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8XXA
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BU of 8xxa by Molmil
Rhodothermus marinus alpha-amylase RmGH13_47A CBM48-A-B-C domains in complex with branched pentasaccharide
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Tonozuka, T.
登録日2024-01-18
公開日2024-02-07
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural basis for the recognition of alpha-1,6-branched alpha-glucan by GH13_47 alpha-amylase from Rhodothermus marinus.
Proteins, 92, 2024
8XX9
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BU of 8xx9 by Molmil
Rhodothermus marinus alpha-amylase RmGH13_47A CBM48-A-B-C domains
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Tonozuka, T.
登録日2024-01-18
公開日2024-02-07
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural basis for the recognition of alpha-1,6-branched alpha-glucan by GH13_47 alpha-amylase from Rhodothermus marinus.
Proteins, 92, 2024
5B6T
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BU of 5b6t by Molmil
Catalytic domain of Coprinopsis cinerea GH62 alpha-L-arabinofuranosidase complexed with Pb
分子名称: CALCIUM ION, GLYCEROL, Glycosyl hydrolase family 62 protein, ...
著者Tonozuka, T.
登録日2016-06-01
公開日2016-09-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Structure of the Catalytic Domain of alpha-L-Arabinofuranosidase from Coprinopsis cinerea, CcAbf62A, Provides Insights into Structure-Function Relationships in Glycoside Hydrolase Family 62
Appl. Biochem. Biotechnol., 181, 2017
5AWO
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BU of 5awo by Molmil
Arthrobacter globiformis T6 isomalto-dextranse
分子名称: ACETATE ION, Isomaltodextranase, PHOSPHATE ION
著者Tonozuka, T.
登録日2015-07-08
公開日2015-09-09
最終更新日2020-02-26
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Crystal Structure and Mutational Analysis of Isomalto-dextranase, a Member of Glycoside Hydrolase Family 27
J.Biol.Chem., 290, 2015
5AWP
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BU of 5awp by Molmil
Arthrobacter globiformis T6 isomalto-dextranase complexed with isomaltose
分子名称: Isomaltodextranase, PHOSPHATE ION, alpha-D-glucopyranose-(1-6)-beta-D-glucopyranose
著者Tonozuka, T.
登録日2015-07-08
公開日2015-09-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure and Mutational Analysis of Isomalto-dextranase, a Member of Glycoside Hydrolase Family 27
J.Biol.Chem., 290, 2015
5B6S
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BU of 5b6s by Molmil
Catalytic domain of Coprinopsis cinerea GH62 alpha-L-arabinofuranosidase
分子名称: CALCIUM ION, GLYCEROL, Glycosyl hydrolase family 62 protein
著者Tonozuka, T.
登録日2016-06-01
公開日2016-09-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of the Catalytic Domain of alpha-L-Arabinofuranosidase from Coprinopsis cinerea, CcAbf62A, Provides Insights into Structure-Function Relationships in Glycoside Hydrolase Family 62
Appl. Biochem. Biotechnol., 181, 2017
5AWQ
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BU of 5awq by Molmil
Arthrobacter globiformis T6 isomalto-dextranse complexed with panose
分子名称: Isomaltodextranase, PHOSPHATE ION, alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose, ...
著者Tonozuka, T.
登録日2015-07-08
公開日2015-09-09
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Crystal Structure and Mutational Analysis of Isomalto-dextranase, a Member of Glycoside Hydrolase Family 27
J.Biol.Chem., 290, 2015
6M9L
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BU of 6m9l by Molmil
Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping - compound 10
分子名称: 3-benzyl-6-[(2,4-difluorophenyl)amino]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one, Mitogen-activated protein kinase 14
著者Lane, W, Okada, K.
登録日2018-08-23
公開日2019-04-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 1.
Chemmedchem, 14, 2019
6M95
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BU of 6m95 by Molmil
Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping: compound 1
分子名称: (4-benzylpiperidin-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone, Mitogen-activated protein kinase 14
著者Lane, W, Okada, K.
登録日2018-08-22
公開日2019-04-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 1.
Chemmedchem, 14, 2019
5U7Q
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BU of 5u7q by Molmil
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
5U7R
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BU of 5u7r by Molmil
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
5X7P
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BU of 5x7p by Molmil
Crystal structure of Paenibacillus sp. 598K alpha-1,6-glucosyltransferase complexed with acarbose
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
著者Fujimoto, Z, Kishine, N, Suzuki, N, Momma, M, Ichinose, H, Kimura, A, Funane, K.
登録日2017-02-27
公開日2017-07-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Carbohydrate-binding architecture of the multi-modular alpha-1,6-glucosyltransferase from Paenibacillus sp. 598K, which produces alpha-1,6-glucosyl-alpha-glucosaccharides from starch
Biochem. J., 474, 2017
3VNT
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BU of 3vnt by Molmil
Crystal Structure of the Kinase domain of Human VEGFR2 with a [1,3]thiazolo[5,4-b]pyridine derivative
分子名称: 1,2-ETHANEDIOL, 2-chloro-3-(1-cyanocyclopropyl)-N-[5-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-2-fluorophenyl]benzamide, Vascular endothelial growth factor receptor 2
著者Oki, H.
登録日2012-01-17
公開日2012-04-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.64 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
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
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
5X7S
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BU of 5x7s by Molmil
Crystal structure of Paenibacillus sp. 598K alpha-1,6-glucosyltransferase, terbium derivative
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Fujimoto, Z, Kishine, N, Suzuki, N, Momma, M, Ichinose, H, Kimura, A, Funane, K.
登録日2017-02-27
公開日2017-07-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Carbohydrate-binding architecture of the multi-modular alpha-1,6-glucosyltransferase from Paenibacillus sp. 598K, which produces alpha-1,6-glucosyl-alpha-glucosaccharides from starch
Biochem. J., 474, 2017
5X7Q
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BU of 5x7q by Molmil
Crystal structure of Paenibacillus sp. 598K alpha-1,6-glucosyltransferase complexed with maltohexaose
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
著者Fujimoto, Z, Kishine, N, Suzuki, N, Momma, M, Ichinose, H, Kimura, A, Funane, K.
登録日2017-02-27
公開日2017-07-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Carbohydrate-binding architecture of the multi-modular alpha-1,6-glucosyltransferase from Paenibacillus sp. 598K, which produces alpha-1,6-glucosyl-alpha-glucosaccharides from starch
Biochem. J., 474, 2017
5X7O
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BU of 5x7o by Molmil
Crystal structure of Paenibacillus sp. 598K alpha-1,6-glucosyltransferase
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Fujimoto, Z, Suzuki, N, Kishine, N, Momma, M, Ichinose, H, Kimura, A, Funane, K.
登録日2017-02-27
公開日2017-07-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Carbohydrate-binding architecture of the multi-modular alpha-1,6-glucosyltransferase from Paenibacillus sp. 598K, which produces alpha-1,6-glucosyl-alpha-glucosaccharides from starch
Biochem. J., 474, 2017
5X7R
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BU of 5x7r by Molmil
Crystal structure of Paenibacillus sp. 598K alpha-1,6-glucosyltransferase complexed with isomaltohexaose
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
著者Fujimoto, Z, Kishine, N, Suzuki, N, Momma, M, Ichinose, H, Kimura, A, Funane, K.
登録日2017-02-27
公開日2017-07-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Carbohydrate-binding architecture of the multi-modular alpha-1,6-glucosyltransferase from Paenibacillus sp. 598K, which produces alpha-1,6-glucosyl-alpha-glucosaccharides from starch
Biochem. J., 474, 2017

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件を2024-10-02に公開中

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