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5B1L
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BU of 5b1l by Molmil
The mouse nucleosome structure containing H3t
分子名称: CHLORIDE ION, DNA (146-MER), Histone H2A type 1, ...
著者Urahama, T, Machida, S, Horikoshi, N, Osakabe, A, Tachiwana, H, Taguchi, H, Kurumizaka, H.
登録日2015-12-08
公開日2017-02-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Testis-Specific Histone Variant H3t Gene Is Essential for Entry into Spermatogenesis
Cell Rep, 18, 2017
5B1M
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BU of 5b1m by Molmil
The mouse nucleosome structure containing H3.1
分子名称: DNA (146-MER), Histone H2A type 1, Histone H2B type 3-A, ...
著者Urahama, T, Machida, S, Horikoshi, N, Osakabe, A, Tachiwana, H, Taguchi, H, Kurumizaka, H.
登録日2015-12-08
公開日2017-02-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Testis-Specific Histone Variant H3t Gene Is Essential for Entry into Spermatogenesis
Cell Rep, 18, 2017
5AXQ
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BU of 5axq by Molmil
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
5AXP
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BU of 5axp by Molmil
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
5B3F
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BU of 5b3f by Molmil
Crystal structure of phosphoribulokinase from Methanospirillum hungatei
分子名称: Phosphoribulokinase/uridine kinase, SULFATE ION
著者Matsumura, H, Ashida, H.
登録日2016-02-22
公開日2017-01-18
最終更新日2020-02-26
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A RuBisCO-mediated carbon metabolic pathway in methanogenic archaea
Nat Commun, 8, 2017
7E0G
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BU of 7e0g by Molmil
Crystal structure of Lysine Specific Demethylase 1 (LSD1) with TAK-418, FAD-adduct
分子名称: GLYCEROL, IMIDAZOLE, Lysine-specific histone demethylase 1A, ...
著者Oki, H.
登録日2021-01-28
公開日2021-03-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献LSD1 enzyme inhibitor TAK-418 unlocks aberrant epigenetic machinery and improves autism symptoms in neurodevelopmental disorder models.
Sci Adv, 7, 2021
6JOU
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BU of 6jou by Molmil
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
7F3O
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BU of 7f3o by Molmil
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
7XW8
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BU of 7xw8 by Molmil
Crystal structure of Lysine Specific Demethylase 1 (LSD1) with TAK-418 distomer, FAD-adduct
分子名称: GLYCEROL, Lysine-specific histone demethylase 1A, MAGNESIUM ION, ...
著者Oki, H.
登録日2022-05-26
公開日2022-10-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Design, synthesis, and structure-activity relationship of TAK-418 and its derivatives as a novel series of LSD1 inhibitors with lowered risk of hematological side effects.
Eur.J.Med.Chem., 239, 2022
3WYM
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BU of 3wym by Molmil
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
3WYK
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BU of 3wyk by Molmil
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
3WYL
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BU of 3wyl by Molmil
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
2ZDT
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BU of 2zdt by Molmil
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
2ZDU
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BU of 2zdu by Molmil
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
3VXV
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BU of 3vxv by Molmil
Crystal structure of methyl CpG Binding Domain of MBD4 in complex with the 5mCG/TG sequence
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DNA (5'-D(*GP*TP*CP*AP*CP*TP*AP*CP*(5CM)P*GP*GP*AP*CP*A)-3'), ...
著者Otani, J, Arita, K, Kato, T, Kinoshita, M, Ariyoshi, M, Shirakawa, M.
登録日2012-09-21
公開日2013-01-16
最終更新日2013-08-14
実験手法X-RAY DIFFRACTION (2 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
3VYB
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BU of 3vyb by Molmil
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
3VXX
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BU of 3vxx by Molmil
Crystal structure of methyl CpG binding domain of MBD4 in complex with the 5mCG/5mCG sequence
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DNA (5'-D(*GP*TP*CP*(5CM)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2012-09-21
公開日2013-01-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.204 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
3VYQ
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BU of 3vyq by Molmil
Crystal structure of the methyl CpG Binding Domain of MBD4 in complex with the 5mCG/TG sequence in space group P1
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*AP*CP*AP*TP*CP*(5CM)P*GP*GP*TP*GP*A)-3'), DNA (5'-D(*TP*CP*AP*CP*TP*GP*GP*AP*TP*GP*T)-3'), ...
著者Otani, J, Arita, K, Kato, T, Kinoshita, M, Ariyoshi, M, Shirakawa, M.
登録日2012-10-02
公開日2013-01-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.525 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
3B2G
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BU of 3b2g by Molmil
Leptolyngbya boryana Ferredoxin
分子名称: FE2/S2 (INORGANIC) CLUSTER, Ferredoxin-1
著者Kurisu, G, Hase, T.
登録日2011-08-01
公開日2012-06-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献A new structural insight into differential interaction of cyanobacterial and plant ferredoxins with nitrite reductase as revealed by NMR and X-ray crystallographic studies
J.Biochem., 151, 2012
3B2F
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BU of 3b2f by Molmil
Maize Ferredoxin 1
分子名称: FE2/S2 (INORGANIC) CLUSTER, Ferredoxin-1, chloroplastic
著者Kurisu, G, Hase, T.
登録日2011-08-01
公開日2012-06-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A new structural insight into differential interaction of cyanobacterial and plant ferredoxins with nitrite reductase as revealed by NMR and X-ray crystallographic studies
J.Biochem., 151, 2012
5Z23
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BU of 5z23 by Molmil
Crystal structure of the nucleosome containing a chimeric histone H3/CENP-A CATD
分子名称: DNA (146-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
著者Arimura, Y, Tachiwana, H, Takagi, H.
登録日2017-12-28
公開日2019-02-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献The CENP-A centromere targeting domain facilitates H4K20 monomethylation in the nucleosome by structural polymorphism.
Nat Commun, 10, 2019
5ZBX
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BU of 5zbx by Molmil
The crystal structure of the nucleosome containing histone H3.1 CATD(V76Q, K77D)
分子名称: CHLORIDE ION, DNA (146-MER), Histone H2A type 1-B/E, ...
著者Arimura, Y, Takagi, H, Kurumizaka, H.
登録日2018-02-13
公開日2019-02-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献The CENP-A centromere targeting domain facilitates H4K20 monomethylation in the nucleosome by structural polymorphism.
Nat Commun, 10, 2019
5XM0
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BU of 5xm0 by Molmil
The mouse nucleosome structure containing H2A, H2B type3-A, H3.3, and H4
分子名称: DNA (146-MER), Histone H2A type 1-B, Histone H2B type 3-A, ...
著者Taguchi, H, Horikoshi, N, Kurumizaka, H.
登録日2017-05-12
公開日2018-03-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.874 Å)
主引用文献Histone H3.3 sub-variant H3mm7 is required for normal skeletal muscle regeneration.
Nat Commun, 9, 2018
5X7X
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BU of 5x7x by Molmil
The crystal structure of the nucleosome containing H3.3 at 2.18 angstrom resolution
分子名称: CHLORIDE ION, DNA (146-MER), Histone H2A type 1-B/E, ...
著者Arimura, Y, Taguchi, H, Kurumizaka, H.
登録日2017-02-27
公開日2017-04-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.184 Å)
主引用文献Crystal Structure and Characterization of Novel Human Histone H3 Variants, H3.6, H3.7, and H3.8
Biochemistry, 56, 2017
5XM1
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The mouse nucleosome structure containing H2A, H2B type3-A, H3mm7, and H4
分子名称: DNA (146-MER), Histone H2A type 1-B, Histone H2B type 3-A, ...
著者Taguchi, H, Horikoshi, N, Kurumizaka, H.
登録日2017-05-12
公開日2018-03-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献Histone H3.3 sub-variant H3mm7 is required for normal skeletal muscle regeneration.
Nat Commun, 9, 2018

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