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2CPK
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CRYSTAL STRUCTURE OF THE CATALYTIC SUBUNIT OF CYCLIC ADENOSINE MONOPHOSPHATE-DEPENDENT PROTEIN KINASE
分子名称: PEPTIDE INHIBITOR 20-MER, cAMP-DEPENDENT PROTEIN KINASE, CATALYTIC SUBUNIT
著者Knighton, D.R, Zheng, J, Teneyck, L.F, Ashford, V.A, Xuong, N.-H, Taylor, S.S, Sowadski, J.M.
登録日1992-10-21
公開日1993-01-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of the catalytic subunit of cyclic adenosine monophosphate-dependent protein kinase.
Science, 253, 1991
4LL5
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Crystal Structure of Pim-1 in complex with the fluorescent compound SKF86002
分子名称: 6-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole, CALCIUM ION, GLYCEROL, ...
著者Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S.
登録日2013-07-09
公開日2014-02-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002.
Acta Crystallogr.,Sect.D, 70, 2014
4LFI
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Crystal structure of scCK2 alpha in complex with GMPPNP
分子名称: Casein kinase II subunit alpha, GLYCEROL, MANGANESE (II) ION, ...
著者Liu, H.
登録日2013-06-27
公開日2014-03-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The multiple nucleotide-divalent cation binding modes of Saccharomyces cerevisiae CK2 alpha indicate a possible co-substrate hydrolysis product (ADP/GDP) release pathway.
Acta Crystallogr.,Sect.D, 70, 2014
2B54
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Human cyclin dependent kinase 2 (CKD2)complexed with DIN-232305
分子名称: 6-(3,4-DIHYDROXYBENZYL)-3-ETHYL-1-(2,4,6-TRICHLOROPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4(5H)-ONE, Cell division protein kinase 2
著者Chang, C.-C.
登録日2005-09-27
公開日2005-10-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Synthesis and biological evaluation of 1-aryl-4,5-dihydro-1h-pyraxolo[3,4-d]pyrimidin-4-one inhibitors of cyclin dependent kinases
J.Med.Chem., 47, 2004
4L6Q
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ROCK2 in complex with benzoxaborole
分子名称: 6-[4-(aminomethyl)-2-fluorophenoxy]-2,1-benzoxaborol-1(3H)-ol, Rho-associated protein kinase 2
著者Rock, F, Jarnagin, K.
登録日2013-06-12
公開日2013-10-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Linking phenotype to kinase: identification of a novel benzoxaborole hinge-binding motif for kinase inhibition and development of high-potency rho kinase inhibitors.
J.Pharmacol.Exp.Ther., 347, 2013
2B9I
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Crystal structure of Fus3 with a docking motif from Msg5
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Mitogen-activated protein kinase FUS3, ...
著者Remenyi, A, Good, M.C, Bhattacharyya, R.P, Lim, W.A.
登録日2005-10-11
公開日2006-01-03
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The role of docking interactions in mediating signaling input, output, and discrimination in the yeast MAPK network.
Mol.Cell, 20, 2005
2B9H
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Crystal structure of Fus3 with a docking motif from Ste7
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Mitogen-activated protein kinase FUS3, ...
著者Remenyi, A, Good, M.C, Bhattacharyya, R.P, Lim, W.A.
登録日2005-10-11
公開日2006-01-03
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The role of docking interactions in mediating signaling input, output, and discrimination in the yeast MAPK network.
Mol.Cell, 20, 2005
4KBK
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CK1d in complex with (3S)-3-{4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]pyridin-2-yl}morpholine inhibitor
分子名称: (3S)-3-{4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]pyridin-2-yl}morpholine, Casein kinase I isoform delta, SULFATE ION
著者Liu, S.
登録日2013-04-23
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Ligand-protein interactions of selective casein kinase 1 delta inhibitors.
J.Med.Chem., 56, 2013
2BDW
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Crystal Structure of the Auto-Inhibited Kinase Domain of Calcium/Calmodulin Activated Kinase II
分子名称: Hypothetical protein K11E8.1d
著者Rosenberg, O.S, Kuriyan, J.
登録日2005-10-20
公開日2005-12-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the Autoinhibited Kinase Domain of CaMKII and SAXS Analysis of the Holoenzyme
Cell(Cambridge,Mass.), 123, 2005
4KIN
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Crystal structure of mitogen-activated protein kinase 14 (P38-H5) complex with 5-(2-CHLOROPHENYL)-N-(5-(CYCLOPROPYLCARBAMOYL)-2-METHYLPHENYL)-2-THIOPHENECARBOXAMIDE
分子名称: 5-(2-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide, Mitogen-activated protein kinase 14
著者Sack, J.S, Tokarski, J.S.
登録日2013-05-02
公開日2013-06-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献The Identification of Novel P38-Alpha Isoform Selective Kinase Inhibitors Having an Unprecedented P38-Alpha Binding Mode
Bioorg.Med.Chem.Lett., 23, 2013
4KKE
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The crystal structure of AMP-bound JNK3
分子名称: ADENOSINE MONOPHOSPHATE, Mitogen-activated protein kinase 10
著者Han, B.G, Shim, M.B, Ahn, H.C.
登録日2013-05-06
公開日2014-05-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The crystal structure of AMP-bound JNK3
To be Published
2E9O
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Structure of h-CHK1 complexed with AA582939
分子名称: 4-(6-{[(4-METHYLCYCLOHEXYL)AMINO]METHYL}-1,4-DIHYDROINDENO[1,2-C]PYRAZOL-3-YL)BENZOIC ACID, Serine/threonine-protein kinase Chk1
著者Park, C.
登録日2007-01-26
公開日2008-01-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of 1,4-dihydroindeno[1,2-c]pyrazoles as a novel class of potent and selective checkpoint kinase 1 inhibitors.
Bioorg.Med.Chem., 15, 2007
4KBA
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CK1d in complex with 9-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine inhibitor
分子名称: 9-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine, Casein kinase I isoform delta, SULFATE ION
著者Liu, S.
登録日2013-04-23
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Ligand-protein interactions of selective casein kinase 1 delta inhibitors.
J.Med.Chem., 56, 2013
2E9V
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Structure of h-CHK1 complexed with A859017
分子名称: 18-CHLORO-2-OXO-17-[(PYRIDIN-4-YLMETHYL)AMINO]-2,3,11,12,13,14-HEXAHYDRO-1H,10H-4,8-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECINE-7-CARBONITRILE, Serine/threonine-protein kinase Chk1
著者Park, C.
登録日2007-01-27
公開日2008-01-29
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 Potent Selective Macrocyclic Chk1 Inhibitors
To be Published
2E9P
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Structure of h-CHK1 complexed with A771129
分子名称: 1-(5-CHLORO-2-METHOXYPHENYL)-3-{6-[2-(DIMETHYLAMINO)-1-METHYLETHOXY]PYRAZIN-2-YL}UREA, Serine/threonine-protein kinase Chk1
著者Park, C.
登録日2007-01-26
公開日2008-01-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-Based Design, Synthesis and Biological Evaluation of Potent and Selective Macrocyclic Chk1 Inhibitors
To be Published
2E9U
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Structure of h-CHK1 complexed with A780125
分子名称: 18-CHLORO-11,12,13,14-TETRAHYDRO-1H,10H-8,4-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECIN-2-ONE, Serine/threonine-protein kinase Chk1
著者Park, C.
登録日2007-01-27
公開日2008-01-29
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 Potent Selective Macrocyclic Chk1 Inhibitors
To be Published
4KA3
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Structure of MAP kinase in complex with a docking peptide
分子名称: Mitogen-activated protein kinase 14, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
著者Xin, F.J, Wu, J.W.
登録日2013-04-22
公開日2013-06-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.707 Å)
主引用文献Crystal structure of the p38 alpha MAP kinase in complex with a docking peptide from TAB1
Sci China Life Sci, 56, 2013
4K18
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Structure of PIM-1 kinase bound to 5-(4-cyanobenzyl)-N-(4-fluorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide
分子名称: 5-(4-cyanobenzyl)-N-(4-fluorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-1
著者Murray, J.M, Wallweber, H, Steffek, M.
登録日2013-04-04
公開日2013-05-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.051 Å)
主引用文献Discovery of novel pyrazolo[1,5-a]pyrimidines as potent pan-Pim inhibitors by structure- and property-based drug design.
Bioorg.Med.Chem.Lett., 23, 2013
4K0Y
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Structure of PIM-1 kinase bound to N-(4-fluorophenyl)-7-hydroxy-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
分子名称: N-(4-fluorophenyl)-7-hydroxy-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-1
著者Murray, J.M, Wallweber, H, Steffek, M.
登録日2013-04-04
公開日2013-05-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.954 Å)
主引用文献Discovery of novel pyrazolo[1,5-a]pyrimidines as potent pan-Pim inhibitors by structure- and property-based drug design.
Bioorg.Med.Chem.Lett., 23, 2013
2B9F
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BU of 2b9f by Molmil
Crystal structure of non-phosphorylated Fus3
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Mitogen-activated protein kinase FUS3
著者Remenyi, A, Good, M.C, Bhattacharyya, R.P, Lim, W.A.
登録日2005-10-11
公開日2006-01-03
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The role of docking interactions in mediating signaling input, output, and discrimination in the yeast MAPK network.
Mol.Cell, 20, 2005
4KKG
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BU of 4kkg by Molmil
Crystal structure of apo and AMP-bound JNK3
分子名称: Mitogen-activated protein kinase 10
著者Han, B.G, Shim, M.B, Ahn, H.C.
登録日2013-05-06
公開日2014-05-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献crystal structure of apo and AMP-bound JNK3
To be Published
2B1P
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inhibitor complex of JNK3
分子名称: 3-{6-[(2-CHLOROPHENYL)AMINO]-1H-INDAZOL-3-YL}-5-{[4-(DIMETHYLAMINO)BUTANOYL]AMINO}BENZOIC ACID, BETA-MERCAPTOETHANOL, Mitogen-activated protein kinase 10, ...
著者Swahn, B.M, Huerta, F, Kallin, E, Malmstrom, J, Weigelt, T, Viklund, J, Womack, P, Xue, Y, Ohberg, L.
登録日2005-09-16
公開日2006-09-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design and synthesis of 6-anilinoindazoles as selective inhibitors of c-Jun N-terminal kinase-3
Bioorg.Med.Chem.Lett., 15, 2005
2B52
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Human cyclin dependent kinase 2 (CDK2) complexed with DPH-042562
分子名称: 1-(3-(2,4-DIMETHYLTHIAZOL-5-YL)-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)-3-(4-METHYLPIPERAZIN-1-YL)UREA, Cell division protein kinase 2
著者Muckelbauer, J.
登録日2005-09-27
公開日2005-10-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Synthesis and Evaluation of Indenopyrazoles as Cyclin-Dependent Kinase Inhibitors. Part 4: Heterocycles at C3
Bioorg.Med.Chem.Lett., 14, 2004
4LOP
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Structural basis of autoactivation of p38 alpha induced by TAB1 (Tetragonal crystal form)
分子名称: 1,2-ETHANEDIOL, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, L(+)-TARTARIC ACID, ...
著者Chaikuad, A, DeNicola, G.F, Krojer, T, Allerston, C.K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Marber, M.S, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-07-13
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.049 Å)
主引用文献Mechanism and consequence of the autoactivation of p38 alpha mitogen-activated protein kinase promoted by TAB1.
Nat.Struct.Mol.Biol., 20, 2013
2AYP
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Crystal Structure of CHK1 with an Indol Inhibitor
分子名称: (3Z)-6-(4-HYDROXY-3-METHOXYPHENYL)-3-(1H-PYRROL-2-YLMETHYLENE)-1,3-DIHYDRO-2H-INDOL-2-ONE, Serine/threonine-protein kinase Chk1
著者Lin, N.-H, Xia, P, Kovar, P, Chen, Z, Zhang, H, Rosenberg, S.H, Sham, H.L.
登録日2005-09-07
公開日2006-09-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Synthesis and biological evaluation of 3-ethylidene-1,3-dihydro-indol-2-ones as novel checkpoint 1 inhibitors
Bioorg.Med.Chem.Lett., 16, 2006

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