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3W32
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EGFR kinase domain complexed with compound 20a
分子名称: 4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-N-[2-(methylsulfonyl)ethyl]-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide, Epidermal growth factor receptor, SULFATE ION
著者Sogabe, S, Kawakita, Y.
登録日2012-12-07
公開日2013-03-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design and synthesis of novel pyrimido[4,5-b]azepine derivatives as HER2/EGFR dual inhibitors
Bioorg.Med.Chem., 21, 2013
3W33
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EGFR kinase domain complexed with compound 19b
分子名称: 4-{[4-(1-benzothiophen-4-yloxy)-3-chlorophenyl]amino}-N-(2-hydroxyethyl)-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide, Epidermal growth factor receptor, SULFATE ION
著者Sogabe, S, Kawakita, Y.
登録日2012-12-07
公開日2013-03-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design and synthesis of novel pyrimido[4,5-b]azepine derivatives as HER2/EGFR dual inhibitors
Bioorg.Med.Chem., 21, 2013
3X0R
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BU of 3x0r by Molmil
DP ribose pyrophosphatase from Thermus thermophilus HB8 in E'-state at reaction time of 30 min
分子名称: ADP-ribose pyrophosphatase, GLYCEROL, MANGANESE (II) ION, ...
著者Furuike, Y, Akita, Y, Miyahara, I, Kamiya, N.
登録日2014-10-17
公開日2016-04-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献ADP-Ribose Pyrophosphatase Reaction in Crystalline State Conducted by Consecutive Binding of Two Manganese(II) Ions as Cofactors
Biochemistry, 55, 2016
3X0O
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ADP ribose pyrophosphatase from Thermus thermophilus HB8 in ESMM-state at reaction time of 10 min
分子名称: ADP-ribose pyrophosphatase, GLYCEROL, MANGANESE (II) ION, ...
著者Furuike, Y, Akita, Y, Miyahara, I, Kamiya, N.
登録日2014-10-17
公開日2016-04-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献ADP-Ribose Pyrophosphatase Reaction in Crystalline State Conducted by Consecutive Binding of Two Manganese(II) Ions as Cofactors
Biochemistry, 55, 2016
3X0J
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ADP ribose pyrophosphatase from Thermus thermophilus HB8 in apo state at 0.92 angstrom resolution
分子名称: ADP-ribose pyrophosphatase, GLYCEROL, SULFATE ION
著者Furuike, Y, Akita, Y, Miyahara, I, Kamiya, N.
登録日2014-10-16
公開日2016-04-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (0.92 Å)
主引用文献ADP-Ribose Pyrophosphatase Reaction in Crystalline State Conducted by Consecutive Binding of Two Manganese(II) Ions as Cofactors
Biochemistry, 55, 2016
3X0S
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ADP ribose pyrophosphatase from Thermus thermophilus HB8 in E'-state at reaction time of 50 min
分子名称: ADP-ribose pyrophosphatase, GLYCEROL, MANGANESE (II) ION, ...
著者Furuike, Y, Akita, Y, Miyahara, I, Kamiya, N.
登録日2014-10-17
公開日2016-04-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献ADP-Ribose Pyrophosphatase Reaction in Crystalline State Conducted by Consecutive Binding of Two Manganese(II) Ions as Cofactors
Biochemistry, 55, 2016
3X0K
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ADP ribose pyrophosphatase from Thermus thermophilus HB8 in ES-state at 0.97 angstrom resolution
分子名称: ADP-ribose pyrophosphatase, GLYCEROL, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
著者Furuike, Y, Akita, Y, Miyahara, I, Kamiya, N.
登録日2014-10-16
公開日2016-04-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献ADP-Ribose Pyrophosphatase Reaction in Crystalline State Conducted by Consecutive Binding of Two Manganese(II) Ions as Cofactors
Biochemistry, 55, 2016
3X0I
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ADP ribose pyrophosphatase in apo state at 0.91 angstrom resolution
分子名称: ADP-ribose pyrophosphatase, GLYCEROL, SULFATE ION
著者Furuike, Y, Akita, Y, Miyahara, I, Kamiya, N.
登録日2014-10-16
公開日2016-04-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (0.91 Å)
主引用文献ADP-Ribose Pyrophosphatase Reaction in Crystalline State Conducted by Consecutive Binding of Two Manganese(II) Ions as Cofactors
Biochemistry, 55, 2016
3X0M
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ADP ribose pyrophosphatase from Thermus thermophilus HB8 in ESM-state at reaction time of 3 min
分子名称: ADP-ribose pyrophosphatase, GLYCEROL, MANGANESE (II) ION, ...
著者Furuike, Y, Akita, Y, Miyahara, I, Kamiya, N.
登録日2014-10-17
公開日2016-04-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献ADP-Ribose Pyrophosphatase Reaction in Crystalline State Conducted by Consecutive Binding of Two Manganese(II) Ions as Cofactors
Biochemistry, 55, 2016
3X0N
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ADP ribose pyrophosphatase from Thermus thermophilus HB8 in ESM-state at reaction time of 6 min
分子名称: ADP-ribose pyrophosphatase, GLYCEROL, MANGANESE (II) ION, ...
著者Furuike, Y, Akita, Y, Miyahara, I, Kamiya, N.
登録日2014-10-17
公開日2016-04-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献ADP-Ribose Pyrophosphatase Reaction in Crystalline State Conducted by Consecutive Binding of Two Manganese(II) Ions as Cofactors
Biochemistry, 55, 2016
3X0P
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ADP ribose pyrophosphatase from Thermus thermophilus HB8 in ESMM-state at reaction time of 15 min
分子名称: ADP-ribose pyrophosphatase, GLYCEROL, MANGANESE (II) ION, ...
著者Furuike, Y, Akita, Y, Miyahara, I, Kamiya, N.
登録日2014-10-17
公開日2016-04-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献ADP-Ribose Pyrophosphatase Reaction in Crystalline State Conducted by Consecutive Binding of Two Manganese(II) Ions as Cofactors
Biochemistry, 55, 2016
3X0L
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BU of 3x0l by Molmil
ADP ribose pyrophosphatase from Thermus thermophilus HB8 in ES-state at 1.00 angstrom resolution
分子名称: ADP-ribose pyrophosphatase, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
著者Furuike, Y, Akita, Y, Miyahara, I, Kamiya, N.
登録日2014-10-17
公開日2016-04-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献ADP-Ribose Pyrophosphatase Reaction in Crystalline State Conducted by Consecutive Binding of Two Manganese(II) Ions as Cofactors
Biochemistry, 55, 2016
3X0Q
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BU of 3x0q by Molmil
ADP ribose pyrophosphatase from Thermus thermophilus HB8 in ESMM-state at reaction time of 20 min
分子名称: ADP-ribose pyrophosphatase, GLYCEROL, MANGANESE (II) ION, ...
著者Furuike, Y, Akita, Y, Miyahara, I, Kamiya, N.
登録日2014-10-17
公開日2016-04-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献ADP-Ribose Pyrophosphatase Reaction in Crystalline State Conducted by Consecutive Binding of Two Manganese(II) Ions as Cofactors
Biochemistry, 55, 2016
1WYB
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BU of 1wyb by Molmil
Structure of 6-aminohexanoate-dimer hydrolase
分子名称: 6-aminohexanoate-dimer hydrolase
著者Negoro, S, Ohki, T, Shibata, N, Mizuno, N, Wakitani, Y, Tsurukame, J, Matsumoto, K, Kawamoto, I, Takeo, M, Higuchi, Y.
登録日2005-02-09
公開日2005-09-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of 6-aminohexanoate-dimer hydrolase
To be Published
3W2S
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BU of 3w2s by Molmil
EGFR kinase domain with compound4
分子名称: 1-{3-[2-chloro-4-({5-[2-(2-hydroxyethoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phenoxy]phenyl}-3-cyclohexylurea, Epidermal growth factor receptor, SULFATE ION
著者Sogabe, S, Kawakita, Y, Igaki, S.
登録日2012-12-03
公開日2013-01-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors.
Acs Med.Chem.Lett., 4, 2013
3W2O
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EGFR Kinase domain T790M/L858R Mutant with TAK-285
分子名称: Epidermal growth factor receptor, N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide
著者Sogabe, S, Kawakita, Y, Igaki, S.
登録日2012-12-03
公開日2013-01-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors.
Acs Med.Chem.Lett., 4, 2013
3W2Q
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EGFR kinase domain T790M/L858R mutant with HKI-272
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide
著者Sogabe, S, Kawakita, Y, Igaki, S.
登録日2012-12-03
公開日2013-01-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors.
Acs Med.Chem.Lett., 4, 2013
3W2P
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EGFR Kinase domain T790M/L858R mutant with compound 2
分子名称: Epidermal growth factor receptor, N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-4-(dimethylamino)butanamide
著者Sogabe, S, Kawakita, Y, Igaki, S.
登録日2012-12-03
公開日2013-01-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors.
Acs Med.Chem.Lett., 4, 2013
3W2R
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EGFR Kinase domain T790M/L858R mutant with compound 4
分子名称: 1,2-ETHANEDIOL, 1-{3-[2-chloro-4-({5-[2-(2-hydroxyethoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phenoxy]phenyl}-3-cyclohexylurea, Epidermal growth factor receptor
著者Sogabe, S, Kawakita, Y, Igaki, S.
登録日2012-12-03
公開日2013-01-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors.
Acs Med.Chem.Lett., 4, 2013
6E0R
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hALK in complex with compound 7 N-((1S)-1-(5-fluoropyridin-2-yl)ethyl)-1-(5-methyl-1H-pyrazol-3-yl)-3-(oxetan-3-ylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
分子名称: ALK tyrosine kinase receptor, N-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)-3-[(oxetan-3-yl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
著者Lane, W, Saikatendu, K.
登録日2018-07-06
公開日2019-05-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献Discovery of Potent, Selective, and Brain-Penetrant 1 H-Pyrazol-5-yl-1 H-pyrrolo[2,3- b]pyridines as Anaplastic Lymphoma Kinase (ALK) Inhibitors.
J.Med.Chem., 62, 2019
6EDL
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hALK in complex with compound 1 (S)-N-(1-(2,4-difluorophenyl)ethyl)-3-(3-methyl-1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-amine
分子名称: ALK tyrosine kinase receptor, N-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-b]pyridazin-6-amine
著者Lane, W, Saikatendu, K.
登録日2018-08-09
公開日2019-05-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.799 Å)
主引用文献Discovery of Potent, Selective, and Brain-Penetrant 1 H-Pyrazol-5-yl-1 H-pyrrolo[2,3- b]pyridines as Anaplastic Lymphoma Kinase (ALK) Inhibitors.
J.Med.Chem., 62, 2019
6EBW
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hALK in complex with compound 9 (6-(((1S)-1-(5-Fluoropyridin-2-yl)ethyl)amino)-1-(3-methyl-1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl)(morpholin-4-yl)methanone
分子名称: ALK tyrosine kinase receptor, [6-{[(1S)-1-(5-fluoropyridin-2-yl)ethyl]amino}-1-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl](morpholin-4-yl)methanone
著者Lane, W, Saikatendu, K.
登録日2018-08-07
公開日2019-05-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.455 Å)
主引用文献Discovery of Potent, Selective, and Brain-Penetrant 1 H-Pyrazol-5-yl-1 H-pyrrolo[2,3- b]pyridines as Anaplastic Lymphoma Kinase (ALK) Inhibitors.
J.Med.Chem., 62, 2019
4EN6
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Crystal structure of HA70 (HA3) subcomponent of Clostridium botulinum type C progenitor toxin in complex with alpha 2-3-sialyllactose
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, Hemagglutinin components HA-22/23/53, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Yamashita, S, Yoshida, H, Tonozuka, T, Nishikawa, A, Kamitori, S.
登録日2012-04-12
公開日2012-06-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Carbohydrate recognition mechanism of HA70 from Clostridium botulinum deduced from X-ray structures in complexes with sialylated oligosaccharides
Febs Lett., 586, 2012
4EN7
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Crystal structure of HA70 (HA3) subcomponent of Clostridium botulinum type C progenitor toxin in complex with alpha 2-3-sialyllactosamine
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, Hemagglutinin components HA-22/23/53, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Yamashita, S, Yoshida, H, Tonozuka, T, Nishikawa, A, Kamitori, S.
登録日2012-04-12
公開日2012-06-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Carbohydrate recognition mechanism of HA70 from Clostridium botulinum deduced from X-ray structures in complexes with sialylated oligosaccharides
Febs Lett., 586, 2012
4EN8
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Crystal structure of HA70 (HA3) subcomponent of Clostridium botulinum type C progenitor toxin in complex with alpha 2-6-sialyllactose
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, Hemagglutinin components HA-22/23/53, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Yamashita, S, Yoshida, H, Tonozuka, T, Nishikawa, A, Kamitori, S.
登録日2012-04-12
公開日2012-06-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Carbohydrate recognition mechanism of HA70 from Clostridium botulinum deduced from X-ray structures in complexes with sialylated oligosaccharides
Febs Lett., 586, 2012

 

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