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2ZJW
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BU of 2zjw by Molmil
Crystal structure of human CK2 alpha complexed with Ellagic acid
分子名称: 2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione, Casein kinase II subunit alpha
著者Sekiguchi, Y, Kinoshita, T, Nakaniwa, T, Tada, T.
登録日2008-03-11
公開日2009-03-17
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural insight into human CK2alpha in complex with the potent inhibitor ellagic acid
Bioorg.Med.Chem.Lett., 19, 2009
3AMY
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BU of 3amy by Molmil
Crystal structure of human CK2 alpha complexed with apigenin
分子名称: 1,2-ETHANEDIOL, 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, Casein kinase II subunit alpha
著者Sekiguchi, Y, Nakaniwa, T, Kinoshita, T, Tada, T.
登録日2010-08-25
公開日2011-10-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of human CK2 alpha complexed with apigenin
To be Published
3WAR
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BU of 3war by Molmil
Crystal structure of human CK2a
分子名称: 1,2-ETHANEDIOL, Casein kinase II subunit alpha, NICOTINIC ACID
著者Kinoshita, T, Nakaniwa, T, Sekiguchi, Y, Sogabe, Y, Sakurai, A, Nakamura, S, Nakanishi, I.
登録日2013-05-07
公開日2013-10-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Crystal structure of human CK2 alpha at 1.06 angstrom resolution
J.SYNCHROTRON RADIAT., 20, 2013
3WOW
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BU of 3wow by Molmil
Crystal structure of human CK2a with AMPPNP
分子名称: 1,2-ETHANEDIOL, Casein kinase II subunit alpha, MAGNESIUM ION, ...
著者Kinoshita, T, Nakaniwa, T, Sekiguchi, Y, Sogabe, Y, Sakurai, A, Nakamura, S, Nakanishi, I, Shimada, K, Tanaka, M.
登録日2014-01-06
公開日2015-02-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A hydrophobic residue divergence of CK2a contribute to a species-dependent variation for apigenin binding mode but not for an ATP analogue
To be Published
3X2S
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BU of 3x2s by Molmil
Crystal structure of pyrene-conjugated adenylate kinase
分子名称: Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ...
著者Fujii, A, Sekiguchi, Y, Matsumura, H, Inoue, T, Chung, W.-S, Hirota, S, Matsuo, T.
登録日2014-12-31
公開日2015-04-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Excimer Emission Properties on Pyrene-Labeled Protein Surface: Correlation between Emission Spectra, Ring Stacking Modes, and Flexibilities of Pyrene Probes.
Bioconjug.Chem., 26, 2015
3E3B
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BU of 3e3b by Molmil
Crystal structure of catalytic subunit of human protein kinase CK2alpha prime with a potent indazole-derivative inhibitor
分子名称: Casein kinase II subunit alpha', [1-(6-{6-[(1-methylethyl)amino]-1H-indazol-1-yl}pyrazin-2-yl)-1H-pyrrol-3-yl]acetic acid
著者Kinoshita, T, Nakaniwa, T, Tada, T.
登録日2008-08-07
公開日2009-03-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure of human protein kinase CK2alpha2 with a potent indazole-derivative inhibitor
Acta Crystallogr.,Sect.F, 65, 2009
7D83
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BU of 7d83 by Molmil
Crystal structure of HIV-1 integrase catalytic core domain in complex with 2-(tert-butoxy)-2-(2-(3-cyclohexylureido)-3,6-dimethyl-5-(5-methylchroman-6-yl)pyridin-4-yl)acetic acid
分子名称: (2S)-2-[2-(cyclohexylcarbamoylamino)-3,6-dimethyl-5-(5-methyl-3,4-dihydro-2H-chromen-6-yl)pyridin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, SULFATE ION
著者Sugiyama, S, Sekiguchi, Y.
登録日2020-10-07
公開日2021-01-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Discovery of novel HIV-1 integrase-LEDGF/p75 allosteric inhibitors based on a pyridine scaffold forming an intramolecular hydrogen bond.
Bioorg.Med.Chem.Lett., 33, 2020
5YFI
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BU of 5yfi by Molmil
Crystal structure of the anti-human prostaglandin E receptor EP4 antibody Fab fragment
分子名称: Heavy chain of Fab fragment, Light chain of Fab fragment, ZINC ION
著者Toyoda, Y, Morimoto, K, Suno, R, Horita, S, Iwata, S, Kobayashi, T.
登録日2017-09-21
公開日2018-12-05
最終更新日2019-03-06
実験手法X-RAY DIFFRACTION (1.848 Å)
主引用文献Ligand binding to human prostaglandin E receptor EP4at the lipid-bilayer interface.
Nat. Chem. Biol., 15, 2019
5YHL
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BU of 5yhl by Molmil
Crystal structure of the human prostaglandin E receptor EP4 in complex with Fab and an antagonist Br-derivative
分子名称: 4-[2-[[(2R)-2-(4-bromanylnaphthalen-1-yl)propanoyl]amino]-4-cyano-phenyl]butanoic acid, Heavy chain of Fab fragment, Light chain of Fab fragment, ...
著者Toyoda, Y, Morimoto, K, Suno, R, Horita, S, Iwata, S, Kobayashi, T.
登録日2017-09-28
公開日2018-12-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (4.2 Å)
主引用文献Ligand binding to human prostaglandin E receptor EP4at the lipid-bilayer interface.
Nat. Chem. Biol., 15, 2019
5YWY
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BU of 5ywy by Molmil
Crystal structure of the human prostaglandin E receptor EP4 in complex with Fab and ONO-AE3-208
分子名称: 4-[4-cyano-2-[[(2R)-2-(4-fluoranylnaphthalen-1-yl)propanoyl]amino]phenyl]butanoic acid, Heavy chain of Fab fragment, Light chain of Fab fragment, ...
著者Toyoda, Y, Morimoto, K, Suno, R, Horita, S, Iwata, S, Kobayashi, T.
登録日2017-11-30
公開日2018-12-05
最終更新日2018-12-19
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Ligand binding to human prostaglandin E receptor EP4at the lipid-bilayer interface.
Nat. Chem. Biol., 15, 2019
7WCE
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BU of 7wce by Molmil
Crystal structure of HIV-1 integrase catalytic core domain in complex with (2S)-2-(tert-Butoxy)-2-(10-fluoro-2-(2-hydroxy-4-methylphenyl)-1,4-dimethyl-5-(methylsulfonyl)-5,6-dihydrophenanthridin-3-yl)acetic acid
分子名称: (2S)-2-[10-fluoranyl-1,4-dimethyl-2-(4-methyl-2-oxidanyl-phenyl)-5-methylsulfonyl-6H-phenanthridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, GLYCEROL, Integrase catalytic, ...
著者Taoda, Y, Sekiguchi, Y.
登録日2021-12-20
公開日2022-09-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of tricyclic HIV-1 integrase-LEDGF/p75 allosteric inhibitors by intramolecular direct arylation reaction.
Bioorg.Med.Chem.Lett., 64, 2022
3AT4
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BU of 3at4 by Molmil
Crystal structure of CK2alpha with pyradine derivertive
分子名称: Casein kinase II subunit alpha, [1-(6-{6-[(1-methylethyl)amino]-1H-indazol-1-yl}pyrazin-2-yl)-1H-pyrrol-3-yl]acetic acid
著者Kinoshita, T.
登録日2010-12-23
公開日2011-11-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A detailed thermodynamic profile of cyclopentyl and isopropyl derivatives binding to CK2 kinase
Mol.Cell.Biochem., 356, 2011
3AT3
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BU of 3at3 by Molmil
Crystal structure of CK2alpha with pyradine derivative
分子名称: (1-{6-[6-(cyclopentylamino)-1H-indazol-1-yl]pyrazin-2-yl}-1H-pyrrol-3-yl)acetic acid, Casein kinase II subunit alpha
著者Kinoshita, T.
登録日2010-12-23
公開日2011-11-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A detailed thermodynamic profile of cyclopentyl and isopropyl derivatives binding to CK2 kinase
Mol.Cell.Biochem., 356, 2011
3AT2
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BU of 3at2 by Molmil
Crystal structure of CK2alpha
分子名称: 1,2-ETHANEDIOL, Casein kinase II subunit alpha
著者Kinoshita, T.
登録日2010-12-23
公開日2011-11-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A detailed thermodynamic profile of cyclopentyl and isopropyl derivatives binding to CK2 kinase
Mol.Cell.Biochem., 356, 2011
3WIK
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BU of 3wik by Molmil
Crystal structure of the CK2alpha/compound10 complex
分子名称: Casein kinase II subunit alpha, N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide
著者Kinoshita, T, Nakaniwa, T, Sekiguchi, Y, Nakanishi, I.
登録日2013-09-18
公開日2014-11-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.995 Å)
主引用文献Identification of protein kinase CK2 inhibitors using solvent dipole ordering virtual screening
To be Published

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件を2024-07-17に公開中

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