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4FG8
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Crystal structure of human calcium/calmodulin-dependent protein kinase I 1-315 in complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type 1
著者Zha, M, Zhong, C, Ou, Y, Wang, J, Han, L, Ding, J.
登録日2012-06-04
公開日2013-01-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of human CaMKIalpha reveal insights into the regulation mechanism of CaMKI.
Plos One, 7, 2012
4FIG
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Catalytic domain of human PAK4
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase PAK 4
著者Ha, B.H, Boggon, T.J.
登録日2012-06-08
公開日2012-09-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Type II p21-activated kinases (PAKs) are regulated by an autoinhibitory pseudosubstrate.
Proc.Natl.Acad.Sci.USA, 109, 2012
4FKV
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Crystal structure of the cdk2 in complex with oxindole inhibitor
分子名称: (3Z)-N-[2-(1H-imidazol-4-yl)ethyl]-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1H-indole-5-carboxamide, Cyclin-dependent kinase 2, GLYCEROL
著者Kang, Y.N, Stuckey, J.A.
登録日2012-06-13
公開日2013-05-08
最終更新日2013-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of the cdk2 in complex with oxindole inhibitor
To be Published
6QXK
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Human PIM1 bound to OX0999
分子名称: 2-[(1-methylpiperidin-4-yl)methylamino]-5-[[2-[4-(trifluoromethyloxy)phenyl]-1,3-thiazol-4-yl]methyl]-1,3-thiazol-4-one, Pimtide, Serine/threonine-protein kinase pim-1
著者Alexander, L.T, Elkins, J.M, Russell, A, Bountra, C, Edwards, A.M, Knapp, S.
登録日2019-03-07
公開日2019-04-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献PIM1 bound to OX0999
To Be Published
6QU2
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Crystal structure of DYRK1A complexed with FC162 inhibitor
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 8-cyclopropyl-2-pyridin-3-yl-[1,3]thiazolo[5,4-f]quinazolin-9-one, DIMETHYL SULFOXIDE, ...
著者Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Besson, T, Knapp, S, Structural Genomics Consortium (SGC)
登録日2019-02-26
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of DYRK1A complexed with FC162 inhibitor
To Be Published
6QTY
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Non-phosphorylated human CLK1 in complex with an indole inhibitor to 1.65 Ang
分子名称: Dual specificity protein kinase CLK1, ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate
著者Livnah, O, Domovich, Y.
登録日2019-02-26
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Expression, purification and crystallization of CLK1 kinase - A potential target for antiviral therapy.
Protein Expr.Purif., 176, 2020
4FIF
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Catalytic domain of human PAK4 with RPKPLVDP peptide
分子名称: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase PAK 4
著者Ha, B.H, Boggon, T.J.
登録日2012-06-08
公開日2012-09-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Type II p21-activated kinases (PAKs) are regulated by an autoinhibitory pseudosubstrate.
Proc.Natl.Acad.Sci.USA, 109, 2012
4FKP
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Crystal structure of the cdk2 in complex with oxindole inhibitor
分子名称: 3-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE, Cyclin-dependent kinase 2, SODIUM ION
著者Kang, Y.N, Stuckey, J.A.
登録日2012-06-13
公開日2013-05-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of the cdk2 in complex with oxindole inhibitor
To be Published
6QMO
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Death-associated Protein Kinase 1 (DAPK1) catalytic and auto-regulatory domains with S289E and S308A mutations
分子名称: CHLORIDE ION, Death-associated protein kinase 1, GLYCEROL, ...
著者Huart, A.-S, Wilmanns, M.
登録日2019-02-07
公開日2019-08-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Molecular mechanisms behind DAPK regulation: how phosphorylation switches work
To Be Published
6QY7
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Human CSNK2A1 bound to ERB-041
分子名称: 2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZOL-5-OL, CHLORIDE ION, Casein kinase II subunit alpha
著者Abdul Azeez, K.R, Sorrell, F.J, Krojer, T, Bountra, C, Edwards, A.M, Arrowsmith, C, Knapp, S, Elkins, J.M.
登録日2019-03-08
公開日2020-03-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献CSNK2A1 bound to ERB-041
To Be Published
6QY9
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Human CSNK2A2 bound to a Pyrrolo[2,3-d]pyrimidinyl inhibitor
分子名称: 1,2-ETHANEDIOL, 3-[3-[2-[(3,4,5-trimethoxyphenyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanenitrile, CHLORIDE ION, ...
著者Abdul Azeez, K.R, Sorrell, F.J, Krojer, T, Bountra, C, Edwards, A.M, Arrowsmith, C, Knapp, S, Elkins, J.M.
登録日2019-03-08
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Human CSNK2A2 bound to a Pyrrolo[2,3-d]pyrimidinyl inhibitor
To Be Published
6QY8
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Human CSNK2A2 bound to ERB-041
分子名称: 2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZOL-5-OL, Casein kinase II subunit alpha'
著者Abdul Azeez, K.R, Sorrell, F.J, Krojer, T, Bountra, C, Edwards, A.M, Arrowsmith, C, Knapp, S, Elkins, J.M.
登録日2019-03-08
公開日2020-03-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献CSNK2A1 bound to ERB-041
To Be Published
6QP5
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Apo Human Calcium/Calmodulin-dependent kinase type 1D
分子名称: 1,2-ETHANEDIOL, Calcium/calmodulin-dependent protein kinase type 1D, SULFATE ION
著者Sorrell, F.J, Knapp, S.
登録日2019-02-13
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Apo Human Calcium/Calmodulin-dependent kinase type 1D
To Be Published
8H59
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A fungal MAP kinase in complex with an inhibitor
分子名称: Mitogen-activated protein kinase MPS1, ~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]-8-[2-methoxy-5-(trifluoromethyloxy)phenyl]-1,6-naphthyridine-2-carboxamide
著者Kong, Z, Zhang, X, Wang, D, Liu, J.
登録日2022-10-12
公開日2023-02-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-Aided Identification of an Inhibitor Targets Mps1 for the Management of Plant-Pathogenic Fungi.
Mbio, 14, 2023
8HLT
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BU of 8hlt by Molmil
The co-crystal structure of DYRK2 with YK-2-99B
分子名称: (6-{[(4P)-4-(1,3-benzothiazol-5-yl)-5-fluoropyrimidin-2-yl]amino}pyridin-3-yl)(piperazin-1-yl)methanone, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Shen, H.T, Xiao, Y.B, Yuan, K, Yang, P, Li, Q.N.
登録日2022-12-01
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of Potent DYRK2 Inhibitors with High Selectivity, Great Solubility, and Excellent Safety Properties for the Treatment of Prostate Cancer.
J.Med.Chem., 66, 2023
8I0M
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BU of 8i0m by Molmil
Structure of CDK6 in complex with inhibitor
分子名称: 2-[(4-azanylcyclohexyl)amino]-7-cyclopentyl-~{N},~{N}-dimethyl-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Cyclin-dependent kinase 6
著者Jiang, C, Ye, Y, Huang, Y.
登録日2023-01-11
公開日2024-01-24
実験手法X-RAY DIFFRACTION (2.7772 Å)
主引用文献Structure of CDK6 in complex with inhibitor
To Be Published
8IE6
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BU of 8ie6 by Molmil
Crystal structure of DAPK1 in complex with pinostilbene
分子名称: 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-phenol, Death-associated protein kinase 1, SULFATE ION
著者Yokoyama, T.
登録日2023-02-15
公開日2023-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Characterization of the molecular interactions between resveratrol derivatives and death-associated protein kinase 1.
Febs J., 290, 2023
8IE5
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Crystal structure of DAPK1 in complex with oxyresveratrol
分子名称: Death-associated protein kinase 1, SULFATE ION, trans-oxyresveratrol
著者Yokoyama, T.
登録日2023-02-15
公開日2023-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.803 Å)
主引用文献Characterization of the molecular interactions between resveratrol derivatives and death-associated protein kinase 1.
Febs J., 290, 2023
8IE8
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Crystal structure of DAPK1 in complex with isorhapontigenin
分子名称: 5-[(~{E})-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]benzene-1,3-diol, Death-associated protein kinase 1, SULFATE ION
著者Yokoyama, T.
登録日2023-02-15
公開日2023-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Characterization of the molecular interactions between resveratrol derivatives and death-associated protein kinase 1.
Febs J., 290, 2023
8IE7
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Crystal structure of DAPK1 in complex with pterostilbene
分子名称: Death-associated protein kinase 1, Pterostilbene, SULFATE ION
著者Yokoyama, T.
登録日2023-02-15
公開日2023-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.849 Å)
主引用文献Characterization of the molecular interactions between resveratrol derivatives and death-associated protein kinase 1.
Febs J., 290, 2023
8IZC
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BU of 8izc by Molmil
Human CK1 Delta Kinase structure bound to Inhibitor
分子名称: Casein kinase I isoform delta, SULFATE ION, ~{N}5-~{tert}-butyl-2-(3-chloranyl-4-fluoranyl-phenyl)-6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
著者Ghosh, K.
登録日2023-04-06
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The Discovery of BMS-986164, a Potent, Selective and Orally Efficacious CK1d/e/a Inhibitor from Pyrazolo-Piperazine Chemotype
To Be Published
8JMX
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The crystal structure of human aurka kinase domain in complex with AURKA-A2
分子名称: 5-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-oxidanyl-benzaldehyde, Aurora kinase A
著者Zhu, C.J, Zhang, Z.M.
登録日2023-06-05
公開日2023-10-18
実験手法X-RAY DIFFRACTION (2.95020175 Å)
主引用文献Multitarget inhibitors/probes that target LRRK2 and AURORA A kinases noncovalently and covalently.
Chem.Commun.(Camb.), 59, 2023
8JF4
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The crystal structure of human AURKA kinase domain in complex with AURKA-compound 9
分子名称: 2-[4-[4-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]carbonylpiperazin-1-yl]-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-prop-2-ynyl-pyrimidine-4-carboxamide, Aurora kinase A
著者Zhu, C.J.
登録日2023-05-17
公開日2024-02-14
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.89288354 Å)
主引用文献Global Reactivity Profiling of the Catalytic Lysine in Human Kinome for Covalent Inhibitor Development.
Angew.Chem.Int.Ed.Engl., 63, 2024
8JG8
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The crystal structure of human aurka kinase domain in the complex with aurka-compound 25
分子名称: 4-[5-[3-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine, Aurora kinase A
著者Zhu, C.J, Zhang, Z.M.
登録日2023-05-19
公開日2024-04-17
実験手法X-RAY DIFFRACTION (2.90002346 Å)
主引用文献Global Reactivity Profiling of the Catalytic Lysine in Human Kinome for Covalent Inhibitor Development.
Angew.Chem.Int.Ed.Engl., 63, 2024
8JUP
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Crystal structure of a receptor like kinase from rice
分子名称: ADENOSINE-5'-TRIPHOSPHATE, LRR receptor-like serine/threonine-protein kinase FLS2, MAGNESIUM ION
著者Ming, Z, Zhao, Q.
登録日2023-06-27
公開日2024-01-24
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献An Active State Formation Mechanism of Receptor Kinase in Plant
Plant Commun., 2024

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件を2024-07-10に公開中

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