5B1L
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![BU of 5b1l by Molmil](/molmil-images/mine/5b1l) | The mouse nucleosome structure containing H3t | Descriptor: | CHLORIDE ION, DNA (146-MER), Histone H2A type 1, ... | Authors: | Urahama, T, Machida, S, Horikoshi, N, Osakabe, A, Tachiwana, H, Taguchi, H, Kurumizaka, H. | Deposit date: | 2015-12-08 | Release date: | 2017-02-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Testis-Specific Histone Variant H3t Gene Is Essential for Entry into Spermatogenesis Cell Rep, 18, 2017
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5B1M
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![BU of 5b1m by Molmil](/molmil-images/mine/5b1m) | The mouse nucleosome structure containing H3.1 | Descriptor: | DNA (146-MER), Histone H2A type 1, Histone H2B type 3-A, ... | Authors: | Urahama, T, Machida, S, Horikoshi, N, Osakabe, A, Tachiwana, H, Taguchi, H, Kurumizaka, H. | Deposit date: | 2015-12-08 | Release date: | 2017-02-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Testis-Specific Histone Variant H3t Gene Is Essential for Entry into Spermatogenesis Cell Rep, 18, 2017
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5AXP
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![BU of 5axp by Molmil](/molmil-images/mine/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 | Descriptor: | 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, ... | Authors: | Oki, H, Zama, Y. | Deposit date: | 2015-07-31 | Release date: | 2015-11-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 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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5AXQ
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![BU of 5axq by Molmil](/molmil-images/mine/5axq) | Crystal structure of the catalytic domain of PDE10A complexed with highly potent and brain-penetrant PDE10A Inhibitor with 2-oxindole scaffold | Descriptor: | 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, ... | Authors: | Oki, H, Zama, Y. | Deposit date: | 2015-07-31 | Release date: | 2015-11-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | 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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6KXV
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![BU of 6kxv by Molmil](/molmil-images/mine/6kxv) | Crystal structure of a nucleosome containing Leishmania histone H3 | Descriptor: | DNA (146-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | Authors: | Dacher, M, Taguchi, H, Kujirai, T, Kurumizaka, H. | Deposit date: | 2019-09-13 | Release date: | 2020-07-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.63 Å) | Cite: | Incorporation and influence of Leishmania histone H3 in chromatin. Nucleic Acids Res., 47, 2019
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5B3F
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![BU of 5b3f by Molmil](/molmil-images/mine/5b3f) | |
6JOU
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![BU of 6jou by Molmil](/molmil-images/mine/6jou) | Crystal structure of the human nucleosome containing H2A.Z.1 S42R | Descriptor: | DNA (146-MER), Histone H2A.Z, Histone H2B type 1-J, ... | Authors: | Horikoshi, N, Sato, K, Mizukami, Y, Kurumizaka, H. | Deposit date: | 2019-03-23 | Release date: | 2020-03-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | 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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7D20
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![BU of 7d20 by Molmil](/molmil-images/mine/7d20) | Cryo-EM structure of SET8-CENP-A-nucleosome complex | Descriptor: | DNA (145-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | Authors: | Ho, C.-H, Takizawa, Y, Kobayashi, W, Arimura, Y, Kurumizaka, H. | Deposit date: | 2020-09-15 | Release date: | 2021-02-10 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis of nucleosomal histone H4 lysine 20 methylation by SET8 methyltransferase. Life Sci Alliance, 4, 2021
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7D1Z
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![BU of 7d1z by Molmil](/molmil-images/mine/7d1z) | Cryo-EM structure of SET8-nucleosome complex | Descriptor: | DNA (145-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | Authors: | Ho, C.-H, Takizawa, Y, Kobayashi, W, Arimura, Y, Kurumizaka, H. | Deposit date: | 2020-09-15 | Release date: | 2021-02-10 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.15 Å) | Cite: | 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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![BU of 7e0g by Molmil](/molmil-images/mine/7e0g) | |
7F3O
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![BU of 7f3o by Molmil](/molmil-images/mine/7f3o) | Crystal structure of the GluA2o LBD in complex with glutamate and TAK-653 | Descriptor: | 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, ... | Authors: | Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G. | Deposit date: | 2021-06-16 | Release date: | 2021-07-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | 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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3WYM
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![BU of 3wym by Molmil](/molmil-images/mine/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 | Descriptor: | 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, ... | Authors: | Oki, H, Hayano, Y. | Deposit date: | 2014-09-01 | Release date: | 2014-11-19 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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
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![BU of 3wyk by Molmil](/molmil-images/mine/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 | Descriptor: | 3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Oki, H, Hayano, Y. | Deposit date: | 2014-09-01 | Release date: | 2014-11-19 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 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
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![BU of 3wyl by Molmil](/molmil-images/mine/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 | Descriptor: | 5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Oki, H, Hayano, Y. | Deposit date: | 2014-09-01 | Release date: | 2014-11-19 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | 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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2ZDT
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![BU of 2zdt by Molmil](/molmil-images/mine/2zdt) | Crystal Structure of human JNK3 complexed with an isoquinolone inhibitor | Descriptor: | 4-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin-2(1H)-yl)methyl]benzoic acid, GLYCEROL, Mitogen-activated protein kinase 10 | Authors: | Sogabe, S, Asano, Y, Fukumoto, S, Habuka, N, Fujishima, A. | Deposit date: | 2007-11-27 | Release date: | 2008-09-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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
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![BU of 2zdu by Molmil](/molmil-images/mine/2zdu) | Crystal Structure of human JNK3 complexed with an isoquinolone inhibitor | Descriptor: | 4-[(4-{[6-bromo-3-(methoxycarbonyl)-1-oxo-4-phenylisoquinolin-2(1H)-yl]methyl}phenyl)amino]-4-oxobutanoic acid, Mitogen-activated protein kinase 10 | Authors: | Sogabe, S, Ohra, T, Itoh, F, Habuka, N, Fujishima, A. | Deposit date: | 2007-11-27 | Release date: | 2008-09-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery, synthesis and biological evaluation of isoquinolones as novel and highly selective JNK inhibitors (1) Bioorg.Med.Chem., 16, 2008
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3VYB
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![BU of 3vyb by Molmil](/molmil-images/mine/3vyb) | Crystal structure of methyl CpG binding domain of MBD4 in complex with the 5mCG/hmCG sequence | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DNA (5'-D(*GP*TP*CP*(5HC)P*GP*GP*TP*AP*GP*TP*GP*AP*CP*T)-3'), ... | Authors: | Otani, J, Arita, K, Kato, T, Kinoshita, M, Ariyoshi, M, Shirakawa, M. | Deposit date: | 2012-09-22 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 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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3VXV
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![BU of 3vxv by Molmil](/molmil-images/mine/3vxv) | Crystal structure of methyl CpG Binding Domain of MBD4 in complex with the 5mCG/TG sequence | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DNA (5'-D(*GP*TP*CP*AP*CP*TP*AP*CP*(5CM)P*GP*GP*AP*CP*A)-3'), ... | Authors: | Otani, J, Arita, K, Kato, T, Kinoshita, M, Ariyoshi, M, Shirakawa, M. | Deposit date: | 2012-09-21 | Release date: | 2013-01-16 | Last modified: | 2013-08-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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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3VXX
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![BU of 3vxx by Molmil](/molmil-images/mine/3vxx) | Crystal structure of methyl CpG binding domain of MBD4 in complex with the 5mCG/5mCG sequence | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DNA (5'-D(*GP*TP*CP*(5CM)P*GP*GP*TP*AP*GP*TP*GP*AP*CP*T)-3'), ... | Authors: | Otani, J, Arita, K, Kato, T, Kinoshita, M, Ariyoshi, M, Shirakawa, M. | Deposit date: | 2012-09-21 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.204 Å) | Cite: | 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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3VYQ
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![BU of 3vyq by Molmil](/molmil-images/mine/3vyq) | Crystal structure of the methyl CpG Binding Domain of MBD4 in complex with the 5mCG/TG sequence in space group P1 | Descriptor: | 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'), ... | Authors: | Otani, J, Arita, K, Kato, T, Kinoshita, M, Ariyoshi, M, Shirakawa, M. | Deposit date: | 2012-10-02 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.525 Å) | Cite: | 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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5Z23
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![BU of 5z23 by Molmil](/molmil-images/mine/5z23) | Crystal structure of the nucleosome containing a chimeric histone H3/CENP-A CATD | Descriptor: | DNA (146-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | Authors: | Arimura, Y, Tachiwana, H, Takagi, H. | Deposit date: | 2017-12-28 | Release date: | 2019-02-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | The CENP-A centromere targeting domain facilitates H4K20 monomethylation in the nucleosome by structural polymorphism. Nat Commun, 10, 2019
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5ZBX
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![BU of 5zbx by Molmil](/molmil-images/mine/5zbx) | The crystal structure of the nucleosome containing histone H3.1 CATD(V76Q, K77D) | Descriptor: | CHLORIDE ION, DNA (146-MER), Histone H2A type 1-B/E, ... | Authors: | Arimura, Y, Takagi, H, Kurumizaka, H. | Deposit date: | 2018-02-13 | Release date: | 2019-02-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | The CENP-A centromere targeting domain facilitates H4K20 monomethylation in the nucleosome by structural polymorphism. Nat Commun, 10, 2019
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5XM0
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![BU of 5xm0 by Molmil](/molmil-images/mine/5xm0) | The mouse nucleosome structure containing H2A, H2B type3-A, H3.3, and H4 | Descriptor: | DNA (146-MER), Histone H2A type 1-B, Histone H2B type 3-A, ... | Authors: | Taguchi, H, Horikoshi, N, Kurumizaka, H. | Deposit date: | 2017-05-12 | Release date: | 2018-03-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.874 Å) | Cite: | Histone H3.3 sub-variant H3mm7 is required for normal skeletal muscle regeneration. Nat Commun, 9, 2018
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5X7X
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![BU of 5x7x by Molmil](/molmil-images/mine/5x7x) | The crystal structure of the nucleosome containing H3.3 at 2.18 angstrom resolution | Descriptor: | CHLORIDE ION, DNA (146-MER), Histone H2A type 1-B/E, ... | Authors: | Arimura, Y, Taguchi, H, Kurumizaka, H. | Deposit date: | 2017-02-27 | Release date: | 2017-04-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.184 Å) | Cite: | Crystal Structure and Characterization of Novel Human Histone H3 Variants, H3.6, H3.7, and H3.8 Biochemistry, 56, 2017
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5XM1
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![BU of 5xm1 by Molmil](/molmil-images/mine/5xm1) | The mouse nucleosome structure containing H2A, H2B type3-A, H3mm7, and H4 | Descriptor: | DNA (146-MER), Histone H2A type 1-B, Histone H2B type 3-A, ... | Authors: | Taguchi, H, Horikoshi, N, Kurumizaka, H. | Deposit date: | 2017-05-12 | Release date: | 2018-03-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | Histone H3.3 sub-variant H3mm7 is required for normal skeletal muscle regeneration. Nat Commun, 9, 2018
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