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9EPW
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Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3336
分子名称: Casein kinase II subunit alpha, SULFATE ION, ~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]ethanamine
著者Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC)
登録日2024-03-20
公開日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3336
To Be Published
9EQ1
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Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGJM24
分子名称: 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ...
著者Kraemer, A, Greco, F, Moeckel, J, Knapp, S, Structural Genomics Consortium (SGC)
登録日2024-03-20
公開日2024-05-01
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGJM24
To Be Published
8ZJV
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Crystal Structure of the ERK2 complexed with 5-Iodotubercidin
分子名称: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Yang, Y, Fu, L, Chen, R, Cheng, H, Sun, X.
登録日2024-05-15
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of the ERK2 complexed with 5-Iodotubercidin
To Be Published
5ZN2
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X-ray structure of protein kinase ck2 alpha subunit H148A mutant
分子名称: Casein kinase II subunit alpha, SULFATE ION
著者Shibazaki, C, Arai, S, Shimizu, R, Kinoshita, T, Kuroki, R, Adachi, M.
登録日2018-04-07
公開日2018-11-21
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Hydration Structures of the Human Protein Kinase CK2 alpha Clarified by Joint Neutron and X-ray Crystallography.
J. Mol. Biol., 430, 2018
5ZN3
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X-ray structure of protein kinase ck2 alpha subunit H148S mutant
分子名称: Casein kinase II subunit alpha, SULFATE ION
著者Shibazaki, C, Arai, S, Shimizu, R, Kinoshita, T, Kuroki, R, Adachi, M.
登録日2018-04-07
公開日2018-11-21
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Hydration Structures of the Human Protein Kinase CK2 alpha Clarified by Joint Neutron and X-ray Crystallography.
J. Mol. Biol., 430, 2018
6A1G
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Crystal structure of human DYRK1A in complex with compound 32
分子名称: 5,5-dimethyl-8-[1-(piperidin-4-yl)ethenyl]-5,6-dihydrobenzo[h]quinazolin-4-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Baba, D, Hanzawa, H.
登録日2018-06-07
公開日2018-10-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of DS42450411 as a potent orally active hepcidin production inhibitor: Design and optimization of novel 4-aminopyrimidine derivatives.
Bioorg. Med. Chem. Lett., 28, 2018
6A1F
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Crystal structure of human DYRK1A in complex with compound 14
分子名称: 8-methoxy-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, ...
著者Baba, D, Hanzawa, H.
登録日2018-06-07
公開日2018-10-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of DS42450411 as a potent orally active hepcidin production inhibitor: Design and optimization of novel 4-aminopyrimidine derivatives.
Bioorg. Med. Chem. Lett., 28, 2018
6AE3
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Crystal structure of GSK3beta complexed with Morin
分子名称: 2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one, GLYCEROL, Glycogen synthase kinase-3 beta
著者Kim, K.L, Cha, J.S, Kim, J.S, Ahn, J.S, Ha, N.C, Cho, H.S.
登録日2018-08-03
公開日2018-09-19
最終更新日2018-10-03
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Crystal structure of GSK3 beta in complex with the flavonoid, morin
Biochem. Biophys. Res. Commun., 504, 2018
6AAR
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Crystal structure of DAPK1 in complex with purpurin
分子名称: Death-associated protein kinase 1, Purpurin
著者Yokoyama, T, Mizuguchi, M.
登録日2018-07-19
公開日2019-07-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and thermodynamic analyses of interactions between death-associated protein kinase 1 and anthraquinones.
Acta Crystallogr D Struct Biol, 76, 2020
6A1C
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Crystal structure of the CK2a1-go289 complex
分子名称: 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-4-[(E)-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol, Casein kinase II subunit alpha, ...
著者Kinoshita, T, Tsuyuguchi, M.
登録日2018-06-07
公開日2019-03-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Cell-based screen identifies a new potent and highly selective CK2 inhibitor for modulation of circadian rhythms and cancer cell growth.
Sci Adv, 5, 2019
5ZTN
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The crystal structure of human DYRK2 in complex with Curcumin
分子名称: (1Z,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Ji, C.G, Xiao, J.Y.
登録日2018-05-04
公開日2018-07-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.496 Å)
主引用文献Ancient drug curcumin impedes 26S proteasome activity by direct inhibition of dual-specificity tyrosine-regulated kinase 2.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6AC9
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Crystal structure of human Vaccinia-related kinase 1 (VRK1) in complex with AMP-PNP
分子名称: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
著者Ngow, Y.S, Sreekanth, R, Yoon, H.S.
登録日2018-07-25
公開日2018-12-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Crystal structure of human vaccinia-related kinase 1 in complex with AMP-PNP, a non-hydrolyzable ATP analog.
Protein Sci., 28, 2019
6ACR
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Crystal structure of human ALK2 kinase domain with R206H mutation in complex with RK-59638
分子名称: Activin receptor type-1, N-(4-methoxyphenyl)-4-[3-(pyridin-3-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine, SULFATE ION
著者Sakai, N, Mishima-Tsumagari, C, Matsumoto, T, Shirouzu, M.
登録日2018-07-27
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Bis-Heteroaryl Pyrazoles: Identification of Orally Bioavailable Inhibitors of Activin Receptor-Like Kinase-2 (R206H).
Chem. Pharm. Bull., 67, 2019
6B16
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P21-activated kinase 1 in complex with a 4-azaindole inhibitor
分子名称: N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)-N~2~-[(1S)-1-(1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl]pyrimidine-2,4-diamine, SULFATE ION, Serine/threonine-protein kinase PAK 1
著者Rouge, L, Wang, W.
登録日2017-09-16
公開日2017-10-25
実験手法X-RAY DIFFRACTION (2.285 Å)
主引用文献Synthesis and evaluation of a series of 4-azaindole-containing p21-activated kinase-1 inhibitors.
Bioorg. Med. Chem. Lett., 26, 2016
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
6B2Q
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BU of 6b2q by Molmil
Dual Inhibition of the Essential Protein Kinases A and B in Mycobacterium tuberculosis
分子名称: 3-methyl-1-(2-methylpropyl)butyl 4-O-beta-L-gulopyranosyl-beta-D-glucopyranoside, 5-{5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}thiophene-2-sulfonamide, Serine/threonine-protein kinase PknA
著者Zuccola, H.J.
登録日2017-09-20
公開日2018-02-14
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Mtb PKNA/PKNB Dual Inhibition Provides Selectivity Advantages for Inhibitor Design To Minimize Host Kinase Interactions.
ACS Med Chem Lett, 8, 2017
6BDN
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BU of 6bdn by Molmil
Crystal structure of human TAO3 kinase binding ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
著者Aleshin, A.E, Bankton, L.A, Pinkerton, A, Courtneidge, S.A, Liddington, R.C.
登録日2017-10-23
公開日2019-04-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of human TAO3 kinase binding ADP
To Be Published
6B2P
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Dual Inhibition of the Essential Protein Kinases A and B in Mycobacterium tuberculosis
分子名称: 5-{5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}thiophene-2-sulfonamide, Serine/threonine-protein kinase PknB
著者Zuccola, H.J.
登録日2017-09-20
公開日2018-02-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Mtb PKNA/PKNB Dual Inhibition Provides Selectivity Advantages for Inhibitor Design To Minimize Host Kinase Interactions.
ACS Med Chem Lett, 8, 2017
6B8J
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Co-structure of human glycogen synthase kinase beta with a selective (5-imidazol-2-yl-4-phenylpyrimidin-2-yl)[2-(2-pyridylamino)ethyl]amine inhibitor
分子名称: CHIR99021, GLYCEROL, Glycogen synthase kinase-3 beta, ...
著者Bussiere, D.E.
登録日2017-10-08
公開日2017-11-08
実験手法X-RAY DIFFRACTION (2.595 Å)
主引用文献Synthesis, Binding Mode, and Antihyperglycemic Activity of Potent and Selective (5-Imidazol-2-yl-4-phenylpyrimidin-2-yl)[2-(2-pyridylamino)ethyl]amine Inhibitors of Glycogen Synthase Kinase 3.
J. Med. Chem., 60, 2017
6BDL
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BU of 6bdl by Molmil
Crystal structure of cGMP-dependent protein kinase Ialpha (PKG Ialpha) catalytic domain in apo state
分子名称: IMIDAZOLE, cGMP-dependent protein kinase 1
著者Qin, L, Sankaran, B, Kim, C.
登録日2017-10-23
公開日2018-10-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Crystal structure of cGMP-dependent protein kinase Ialpha (PKG Ialpha) catalytic domain
to be published
6AYW
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The structure of human CamKII with bound inhibitor
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Calcium/calmodulin-dependent protein kinase type II subunit delta, N-[2-(dimethylamino)ethyl]-3-[6-(thiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide
著者Somoza, J.R, Villasenor, A.G.
登録日2017-09-08
公開日2017-11-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The structure of human CamKII with bound inhibitor
To Be Published
6AYD
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Pim1 complexed with N-(6-(4-hydroxyphenyl)-1H-indazol-3-yl)cyclopropanecarboxamide
分子名称: N-[6-(4-hydroxyphenyl)-2H-indazol-3-yl]cyclopropanecarboxamide, Serine/threonine-protein kinase pim-1
著者Shewchuk, L.M, Henley, Z.A.
登録日2017-09-08
公開日2017-12-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献From PIM1 to PI3K delta via GSK3 beta : Target Hopping through the Kinome.
ACS Med Chem Lett, 8, 2017
6BFN
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Crystal structure of human IRAK1
分子名称: Interleukin-1 receptor-associated kinase 1, N-[2-methoxy-4-(morpholin-4-yl)phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
著者Wang, L, Qiao, Q, Wu, H.
登録日2017-10-26
公開日2017-12-06
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Crystal structure of human IRAK1.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6B4W
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TTK in Complex with Inhibitor
分子名称: 4-{[4-(cyclopentyloxy)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}-3-methoxy-N-methylbenzamide, CACODYLATE ION, Dual specificity protein kinase TTK
著者Delker, S, Chamberlain, P.P.
登録日2017-09-27
公開日2017-10-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The Discovery of a Dual TTK Protein Kinase/CDC2-Like Kinase (CLK2) Inhibitor for the Treatment of Triple Negative Breast Cancer Initiated from a Phenotypic Screen.
J. Med. Chem., 60, 2017
6BG2
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Crystal structure of cGMP-dependent protein kinase Ialpha (PKG Ialpha) catalytic domain in AMP-PNP bound state
分子名称: MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, cGMP-dependent protein kinase 1
著者Qin, L, Sankaran, B, Kim, C.
登録日2017-10-27
公開日2018-10-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Crystal structure of cGMP-dependent protein kinase Ialpha (PKG Ialpha) catalytic domain
to be published

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件を2024-07-10に公開中

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