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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
2RV9
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BU of 2rv9 by Molmil
Solution structure of chitosan-binding module 1 derived from chitosanase/glucanase from Paenibacillus sp. IK-5
分子名称: Glucanase
著者Shinya, S, Nishimura, S, Fukamizo, T.
登録日2015-05-12
公開日2016-04-06
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Mechanism of chitosan recognition by CBM32 carbohydrate-binding modules from a Paenibacillus sp. IK-5 chitosanase/glucanase.
Biochem.J., 473, 2016
2RVA
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BU of 2rva by Molmil
Solution structure of chitosan-binding module 2 derived from chitosanase/glucanase from Paenibacillus sp. IK-5
分子名称: Glucanase
著者Shinya, S, Nishimura, S, Fukamizo, T.
登録日2015-05-13
公開日2016-04-06
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Mechanism of chitosan recognition by CBM32 carbohydrate-binding modules from a Paenibacillus sp. IK-5 chitosanase/glucanase.
Biochem.J., 473, 2016
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
4ZXE
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BU of 4zxe by Molmil
X-ray crystal structure of chitosan-binding module 1 derived from chitosanase/glucanase from Paenibacillus sp. IK-5.
分子名称: 1,2-ETHANEDIOL, Glucanase/Chitosanase, SULFATE ION
著者Shinya, S, Oi, H, Kitaoku, Y, Ohnuma, T, Numata, T, Fukamizo, T.
登録日2015-05-20
公開日2016-04-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Mechanism of chitosan recognition by CBM32 carbohydrate-binding modules from a Paenibacillus sp. IK-5 chitosanase/glucanase
Biochem.J., 473, 2016
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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BU of 5xm1 by Molmil
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
4ZZ8
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BU of 4zz8 by Molmil
X-ray crystal structure of chitosan-binding module 2 in complex with chitotriose derived from chitosanase/glucanase from Paenibacillus sp. IK-5
分子名称: 1,2-ETHANEDIOL, 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, Glucanase/chitosanase, ...
著者Shinya, S, Oi, H, Kitaoku, Y, Ohnuma, T, Numata, T, Fukamizo, T.
登録日2015-05-22
公開日2016-04-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Mechanism of chitosan recognition by CBM32 carbohydrate-binding modules from a Paenibacillus sp. IK-5 chitosanase/glucanase
Biochem.J., 473, 2016
4ZY9
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BU of 4zy9 by Molmil
X-ray crystal structure of selenomethionine-labelled V110M mutant of chitosan-binding module 1 derived from chitosanase/glucanase from Paenibacillus sp. IK-5
分子名称: Glucanase/chitosanase
著者Shinya, S, Oi, H, Kitaoku, Y, Ohnuma, T, Numata, T, Fukamizo, T.
登録日2015-05-21
公開日2016-04-13
最終更新日2020-02-19
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Mechanism of chitosan recognition by CBM32 carbohydrate-binding modules from a Paenibacillus sp. IK-5 chitosanase/glucanase
Biochem.J., 473, 2016
4ZZ5
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BU of 4zz5 by Molmil
X-ray crystal structure of chitosan-binding module 2 derived from chitosanase/glucanase from Paenibacillus sp. IK-5
分子名称: 1,2-ETHANEDIOL, Glucanase/chitosanase, SULFATE ION
著者Shinya, S, Oi, H, Kitaoku, Y, Ohnuma, T, Numata, T, Fukamizo, T.
登録日2015-05-22
公開日2016-04-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Mechanism of chitosan recognition by CBM32 carbohydrate-binding modules from a Paenibacillus sp. IK-5 chitosanase/glucanase
Biochem.J., 473, 2016
6P4V
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BU of 6p4v by Molmil
1.65 Angstrom ternary complex of Deoxyhypusine synthase with cofactor NAD and spermidine mimic inhibitor GC7
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-GUANIDINIUM-7-AMINOHEPTANE, Deoxyhypusine synthase, ...
著者Klein, M.G, Ambrus-Aikelin, G.
登録日2019-05-28
公開日2020-04-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery of Novel Allosteric Inhibitors of Deoxyhypusine Synthase.
J.Med.Chem., 63, 2020
6PGR
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BU of 6pgr by Molmil
Cocomplex structure of Deoxyhypusine synthase with inhibitor 6-BROMO-N-(1H-INDOL-4-YL)-1-BENZOTHIOPHENE-2-CARBOXAMIDE
分子名称: 6-bromo-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide, Deoxyhypusine synthase
著者Klein, M.G, Ambrus-Aikelin, G.
登録日2019-06-24
公開日2020-04-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of Novel Allosteric Inhibitors of Deoxyhypusine Synthase.
J.Med.Chem., 63, 2020
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
3VOO
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BU of 3voo by Molmil
Cytochrome P450SP alpha (CYP152B1) mutant A245E
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2012-01-31
公開日2013-02-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.34 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
3VNO
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BU of 3vno by Molmil
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
3VTJ
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BU of 3vtj by Molmil
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
5Y0D
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BU of 5y0d by Molmil
Crystal Structure of the human nucleosome containing the H2B E76K mutant
分子名称: CHLORIDE ION, DNA (146-MER), Histone H2A type 1-B/E, ...
著者Kurumizaka, H, Arimura, Y, Fujita, R, Noda, M.
登録日2017-07-16
公開日2018-07-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.99 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
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
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

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