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6OHD
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BU of 6ohd by Molmil
P38 in complex with T-3220137
Descriptor: 3-(3-tert-butyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide, Mitogen-activated protein kinase 14
Authors:Lane, W, Saikatendu, K.
Deposit date:2019-04-05
Release date:2019-11-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]Pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 2.
Chemmedchem, 14, 2019
5F20
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BU of 5f20 by Molmil
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
Descriptor: 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
Authors:Skene, R.J.
Deposit date:2015-12-01
Release date:2016-01-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.91 Å)
Cite: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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BU of 5f1z by Molmil
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
Descriptor: 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
Authors:Skene, R.J.
Deposit date:2015-12-01
Release date:2016-01-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.65 Å)
Cite: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
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
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Tonozuka, T.
Deposit date:2024-01-18
Release date:2024-02-07
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Tonozuka, T.
Deposit date:2024-01-18
Release date:2024-02-07
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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
Descriptor: CALCIUM ION, GLYCEROL, Glycosyl hydrolase family 62 protein, ...
Authors:Tonozuka, T.
Deposit date:2016-06-01
Release date:2016-09-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.48 Å)
Cite: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
Descriptor: ACETATE ION, Isomaltodextranase, PHOSPHATE ION
Authors:Tonozuka, T.
Deposit date:2015-07-08
Release date:2015-09-09
Last modified:2020-02-26
Method:X-RAY DIFFRACTION (1.44 Å)
Cite: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
Descriptor: CALCIUM ION, GLYCEROL, Glycosyl hydrolase family 62 protein
Authors:Tonozuka, T.
Deposit date:2016-06-01
Release date:2016-09-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
5AWP
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BU of 5awp by Molmil
Arthrobacter globiformis T6 isomalto-dextranase complexed with isomaltose
Descriptor: Isomaltodextranase, PHOSPHATE ION, alpha-D-glucopyranose-(1-6)-beta-D-glucopyranose
Authors:Tonozuka, T.
Deposit date:2015-07-08
Release date:2015-09-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure and Mutational Analysis of Isomalto-dextranase, a Member of Glycoside Hydrolase Family 27
J.Biol.Chem., 290, 2015
5AWQ
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BU of 5awq by Molmil
Arthrobacter globiformis T6 isomalto-dextranse complexed with panose
Descriptor: Isomaltodextranase, PHOSPHATE ION, alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose, ...
Authors:Tonozuka, T.
Deposit date:2015-07-08
Release date:2015-09-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystal Structure and Mutational Analysis of Isomalto-dextranase, a Member of Glycoside Hydrolase Family 27
J.Biol.Chem., 290, 2015
5WJJ
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BU of 5wjj by Molmil
Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[1,2-b]pyridazine-based p38 MAP Kinase Inhibitors
Descriptor: 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
Authors:Snell, G.P, Okada, K, Bragstad, K, Sang, B.-C.
Deposit date:2017-07-23
Release date:2018-01-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-based design, synthesis, and biological evaluation of imidazo[1,2-b]pyridazine-based p38 MAP kinase inhibitors.
Bioorg. Med. Chem., 26, 2018
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
Descriptor: 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
Authors:Oki, H.
Deposit date:2012-01-17
Release date:2012-04-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.64 Å)
Cite: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
Descriptor: Casein kinase II subunit alpha, N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide
Authors:Kinoshita, T, Nakaniwa, T, Sekiguchi, Y, Nakanishi, I.
Deposit date:2013-09-18
Release date:2014-11-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.995 Å)
Cite: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
Descriptor: Casein kinase II subunit alpha, {[(2Z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetic acid
Authors:Kinoshita, T, Nakanishi, I.
Deposit date:2013-09-18
Release date:2014-09-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Fujimoto, Z, Kishine, N, Suzuki, N, Momma, M, Ichinose, H, Kimura, A, Funane, K.
Deposit date:2017-02-27
Release date:2017-07-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: 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, ...
Authors:Fujimoto, Z, Kishine, N, Suzuki, N, Momma, M, Ichinose, H, Kimura, A, Funane, K.
Deposit date:2017-02-27
Release date:2017-07-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Fujimoto, Z, Suzuki, N, Kishine, N, Momma, M, Ichinose, H, Kimura, A, Funane, K.
Deposit date:2017-02-27
Release date:2017-07-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
5X7P
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BU of 5x7p by Molmil
Crystal structure of Paenibacillus sp. 598K alpha-1,6-glucosyltransferase complexed with acarbose
Descriptor: 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, ...
Authors:Fujimoto, Z, Kishine, N, Suzuki, N, Momma, M, Ichinose, H, Kimura, A, Funane, K.
Deposit date:2017-02-27
Release date:2017-07-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: 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, ...
Authors:Fujimoto, Z, Kishine, N, Suzuki, N, Momma, M, Ichinose, H, Kimura, A, Funane, K.
Deposit date:2017-02-27
Release date:2017-07-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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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數據於2024-09-04公開中

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