6WKZ
 
 | | Cocomplex structure of Deoxyhypusine synthase with inhibitor 6-[(1R)-2-AMINO-1-PHENYLETHYL]-3-(PYRIDIN-3-YL)-4H,5H,6H,7H-THIENO[2,3-C]PYRIDIN-7-ONE | | 分子名称: | 6-[(1R)-2-amino-1-phenylethyl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one, Deoxyhypusine synthase | | 著者 | Klein, M.G, Ambrus-Aikelin, G. | | 登録日 | 2020-04-17 | | 公開日 | 2020-08-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | New Series of Potent Allosteric Inhibitors of Deoxyhypusine Synthase.
Acs Med.Chem.Lett., 11, 2020
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5Z30
 | | The crystal structure of the nucleosome containing a cancer-associated histone H2A.Z R80C mutant | | 分子名称: | CHLORIDE ION, DNA (146-MER), Histone H2A.Z, ... | | 著者 | Horikoshi, N, Arimura, Y, Kurumizaka, H. | | 登録日 | 2018-01-05 | | 公開日 | 2018-07-18 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Cancer-associated mutations of histones H2B, H3.1 and H2A.Z.1 affect the structure and stability of the nucleosome.
Nucleic Acids Res., 46, 2018
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3VNO
 | | Cytochrome P450SP alpha (CYP152B1) mutant R241E | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Fatty acid alpha-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Fujishiro, T, Shoji, O, Sugimoto, H, Shiro, Y, Watanabe, Y. | | 登録日 | 2012-01-17 | | 公開日 | 2013-02-06 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | A substrate-binding-state mimic of H2O2-dependent cytochrome P450 produced by one-point mutagenesis and peroxygenation of non-native substrates
Catalysis Science And Technology, 6, 2016
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3VTJ
 | | Cytochrome P450SP alpha (CYP152B1) mutant A245H | | 分子名称: | Fatty acid alpha-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Fujishiro, T, Shoji, O, Sugimoto, H, Shiro, Y, Watanabe, Y. | | 登録日 | 2012-05-30 | | 公開日 | 2013-06-05 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | | 主引用文献 | A substrate-binding-state mimic of H2O2-dependent cytochrome P450 produced by one-point mutagenesis and peroxygenation of non-native substrates
Catalysis Science And Technology, 6, 2016
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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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6KXV
 | | Crystal structure of a nucleosome containing Leishmania histone H3 | | 分子名称: | DNA (146-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | | 著者 | Dacher, M, Taguchi, H, Kujirai, T, Kurumizaka, H. | | 登録日 | 2019-09-13 | | 公開日 | 2020-07-22 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3.63 Å) | | 主引用文献 | Incorporation and influence of Leishmania histone H3 in chromatin.
Nucleic Acids Res., 47, 2019
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5ZG3
 | | Crystal structure of the GluA2o LBD in complex with glutamate and TAK-137 | | 分子名称: | 9-(4-phenoxyphenyl)-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione, ACETATE ION, GLUTAMIC ACID, ... | | 著者 | Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G. | | 登録日 | 2018-03-07 | | 公開日 | 2019-01-16 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window.
Neuropsychopharmacology, 44, 2019
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5ZG2
 | | Crystal structure of the GluA2o LBD in complex with ZK200775 and Compound-2 | | 分子名称: | 9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide, ACETATE ION, GLYCEROL, ... | | 著者 | Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G. | | 登録日 | 2018-03-07 | | 公開日 | 2019-01-16 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window.
Neuropsychopharmacology, 44, 2019
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5ZG0
 | | Crystal structure of the GluA2o LBD in complex with glutamate and Compound-1 | | 分子名称: | 9-{4-[(propan-2-yl)oxy]phenyl}-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione, ACETATE ION, GLUTAMIC ACID, ... | | 著者 | Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G. | | 登録日 | 2018-03-07 | | 公開日 | 2019-01-16 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window.
Neuropsychopharmacology, 44, 2019
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7XW8
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5ZG1
 | | Crystal structure of the GluA2o LBD in complex with glutamate and Compound-2 | | 分子名称: | 9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide, GLUTAMIC ACID, GLYCEROL, ... | | 著者 | Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G. | | 登録日 | 2018-03-07 | | 公開日 | 2019-01-16 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | | 主引用文献 | TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window.
Neuropsychopharmacology, 44, 2019
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7F3O
 | | Crystal structure of the GluA2o LBD in complex with glutamate and TAK-653 | | 分子名称: | 7-(4-cyclohexyloxyphenyl)-9-methyl-4$l^{6}-thia-1$l^{4},5,8-triazabicyclo[4.4.0]deca-1(10),6,8-triene 4,4-dioxide, ACETATE ION, GLUTAMIC ACID, ... | | 著者 | Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G. | | 登録日 | 2021-06-16 | | 公開日 | 2021-07-28 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Strictly regulated agonist-dependent activation of AMPA-R is the key characteristic of TAK-653 for robust synaptic responses and cognitive improvement.
Sci Rep, 11, 2021
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7D20
 | | Cryo-EM structure of SET8-CENP-A-nucleosome complex | | 分子名称: | DNA (145-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | | 著者 | Ho, C.-H, Takizawa, Y, Kobayashi, W, Arimura, Y, Kurumizaka, H. | | 登録日 | 2020-09-15 | | 公開日 | 2021-02-10 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structural basis of nucleosomal histone H4 lysine 20 methylation by SET8 methyltransferase.
Life Sci Alliance, 4, 2021
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7D1Z
 | | Cryo-EM structure of SET8-nucleosome complex | | 分子名称: | DNA (145-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | | 著者 | Ho, C.-H, Takizawa, Y, Kobayashi, W, Arimura, Y, Kurumizaka, H. | | 登録日 | 2020-09-15 | | 公開日 | 2021-02-10 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.15 Å) | | 主引用文献 | Structural basis of nucleosomal histone H4 lysine 20 methylation by SET8 methyltransferase.
Life Sci Alliance, 4, 2021
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7E0G
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5W49
 | | The crystal structure of human S-adenosylhomocysteine hydrolase (AHCY) bound to oxadiazole inhibitor | | 分子名称: | (4-amino-1,2,5-oxadiazol-3-yl)[(3R)-3-{4-[(3-methoxyphenyl)amino]-6-methylpyridin-2-yl}pyrrolidin-1-yl]methanone, 1,2-ETHANEDIOL, Adenosylhomocysteinase, ... | | 著者 | Dougan, D.R, Lawson, J.D, Lane, W. | | 登録日 | 2017-06-09 | | 公開日 | 2017-06-28 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Identification of AHCY inhibitors using novel high-throughput mass spectrometry.
Biochem. Biophys. Res. Commun., 491, 2017
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5W4B
 | | The crystal structure of human S-adenosylhomocysteine hydrolase (AHCY) bound to benzothiazole inhibitor | | 分子名称: | 1,2-ETHANEDIOL, 4-[(2,5-dioxo-2,5-dihydro-1H-imidazol-1-yl)methyl]-N-[2-(morpholin-4-yl)-1,3-benzothiazol-6-yl]benzamide, Adenosylhomocysteinase, ... | | 著者 | Dougan, D.R, Lawson, J.D, Lane, W. | | 登録日 | 2017-06-09 | | 公開日 | 2017-06-28 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Identification of AHCY inhibitors using novel high-throughput mass spectrometry.
Biochem. Biophys. Res. Commun., 491, 2017
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6JOU
 | | Crystal structure of the human nucleosome containing H2A.Z.1 S42R | | 分子名称: | DNA (146-MER), Histone H2A.Z, Histone H2B type 1-J, ... | | 著者 | Horikoshi, N, Sato, K, Mizukami, Y, Kurumizaka, H. | | 登録日 | 2019-03-23 | | 公開日 | 2020-03-25 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | Structure-based design of an H2A.Z.1 mutant stabilizing a nucleosome in vitro and in vivo.
Biochem.Biophys.Res.Commun., 515, 2019
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2ZDT
 | | Crystal Structure of human JNK3 complexed with an isoquinolone inhibitor | | 分子名称: | 4-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin-2(1H)-yl)methyl]benzoic acid, GLYCEROL, Mitogen-activated protein kinase 10 | | 著者 | Sogabe, S, Asano, Y, Fukumoto, S, Habuka, N, Fujishima, A. | | 登録日 | 2007-11-27 | | 公開日 | 2008-09-23 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery, synthesis and biological evaluation of isoquinolones as novel and highly selective JNK inhibitors (2)
Bioorg.Med.Chem., 16, 2008
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2ZDU
 | | Crystal Structure of human JNK3 complexed with an isoquinolone inhibitor | | 分子名称: | 4-[(4-{[6-bromo-3-(methoxycarbonyl)-1-oxo-4-phenylisoquinolin-2(1H)-yl]methyl}phenyl)amino]-4-oxobutanoic acid, Mitogen-activated protein kinase 10 | | 著者 | Sogabe, S, Ohra, T, Itoh, F, Habuka, N, Fujishima, A. | | 登録日 | 2007-11-27 | | 公開日 | 2008-09-23 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Discovery, synthesis and biological evaluation of isoquinolones as novel and highly selective JNK inhibitors (1)
Bioorg.Med.Chem., 16, 2008
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5YE4
 | | Crystal structure of the complex of di-acetylated histone H4 and 1A9D7 Fab fragment | | 分子名称: | 1A9D7 L chain, 1A9D7 VH CH1 chain, ZINC ION, ... | | 著者 | Matsuda, T, Ito, T, Wakamori, M, Umehara, T. | | 登録日 | 2017-09-15 | | 公開日 | 2018-08-22 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.799 Å) | | 主引用文献 | JQ1 affects BRD2-dependent and independent transcription regulation without disrupting H4-hyperacetylated chromatin states.
Epigenetics, 13, 2018
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5YE3
 | | Crystal structure of the complex of di-acetylated histone H4 and 2A7D9 Fab fragment | | 分子名称: | 2A7D9 L chain, 2A7D9 VH CH1 chain, di-acetylated histone H4 | | 著者 | Matsuda, T, Ito, T, Wakamori, M, Umehara, T. | | 登録日 | 2017-09-15 | | 公開日 | 2018-08-22 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | JQ1 affects BRD2-dependent and independent transcription regulation without disrupting H4-hyperacetylated chromatin states.
Epigenetics, 13, 2018
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3VYB
 | | Crystal structure of methyl CpG binding domain of MBD4 in complex with the 5mCG/hmCG sequence | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, DNA (5'-D(*GP*TP*CP*(5HC)P*GP*GP*TP*AP*GP*TP*GP*AP*CP*T)-3'), ... | | 著者 | Otani, J, Arita, K, Kato, T, Kinoshita, M, Ariyoshi, M, Shirakawa, M. | | 登録日 | 2012-09-22 | | 公開日 | 2013-01-16 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural basis of the versatile DNA recognition ability of the methyl-CpG binding domain of methyl-CpG binding domain protein 4
J.Biol.Chem., 288, 2013
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