazin-4-one, Macrophage migration inhibitory factor, ... | | 著者 | Oki, H, Igaki, S, Moriya, Y, Hayano, Y, Habuka, N. | | 登録日 | 2016-04-07 | | 公開日 | 2016-04-20 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | | 主引用文献 | BTZO-1, a cardioprotective agent, reveals that macrophage migration inhibitory factor regulates ARE-mediated gene expression
Chem. Biol., 17, 2010
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5B5O
 | | Crystal structure of the catalytic domain of MMP-13 complexed with N-phenyl-4-((4H-1,2,4-triazol-3-ylsulfanyl)methyl)-1,3-thiazol-2-amine | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Collagenase 3, ... | | 著者 | Oki, H, Tanaka, Y. | | 登録日 | 2016-05-13 | | 公開日 | 2017-01-18 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Discovery of Novel, Highly Potent, and Selective Matrix Metalloproteinase (MMP)-13 Inhibitors with a 1,2,4-Triazol-3-yl Moiety as a Zinc Binding Group Using a Structure-Based Design Approach
J. Med. Chem., 60, 2017
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5B5P
 | | Crystal structure of the catalytic domain of MMP-13 complexed with 4-oxo-N-(3-(2-(1H-1,2,4-triazol-3-ylsulfanyl)ethoxy)benzyl)-3,4-dihydroquinazoline-2-carboxamide | | 分子名称: | 4-oxo-N-{3-[2-(1H-1,2,4-triazol-3-ylsulfanyl)ethoxy]benzyl}-3,4-dihydroquinazoline-2-carboxamide, CALCIUM ION, Collagenase 3, ... | | 著者 | Oki, H, Tanaka, Y. | | 登録日 | 2016-05-13 | | 公開日 | 2017-01-18 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Discovery of Novel, Highly Potent, and Selective Matrix Metalloproteinase (MMP)-13 Inhibitors with a 1,2,4-Triazol-3-yl Moiety as a Zinc Binding Group Using a Structure-Based Design Approach
J. Med. Chem., 60, 2017
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7E0G
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5B4L
 | | Crystal structure of the catalytic domain of human PDE10A complexed with 1-(cyclopropylmethyl)-5-(2-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-1-yl)ethoxy)-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one | | 分子名称: | 1-(cyclopropylmethyl)-5-(2-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-1-yl)ethoxy)-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one, MAGNESIUM ION, ZINC ION, ... | | 著者 | Oki, H, Zama, Y. | | 登録日 | 2016-04-05 | | 公開日 | 2016-06-29 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Design and synthesis of potent and selective pyridazin-4(1H)-one-based PDE10A inhibitors interacting with Tyr683 in the PDE10A selectivity pocket
Bioorg.Med.Chem., 24, 2016
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5B4K
 | | Crystal structure of the catalytic domain of human PDE10A complexed with N-(4-((5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy)phenyl)-1H-benzimidazol-2-amine | | 分子名称: | MAGNESIUM ION, N-(4-((5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy)phenyl)-1H-benzimidazol-2-amine, ZINC ION, ... | | 著者 | Oki, H, Zama, Y. | | 登録日 | 2016-04-05 | | 公開日 | 2016-06-29 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Design and synthesis of potent and selective pyridazin-4(1H)-one-based PDE10A inhibitors interacting with Tyr683 in the PDE10A selectivity pocket
Bioorg.Med.Chem., 24, 2016
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3WV2
 | | Crystal structure of the catalytic domain of MMP-13 complexed with N-(3-methoxybenzyl)-4-oxo-3,4-dihydroquinazoline-2-carboxamide | | 分子名称: | CALCIUM ION, Collagenase 3, N-(3-methoxybenzyl)-4-oxo-3,4-dihydroquinazoline-2-carboxamide, ... | | 著者 | Oki, H, Tanaka, Y. | | 登録日 | 2014-05-12 | | 公開日 | 2014-09-24 | | 最終更新日 | 2022-08-24 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Thieno[2,3-d]pyrimidine-2-carboxamides bearing a carboxybenzene group at 5-position: highly potent, selective, and orally available MMP-13 inhibitors interacting with the S1′′ binding site.
Bioorg.Med.Chem., 22, 2014
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3WV3
 | | Crystal structure of the catalytic domain of MMP-13 complexed with N-(3-methoxybenzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-2-carboxamide | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Collagenase 3, ... | | 著者 | Oki, H, Tanaka, Y. | | 登録日 | 2014-05-12 | | 公開日 | 2014-09-24 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Thieno[2,3-d]pyrimidine-2-carboxamides bearing a carboxybenzene group at 5-position: highly potent, selective, and orally available MMP-13 inhibitors interacting with the S1′′ binding site.
Bioorg.Med.Chem., 22, 2014
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3WV1
 | | Crystal structure of the catalytic domain of MMP-13 complexed with 4-(2-((6-fluoro-2-((3-methoxybenzyl)carbamoyl)-4-oxo-3,4-dihydroquinazolin-5-yl)oxy)ethyl)benzoic acid | | 分子名称: | 4-[2-({6-fluoro-2-[(3-methoxybenzyl)carbamoyl]-4-oxo-3,4-dihydroquinazolin-5-yl}oxy)ethyl]benzoic acid, CALCIUM ION, Collagenase 3, ... | | 著者 | Oki, H, Tanaka, Y. | | 登録日 | 2014-05-12 | | 公開日 | 2015-05-20 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Discovery of novel, highly potent, and selective quinazoline-2-carboxamide-based matrix metalloproteinase (MMP)-13 inhibitors without a zinc binding group using a structure-based design approach
J.Med.Chem., 57, 2014
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3VO3
 | | Crystal Structure of the Kinase domain of Human VEGFR2 with imidazo[1,2-b]pyridazine derivative | | 分子名称: | 1,2-ETHANEDIOL, N-[3-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide, Vascular endothelial growth factor receptor 2 | | 著者 | Oki, H, Okada, K. | | 登録日 | 2012-01-19 | | 公開日 | 2013-03-06 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | Discovery of N-[5-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)-2-methylphenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide (TAK-593), a highly potent VEGFR2 kinase inhibitor
Bioorg.Med.Chem., 21, 2013
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3WYM
 | | Crystal structure of the catalytic domain of PDE10A complexed with 1-(2-fluoro-4-(1H-pyrazol-1-yl)phenyl)-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one | | 分子名称: | 1-[2-fluoro-4-(1H-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one, MAGNESIUM ION, ZINC ION, ... | | 著者 | Oki, H, Hayano, Y. | | 登録日 | 2014-09-01 | | 公開日 | 2014-11-19 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of 1-[2-fluoro-4-(1H-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one (TAK-063), a highly potent, selective, and orally active phosphodiesterase 10A (PDE10A) inhibitor.
J.Med.Chem., 57, 2014
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3WYK
 | | Crystal structure of the catalytic domain of PDE10A complexed with 3-(1-phenyl-1H-pyrazol-5-yl)-1-(3-(trifluoromethyl)phenyl)pyridazin-4(1H)-one | | 分子名称: | 3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-one, MAGNESIUM ION, ZINC ION, ... | | 著者 | Oki, H, Hayano, Y. | | 登録日 | 2014-09-01 | | 公開日 | 2014-11-19 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Discovery of 1-[2-fluoro-4-(1H-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one (TAK-063), a highly potent, selective, and orally active phosphodiesterase 10A (PDE10A) inhibitor.
J.Med.Chem., 57, 2014
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3WYL
 | | Crystal structure of the catalytic domain of PDE10A complexed with 5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)-1-(3-(trifluoromethyl)phenyl)pyridazin-4(1H)-one | | 分子名称: | 5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-one, MAGNESIUM ION, ZINC ION, ... | | 著者 | Oki, H, Hayano, Y. | | 登録日 | 2014-09-01 | | 公開日 | 2014-11-19 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | Discovery of 1-[2-fluoro-4-(1H-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one (TAK-063), a highly potent, selective, and orally active phosphodiesterase 10A (PDE10A) inhibitor.
J.Med.Chem., 57, 2014
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5XKM
 | | Crystal structure of human phosphodiesterase 2A in complex with 6-methyl-N-(1-(4-(trifluoromethoxy)phenyl)propyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide | | 分子名称: | 6-methyl-N-[(1R)-1-[4-(trifluoromethyloxy)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, MAGNESIUM ION, ZINC ION, ... | | 著者 | Oki, H, Kondo, M, Snell, G, Lane, W. | | 登録日 | 2017-05-08 | | 公開日 | 2017-08-16 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | Discovery of an Orally Bioavailable, Brain-Penetrating, in Vivo Active Phosphodiesterase 2A Inhibitor Lead Series for the Treatment of Cognitive Disorders.
J. Med. Chem., 60, 2017
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3VNT
 | | Crystal Structure of the Kinase domain of Human VEGFR2 with a [1,3]thiazolo[5,4-b]pyridine derivative | | 分子名称: | 1,2-ETHANEDIOL, 2-chloro-3-(1-cyanocyclopropyl)-N-[5-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-2-fluorophenyl]benzamide, Vascular endothelial growth factor receptor 2 | | 著者 | Oki, H. | | 登録日 | 2012-01-17 | | 公開日 | 2012-04-11 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Design and synthesis of novel DFG-out RAF/vascular endothelial growth factor receptor 2 (VEGFR2) inhibitors. 1. Exploration of [5,6]-fused bicyclic scaffolds
J.Med.Chem., 55, 2012
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4U4P
 | | Crystal structure of the human condensin SMC hinge domain heterodimer with short coiled coils | | 分子名称: | Structural maintenance of chromosomes protein 2, Structural maintenance of chromosomes protein 4 | | 著者 | Uchiyama, S, Kawahara, K, Hosokawa, Y, Fukakusa, S, Oki, H, Nakamura, S, Noda, M, Takino, R, Miyahara, Y, Maruno, T, Kobayashi, Y, Ohkubo, T, Fukui, K. | | 登録日 | 2014-07-24 | | 公開日 | 2015-08-26 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Structural basis for dimer information and DNA recognition of human SMC proteins
to be published
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