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1QR3
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BU of 1qr3 by Molmil
Structure of porcine pancreatic elastase in complex with FR901277, a novel macrocyclic inhibitor of elastases at 1.6 angstrom resolution
分子名称: CALCIUM ION, Chymotrypsin-like elastase family member 1, FR901277 Inhibitor, ...
著者Nakanishi, I, Kinoshita, T, Sato, A, Tada, T.
登録日1999-06-18
公開日2000-06-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of porcine pancreatic elastase complexed with FR901277, a novel macrocyclic inhibitor of elastases, at 1.6 A resolution.
Biopolymers, 53, 2000
3WIL
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BU of 3wil by Molmil
Crystal structure of the CK2alpha/compound3 complex
分子名称: Casein kinase II subunit alpha, {[(2Z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetic acid
著者Kinoshita, T, Nakanishi, I.
登録日2013-09-18
公開日2014-09-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Identification of protein kinase CK2 inhibitors using solvent dipole ordering virtual screening
To be Published
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
5B0X
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BU of 5b0x by Molmil
Crystal structure of the CK2a/benzoic acid derivative complex
分子名称: 4-[2-[(4-methoxyphenyl)carbonylamino]-1,3-thiazol-5-yl]benzoic acid, Casein kinase II subunit alpha
著者Kinoshita, T, Nakanishi, I.
登録日2015-11-13
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-activity relationship study of 4-(thiazol-5-yl)benzoic acid derivatives as potent protein kinase CK2 inhibitors
Bioorg.Med.Chem., 24, 2016
293D
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BU of 293d by Molmil
INTERACTION BETWEEN THE LEFT-HANDED Z-DNA AND POLYAMINE-2: THE CRYSTAL STRUCTURE OF THE D(CG)3 AND SPERMIDINE COMPLEX
分子名称: DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), MAGNESIUM ION, SODIUM ION, ...
著者Ohishi, H, Nakanishi, I, Inubushi, K, Van Der Marel, G.A, Van Boom, J.H, Rich, A, Wang, A.H.-J, Hakoshima, T, Tomita, K.
登録日1996-10-09
公開日1996-12-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Interaction between the left-handed Z-DNA and polyamine-2. The crystal structure of the d(CG)3 and spermidine complex.
FEBS Lett., 391, 1996
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
336D
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BU of 336d by Molmil
INTERACTION BETWEEN LEFT-HANDED Z-DNA AND POLYAMINE-3 THE CRYSTAL STRUCTURE OF THE D(CG)3 AND THERMOSPERMINE COMPLEX
分子名称: DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), MAGNESIUM ION, N-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)-1,4-DIAMINOBUTANE
著者Ohishi, H, Terasoma, N, Nakanishi, I, Van Der Marel, G, Van Boom, J.H, Rich, A, Wang, A.H.-J, Hakoshima, T, Tomita, K.-I.
登録日1997-06-24
公開日1998-04-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Interaction between left-handed Z-DNA and polyamine - 3. The crystal structure of the d(CG)3 and thermospermine complex.
FEBS Lett., 398, 1996
3AXW
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BU of 3axw by Molmil
Crystal structure of human CK2alpha complexed with a potent inhibitor
分子名称: 4-(5-amino-1,3,4-thiadiazol-2-yl)benzoic acid, Casein kinase II subunit alpha
著者Kinoshita, T, Nakanishi, I.
登録日2011-04-18
公開日2012-04-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-Based Design of Novel Potent Protein Kinase CK2 (CK2) Inhibitors with Phenyl-azole Scaffolds
J.Med.Chem., 55, 2012
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
6IYL
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BU of 6iyl by Molmil
The structure of EntE with 3-cyanobenzoyl adenylate analog
分子名称: 2,3-dihydroxybenzoate-AMP ligase component of enterobactin synthase multienzyme complex, 5'-O-[(3-cyanobenzene-1-carbonyl)sulfamoyl]adenosine
著者Miyanaga, A, Ishikawa, F.
登録日2018-12-17
公開日2019-04-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献An Engineered Aryl Acid Adenylation Domain with an Enlarged Substrate Binding Pocket.
Angew.Chem.Int.Ed.Engl., 58, 2019
6IYK
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BU of 6iyk by Molmil
The structure of EntE with 2-nitrobenzoyl adenylate analog
分子名称: 2,3-dihydroxybenzoate-AMP ligase component of enterobactin synthase multienzyme complex, 5'-O-[(2-nitrobenzene-1-carbonyl)sulfamoyl]adenosine
著者Miyanaga, A, Ishikawa, F.
登録日2018-12-17
公開日2019-04-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献An Engineered Aryl Acid Adenylation Domain with an Enlarged Substrate Binding Pocket.
Angew.Chem.Int.Ed.Engl., 58, 2019
6JWA
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BU of 6jwa by Molmil
Crystal structure of CK2a1 with 5-iodotubercidin
分子名称: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 1,2-ETHANEDIOL, Casein kinase II subunit alpha
著者Tsuyuguchi, M, Kinoshita, T.
登録日2019-04-19
公開日2019-07-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.781 Å)
主引用文献A promiscuous kinase inhibitor delineates the conspicuous structural features of protein kinase CK2a1.
Acta Crystallogr.,Sect.F, 75, 2019
6L1Z
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BU of 6l1z by Molmil
Crystal structure of CK2a1 with hematein
分子名称: (6aR)-3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one, Casein Kinase 2 subunit alpha
著者Tsuyuguchi, M, Kinoshita, T.
登録日2019-10-02
公開日2020-02-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.90820944 Å)
主引用文献Structural insights for producing CK2 alpha 1-specific inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
6L21
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BU of 6l21 by Molmil
Crystal structure of CK2a1 H160A with hematein
分子名称: (6aR)-3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one, Casein kinase II subunit alpha
著者Tsuyuguchi, M, Kinoshita, T.
登録日2019-10-02
公開日2020-02-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.05451775 Å)
主引用文献Structural insights for producing CK2 alpha 1-specific inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
6L20
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BU of 6l20 by Molmil
Crystal structure of CK2a2 with hematein
分子名称: (6aR)-3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one, CHLORIDE ION, Casein kinase II subunit alpha'
著者Tsuyuguchi, M, Kinoshita, T.
登録日2019-10-02
公開日2020-02-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.08735132 Å)
主引用文献Structural insights for producing CK2 alpha 1-specific inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
6L24
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BU of 6l24 by Molmil
Crystal structure of CK2a1 H115Y/V116I with hematein
分子名称: (6aR)-3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one, Casein kinase II subunit alpha
著者Tsuyuguchi, M, Kinoshita, T.
登録日2019-10-02
公開日2020-02-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.400095 Å)
主引用文献Structural insights for producing CK2 alpha 1-specific inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
6L22
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BU of 6l22 by Molmil
Crystal structure of CK2a1 H115Y with hematein
分子名称: (6aR)-3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one, Casein kinase II subunit alpha
著者Tsuyuguchi, M, Kinoshita, T.
登録日2019-10-02
公開日2020-02-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.12318087 Å)
主引用文献Structural insights for producing CK2 alpha 1-specific inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
6L23
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BU of 6l23 by Molmil
Crystal structure of CK2a1 V116I with hematein
分子名称: (6aR)-3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one, 1,2-ETHANEDIOL, Casein kinase II subunit alpha
著者Tsuyuguchi, M, Kinoshita, T.
登録日2019-10-02
公開日2021-03-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.97449422 Å)
主引用文献Structural insights for producing CK2 alpha 1-specific inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
1KRM
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BU of 1krm by Molmil
Crystal structure of bovine adenosine deaminase complexed with 6-hydroxyl-1,6-dihydropurine riboside
分子名称: 6-HYDROXY-1,6-DIHYDRO PURINE NUCLEOSIDE, ZINC ION, adenosine deaminase
著者Kinoshita, T.
登録日2002-01-10
公開日2003-01-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of bovine adenosine deaminase complexed with 6-hydroxy-1,6-dihydropurine riboside.
Acta Crystallogr.,Sect.D, 59, 2003
1MMJ
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BU of 1mmj by Molmil
Porcine pancreatic elastase complexed with a potent peptidyl inhibitor, FR136706
分子名称: 2-[4-[[(S)-1-[[(S)-2-[[(RS)-3,3,3-TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL]AMINOCARBONYL]PYRROLIDIN-1-YL-]CARBONYL]-2-METHYLPROPYL]AMINOCARBONYL]BENZOYLAMINO]ACETIC ACID, CALCIUM ION, SULFATE ION, ...
著者Kinoshita, T.
登録日2002-09-04
公開日2002-12-23
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献True interaction mode of porcine pancreatic elastase with FR136706, a potent peptidyl inhibitor
Bioorg.Med.Chem.Lett., 13, 2003
1NDV
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BU of 1ndv by Molmil
Crystal Structure of Adenosine Deaminase complexed with FR117016
分子名称: Adenosine deaminase, N''-(4-(5-((1H-BENZIMIDAZOL-2-YLAMINO)METHYL)-2-THIENYL)-1,3-THIAZOL-2-YL)GUANIDINE, ZINC ION
著者Kinoshita, T.
登録日2002-12-09
公開日2003-12-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A highly potent non-nucleoside adenosine deaminase inhibitor: efficient drug discovery by intentional lead hybridization
J.Am.Chem.Soc., 126, 2004
1NDW
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BU of 1ndw by Molmil
Crystal Structure of Adenosine Deaminase Complexed with FR221647
分子名称: 1-((1R)-1-(HYDROXYMETHYL)-3-PHENYLPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE, Adenosine Deaminase, ZINC ION
著者Kinoshita, T.
登録日2002-12-09
公開日2003-12-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A highly potent non-nucleoside adenosine deaminase inhibitor: efficient drug discovery by intentional lead hybridization
J.Am.Chem.Soc., 126, 2004
1NDY
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BU of 1ndy by Molmil
Crystal Structure of Adenosine Deaminase Complexed with FR230513
分子名称: 1-((1R)-1-(HYDROXYMETHYL)-3-(1-NAPHTHYL)PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE, Adenosine Deaminase, ZINC ION
著者Kinoshita, T.
登録日2002-12-09
公開日2003-12-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A highly potent non-nucleoside adenosine deaminase inhibitor: efficient drug discovery by intentional lead hybridization
J.Am.Chem.Soc., 126, 2004
1NDZ
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BU of 1ndz by Molmil
Crystal Structure of Adenosine Deaminase Complexed with FR235999
分子名称: 1-((1R)-1-(HYDROXYMETHYL)-3-(6-((3-(1-METHYL-1H-BENZIMIDAZOL-2-YL)PROPANOYL)AMINO)-1H-INDOL-1-YL)PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE, Adenosine Deaminase, ZINC ION
著者Kinoshita, T.
登録日2002-12-09
公開日2003-12-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A highly potent non-nucleoside adenosine deaminase inhibitor: efficient drug discovery by intentional lead hybridization
J.Am.Chem.Soc., 126, 2004

 

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