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3WPZ
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Microbacterium saccharophilum K-1 beta-fructofuranosidase mutant T47S/S200T/F447P/F470Y/P500S
分子名称: Beta-fructofuranosidase
著者Yokoi, G, Mori, M, Sato, S, Miyazaki, T, Nishikawa, A, Tonozuka, T.
登録日2014-01-17
公開日2014-03-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Enhancing thermostability and the structural characterization of Microbacterium saccharophilum K-1 beta-fructofuranosidase
Appl.Microbiol.Biotechnol., 98, 2014
3WJJ
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Crystal structure of IIb selective Fc variant, Fc(P238D), in complex with FcgRIIb
分子名称: Ig gamma-1 chain C region, Low affinity immunoglobulin gamma Fc region receptor II-b, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Kadono, S, Mimoto, F, Katada, H, Igawa, T, Kuramochi, T, Muraoka, M, Wada, Y, Haraya, K, Miyazaki, T, Hattori, K.
登録日2013-10-10
公開日2013-11-13
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Engineered antibody Fc variant with selectively enhanced Fc gamma RIIb binding over both Fc gamma RIIaR131 and Fc gamma RIIaH131.
Protein Eng.Des.Sel., 26, 2013
3VOF
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BU of 3vof by Molmil
Cellobiohydrolase mutant, CcCel6C D102A, in the closed form
分子名称: Cellobiohydrolase, beta-D-glucopyranose
著者Tamura, M, Miyazaki, T, Tanaka, Y, Yoshida, M, Nishikawa, A, Tonozuka, T.
登録日2012-01-23
公開日2012-03-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Comparison of the structural changes in two cellobiohydrolases, CcCel6A and CcCel6C, from Coprinopsis cinerea - a tweezer-like motion in the structure of CcCel6C
Febs J., 279, 2012
3VOH
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CcCel6A catalytic domain complexed with cellobiose
分子名称: Cellobiohydrolase, beta-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ...
著者Tamura, M, Miyazaki, T, Tanaka, Y, Yoshida, M, Nishikawa, A, Tonozuka, T.
登録日2012-01-24
公開日2012-03-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Comparison of the structural changes in two cellobiohydrolases, CcCel6A and CcCel6C, from Coprinopsis cinerea - a tweezer-like motion in the structure of CcCel6C
Febs J., 279, 2012
3VOJ
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CcCel6A catalytic domain mutant D164A
分子名称: Cellobiohydrolase
著者Tamura, M, Miyazaki, T, Tanaka, Y, Yoshida, M, Nishikawa, A, Tonozuka, T.
登録日2012-01-24
公開日2012-03-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Comparison of the structural changes in two cellobiohydrolases, CcCel6A and CcCel6C, from Coprinopsis cinerea - a tweezer-like motion in the structure of CcCel6C
Febs J., 279, 2012
3VOG
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Catalytic domain of the cellobiohydrolase, CcCel6A, from Coprinopsis cinerea
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cellobiohydrolase
著者Tamura, M, Miyazaki, T, Tanaka, Y, Yoshida, M, Nishikawa, A, Tonozuka, T.
登録日2012-01-24
公開日2012-03-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Comparison of the structural changes in two cellobiohydrolases, CcCel6A and CcCel6C, from Coprinopsis cinerea - a tweezer-like motion in the structure of CcCel6C
Febs J., 279, 2012
3VOI
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CcCel6A catalytic domain complexed with p-nitrophenyl beta-D-cellotrioside
分子名称: 4-nitrophenyl beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranoside, Cellobiohydrolase, MAGNESIUM ION
著者Tamura, M, Miyazaki, T, Tanaka, Y, Yoshida, M, Nishikawa, A, Tonozuka, T.
登録日2012-01-24
公開日2012-03-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Comparison of the structural changes in two cellobiohydrolases, CcCel6A and CcCel6C, from Coprinopsis cinerea - a tweezer-like motion in the structure of CcCel6C
Febs J., 279, 2012
3WZ1
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BU of 3wz1 by Molmil
Catalytic domain of beta-agarase from Microbulbifer thermotolerans JAMB-A94
分子名称: Agarase, GLYCEROL, SODIUM ION
著者Takagi, E, Hatada, Y, Akita, M, Ohta, Y, Yokoi, G, Miyazaki, T, Nishikawa, A, Tonozuka, T.
登録日2014-09-12
公開日2014-11-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of the catalytic domain of a GH16 beta-agarase from a deep-sea bacterium, Microbulbifer thermotolerans JAMB-A94
Biosci.Biotechnol.Biochem., 79, 2015
3APF
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BU of 3apf by Molmil
Crystal structure of human PI3K-gamma in complex with CH5039699
分子名称: 3-[7-(1H-benzimidazol-5-yl)-2-(morpholin-4-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]phenol, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Nakamura, M, Fukami, T.A, Miyazaki, T, Yoshida, M.
登録日2010-10-14
公開日2011-04-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Discovery and biological activity of a novel class I PI3K inhibitor, CH5132799
Bioorg.Med.Chem.Lett., 21, 2011
3APD
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Crystal structure of human PI3K-gamma in complex with CH5108134
分子名称: 5-(2-Morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Nakamura, M, Fukami, T.A, Miyazaki, T, Yoshida, M.
登録日2010-10-14
公開日2011-04-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery and biological activity of a novel class I PI3K inhibitor, CH5132799
Bioorg.Med.Chem.Lett., 21, 2011
3APC
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Crystal structure of human PI3K-gamma in complex with CH5132799
分子名称: 5-(7-Methanesulfonyl-2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Nakamura, M, Fukami, T.A, Miyazaki, T, Yoshida, M.
登録日2010-10-14
公開日2011-04-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.544 Å)
主引用文献Discovery and biological activity of a novel class I PI3K inhibitor, CH5132799
Bioorg.Med.Chem.Lett., 21, 2011
3W7S
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BU of 3w7s by Molmil
Escherichia coli K12 YgjK complexed with glucose
分子名称: CALCIUM ION, Uncharacterized protein YgjK, alpha-D-glucopyranose
著者Miyazaki, T, Kurakata, Y, Uechi, A, Yoshida, H, Kamitori, S, Sakano, Y, Nishikawa, A, Tonozuka, T.
登録日2013-03-06
公開日2013-04-03
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural insights into the substrate specificity and function of Escherichia coli K12 YgjK, a glucosidase belonging to the glycoside hydrolase family 63.
J.Mol.Biol., 381, 2008
3W7U
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Escherichia coli K12 YgjK complexed with galactose
分子名称: CALCIUM ION, Uncharacterized protein YgjK, alpha-D-galactopyranose
著者Miyazaki, T, Kurakata, Y, Uechi, A, Yoshida, H, Kamitori, S, Sakano, Y, Nishikawa, A, Tonozuka, T.
登録日2013-03-06
公開日2013-04-03
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural insights into the substrate specificity and function of Escherichia coli K12 YgjK, a glucosidase belonging to the glycoside hydrolase family 63.
J.Mol.Biol., 381, 2008
3W7T
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Escherichia coli K12 YgjK complexed with mannose
分子名称: CALCIUM ION, MAGNESIUM ION, Uncharacterized protein YgjK, ...
著者Miyazaki, T, Kurakata, Y, Uechi, A, Yoshida, H, Kamitori, S, Sakano, Y, Nishikawa, A, Tonozuka, T.
登録日2013-03-06
公開日2013-04-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural insights into the substrate specificity and function of Escherichia coli K12 YgjK, a glucosidase belonging to the glycoside hydrolase family 63.
J.Mol.Biol., 381, 2008
5WJJ
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Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[1,2-b]pyridazine-based p38 MAP Kinase Inhibitors
分子名称: Mitogen-activated protein kinase 14, N-{4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl}-2-methyl-1-oxo-1lambda~5~-pyridine-4-carboxamide
著者Snell, G.P, Okada, K, Bragstad, K, Sang, B.-C.
登録日2017-07-23
公開日2018-01-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-based design, synthesis, and biological evaluation of imidazo[1,2-b]pyridazine-based p38 MAP kinase inhibitors.
Bioorg. Med. Chem., 26, 2018
4DBN
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Crystal Structure of the Kinase domain of Human B-raf with a [1,3]thiazolo[5,4-b]pyridine derivative
分子名称: 2-chloro-3-(1-cyanocyclopropyl)-N-[5-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-2-fluorophenyl]benzamide, Serine/threonine-protein kinase B-raf
著者Yano, J.K, Aertgeerts, K.
登録日2012-01-16
公開日2012-04-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Design and synthesis of novel DFG-out RAF/vascular endothelial growth factor receptor 2 (VEGFR2) inhibitors. 1. Exploration of [5,6]-fused bicyclic scaffolds.
J.Med.Chem., 55, 2012
6P5P
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Discovery of a Novel, Highly Potent, and Selective Thieno[3,2-d]pyrimidinone-Based Cdc7 inhibitor with a Quinuclidine Moiety (TAK-931) as an Orally Active Investigational Anti-Tumor Agent
分子名称: 2-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-6-(5-methyl-1H-pyrazol-4-yl)thieno[3,2-d]pyrimidin-4(3H)-one, Rho-associated protein kinase 2
著者Hoffman, I.D, Skene, R.J.
登録日2019-05-30
公開日2020-01-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Discovery of a Novel, Highly Potent, and Selective Thieno[3,2-d]pyrimidinone-Based Cdc7 Inhibitor with a Quinuclidine Moiety (TAK-931) as an Orally Active Investigational Antitumor Agent.
J.Med.Chem., 63, 2020
6P5M
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Discovery of a Novel, Highly Potent, and Selective Thieno[3,2-d]pyrimidinone-Based Cdc7 inhibitor with a Quinuclidine Moiety (TAK-931) as an Orally Active Investigational Anti-Tumor Agent
分子名称: 6-(5-methyl-1H-pyrazol-4-yl)-2-[(pyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4(3H)-one, Rho-associated protein kinase 2
著者Hoffman, I.D, Skene, R.J.
登録日2019-05-30
公開日2020-01-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery of a Novel, Highly Potent, and Selective Thieno[3,2-d]pyrimidinone-Based Cdc7 Inhibitor with a Quinuclidine Moiety (TAK-931) as an Orally Active Investigational Antitumor Agent.
J.Med.Chem., 63, 2020
5U7Q
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Identification of A New Class of Potent Cdc7 Inhibitors Designed by Putative Pharmacophore Model: Synthesis and Biological Evaluation of 2,3-Dihydrothieno[3,2-d]pyrimidin-4(1H)-ones
分子名称: Rho-associated protein kinase 2
著者Hoffman, I.D.
登録日2016-12-12
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Identification of a new class of potent Cdc7 inhibitors designed by putative pharmacophore model: Synthesis and biological evaluation of 2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-ones.
Bioorg. Med. Chem., 25, 2017
6ANL
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Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[1,2-b]pyridazine-based p38 MAP Kinase Inhibitors
分子名称: Mitogen-activated protein kinase 14, TAK-715
著者Snell, G.P, Okada, K, Bragstad, K, Sang, B.-C.
登録日2017-08-14
公開日2018-01-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design, synthesis, and biological evaluation of imidazo[1,2-b]pyridazine-based p38 MAP kinase inhibitors.
Bioorg. Med. Chem., 26, 2018
5U7R
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Identification of A New Class of Potent Cdc7 Inhibitors Designed by Putative Pharmacophore Model: Synthesis and Biological Evaluation of 2,3-Dihydrothieno[3,2-d]pyrimidin-4(1H)-ones
分子名称: (1s,4s)-4-(4-fluorophenyl)-4-hydroxy-6'-(5-methyl-1H-pyrazol-4-yl)-1'H-spiro[cyclohexane-1,2'-thieno[3,2-d]pyrimidin]-4'(3'H)-one, Rho-associated protein kinase 2
著者Hoffman, I.D, Skene, R.J.
登録日2016-12-12
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.33 Å)
主引用文献Identification of a new class of potent Cdc7 inhibitors designed by putative pharmacophore model: Synthesis and biological evaluation of 2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-ones.
Bioorg. Med. Chem., 25, 2017
4FC0
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BU of 4fc0 by Molmil
Crystal Structure of Human Kinase Domain of B-raf with a DFG-out Inhibitor
分子名称: 2-chloro-3-[(2-cyanopropan-2-yl)oxy]-N-{5-[{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}(methyl)amino]-2-fluorophenyl}benzamide, Serine/threonine-protein kinase B-raf
著者Yano, J.K, Aertgeerts, K.
登録日2012-05-23
公開日2014-01-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Design and synthesis of novel DFG-out RAF/vascular endothelial growth factor receptor 2 (VEGFR2) inhibitors: 3. Evaluation of 5-amino-linked thiazolo[5,4-d]pyrimidine and thiazolo[5,4-b]pyridine derivatives.
Bioorg.Med.Chem., 20, 2012
1HSS
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0.19 ALPHA-AMYLASE INHIBITOR FROM WHEAT
分子名称: 0.19 ALPHA-AMYLASE INHIBITOR
著者Oda, Y, Fukuyama, K.
登録日1997-07-01
公開日1998-07-01
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Tertiary and quaternary structures of 0.19 alpha-amylase inhibitor from wheat kernel determined by X-ray analysis at 2.06 A resolution.
Biochemistry, 36, 1997
5F20
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Structure of TYK2 with inhibitor 4: 3-azanyl-5-(2-methylphenyl)-7-(1-methylpyrazol-3-yl)-1~{H}-pyrazolo[4,3-c]pyridin-4-one
分子名称: 3-azanyl-5-(2-methylphenyl)-7-(1-methylpyrazol-3-yl)-1~{H}-pyrazolo[4,3-c]pyridin-4-one, Non-receptor tyrosine-protein kinase TYK2
著者Skene, R.J.
登録日2015-12-01
公開日2016-01-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Structure-Based Design and Synthesis of 3-Amino-1,5-dihydro-4H-pyrazolopyridin-4-one Derivatives as Tyrosine Kinase 2 Inhibitors.
J.Med.Chem., 59, 2016
5F1Z
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Structure of TYK2 with inhibitor 16: 3-azanyl-5-[(2~{S})-3-methylbutan-2-yl]-7-[1-methyl-5-(2-oxidanylpropan-2-yl)pyrazol-3-yl]-1~{H}-pyrazolo[4,3-c]pyridin-4-one
分子名称: 3-azanyl-5-[(2~{S})-3-methylbutan-2-yl]-7-[1-methyl-5-(2-oxidanylpropan-2-yl)pyrazol-3-yl]-1~{H}-pyrazolo[4,3-c]pyridin-4-one, Non-receptor tyrosine-protein kinase TYK2
著者Skene, R.J.
登録日2015-12-01
公開日2016-01-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure-Based Design and Synthesis of 3-Amino-1,5-dihydro-4H-pyrazolopyridin-4-one Derivatives as Tyrosine Kinase 2 Inhibitors.
J.Med.Chem., 59, 2016

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