7XSV
 
 | | Crystal Structures of PIM1 in Complex with Macrocyclic Compound H3 | | 分子名称: | 8-Methyl-2,5,20-trioxa-8,13,17-triazatetracyclo[11.10.2.014,19.021,25]pentacosa-1(24),14(19),15,17,21(25),22-hexaene, Serine/threonine-protein kinase pim-1 | | 著者 | Shen, C, Xie, Y, Ren, X, Zhou, Y, Niu, H. | | 登録日 | 2022-05-15 | | 公開日 | 2022-07-13 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | | 主引用文献 | Design, synthesis, and bioactivity evaluation of macrocyclic benzo[b]pyrido[4,3-e][1,4]oxazine derivatives as novel Pim-1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 72, 2022
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1GZ8
 | | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 2-Amino-6-(3'-methyl-2'-oxo)butoxypurine | | 分子名称: | 1-[(2-AMINO-6,9-DIHYDRO-1H-PURIN-6-YL)OXY]-3-METHYL-2-BUTANOL, CELL DIVISION PROTEIN KINASE 2 | | 著者 | Davies, T, Endicott, J, Johnson, L, Noble, M, Tucker, J. | | 登録日 | 2002-05-17 | | 公開日 | 2003-06-12 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Probing the ATP Ribose-Binding Domain of Cyclin-Dependent Kinases 1 and 2 with O(6)-Substituted Guanine Derivatives
J.Med.Chem., 45, 2002
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1H0W
 | | Human cyclin dependent protein kinase 2 in complex with the inhibitor 2-Amino-6-[cyclohex-3-enyl]methoxypurine | | 分子名称: | 1-AMINO-6-CYCLOHEX-3-ENYLMETHYLOXYPURINE, CELL DIVISION PROTEIN KINASE 2 | | 著者 | Gibson, A.E, Arris, C.E, Bentley, J, Boyle, F.T, Curtin, N.J, Davies, T.G, Endicott, J.A, Golding, B.T, Grant, S, Griffin, R.J, Jewsbury, P, Johnson, L.N, Mesguiche, V, Newell, D.R, Noble, M.E.M, Tucker, J.A, Whitfield, H.J. | | 登録日 | 2002-06-27 | | 公開日 | 2003-06-27 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Probing the ATP Ribose-Binding Domain of Cyclin-Dependent Kinases 1 and 2 with O(6)-Substituted Guanine Derivatives
J.Med.Chem., 45, 2002
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7X4H
 | | Crystal structure of CK2a1 complexed with AG1112 | | 分子名称: | 5-azanyl-3-[(~{Z})-1-cyano-2-(1~{H}-indol-3-yl)ethenyl]-1~{H}-pyrazole-4-carbonitrile, Casein Kinase 2 subunit alpha | | 著者 | Ikeda, A, Kinoshita, T, Tsuyuguchi, M. | | 登録日 | 2022-03-02 | | 公開日 | 2023-01-18 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Bivalent binding mode of an amino-pyrazole inhibitor indicates the potentials for CK2 alpha 1-selective inhibitors.
Biochem.Biophys.Res.Commun., 630, 2022
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1H8F
 | | Glycogen Synthase Kinase 3 beta. | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCOGEN SYNTHASE KINASE-3 BETA | | 著者 | Dajani, R, Pearl, L.H, Roe, S.M. | | 登録日 | 2001-02-05 | | 公開日 | 2002-01-31 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystal Structure of Glycogen Synthase Kinase 3Beta . Structural Basis for Phosphate-Primed Substrate Specificity and Autoinhibition
Cell(Cambridge,Mass.), 105, 2001
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7XBR
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7XLP
 | | MEK1 bound to DS03090629 | | 分子名称: | (1~{R},3~{S})-3-[[6-[2-chloranyl-4-(4-methylpyrimidin-2-yl)oxy-phenyl]-3-methyl-1~{H}-indazol-4-yl]oxy]cyclohexan-1-amine, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | 著者 | Kishikawa, S, Takano, K, Ubukata, O, Hanzawa, H. | | 登録日 | 2022-04-22 | | 公開日 | 2023-03-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Discovery of a Novel ATP-Competitive MEK Inhibitor DS03090629 that Overcomes Resistance Conferred by BRAF Overexpression in BRAF-Mutated Melanoma.
Mol.Cancer Ther., 22, 2023
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1H1W
 | | High resolution crystal structure of the human PDK1 catalytic domain | | 分子名称: | 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... | | 著者 | Biondi, R.M, Komander, D, Thomas, C.C, Lizcano, J.M, Deak, M, Alessi, D.R, Van Aalten, D.M.F. | | 登録日 | 2002-07-23 | | 公開日 | 2003-07-17 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | High Resolution Crystal Structure of the Human Pdk1 Catalytic Domain Defines the Regulatory Phosphopeptide Docking Site
Embo J., 21, 2003
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1HCL
 | | HUMAN CYCLIN-DEPENDENT KINASE 2 | | 分子名称: | HUMAN CYCLIN-DEPENDENT KINASE 2 | | 著者 | Schulze-Gahmen, U, De Bondt, H.L, Kim, S.-H. | | 登録日 | 1996-06-03 | | 公開日 | 1996-12-07 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | High-resolution crystal structures of human cyclin-dependent kinase 2 with and without ATP: bound waters and natural ligand as guides for inhibitor design.
J.Med.Chem., 39, 1996
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7XNC
 | | MEK1 bound to DS94070624 | | 分子名称: | CALCIUM ION, DIMETHYL SULFOXIDE, Dual specificity mitogen-activated protein kinase kinase 1, ... | | 著者 | Kishikawa, S, Takano, K, Ubukata, O, Hanzawa, H. | | 登録日 | 2022-04-28 | | 公開日 | 2023-03-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Discovery of a Novel ATP-Competitive MEK Inhibitor DS03090629 that Overcomes Resistance Conferred by BRAF Overexpression in BRAF-Mutated Melanoma.
Mol.Cancer Ther., 22, 2023
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7X4U
 | | Crystal structure of ERK2 with an allosteric inhibitor 2 | | 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, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ... | | 著者 | Yoshida, M, Kinoshita, T. | | 登録日 | 2022-03-03 | | 公開日 | 2023-03-08 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Structural basis for producing allosteric ERK2 inhibitors
To Be Published
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7XC1
 | | Crystal structure of ERK2 with an allosteric inhibitor 3 | | 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, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ... | | 著者 | Yoshida, M, Kinoshita, T. | | 登録日 | 2022-03-22 | | 公開日 | 2023-03-22 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Structural basis for ERK2 allosteric inhibitors.
To Be Published
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1HOW
 | | THE X-RAY CRYSTAL STRUCTURE OF SKY1P, AN SR PROTEIN KINASE IN YEAST | | 分子名称: | 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE YMR216C, SULFATE ION | | 著者 | Nolen, B.J, Yun, C.Y, Wong, C.F, McCammon, J.A, Fu, X.-D, Ghosh, G. | | 登録日 | 2000-12-11 | | 公開日 | 2001-02-28 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The structure of Sky1p reveals a novel mechanism for constitutive activity.
Nat.Struct.Biol., 8, 2001
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1I09
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7Y1G
 | | Crystal structure of human PRKACA complexed with DS01080522 | | 分子名称: | 1-chloranyl-~{N}-[(~{S})-(3-chloranyl-4-cyano-phenyl)-[(2~{R},4~{S})-4-oxidanylpyrrolidin-2-yl]methyl]-7-methoxy-isoquinoline-6-carboxamide, ZINC ION, cAMP-dependent protein kinase catalytic subunit alpha | | 著者 | Suzuki, M, Ubukata, O, Toyoda, A. | | 登録日 | 2022-06-08 | | 公開日 | 2022-09-28 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Novel protein kinase cAMP-Activated Catalytic Subunit Alpha (PRKACA) inhibitor shows anti-tumor activity in a fibrolamellar hepatocellular carcinoma model.
Biochem.Biophys.Res.Commun., 621, 2022
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7XZQ
 | | Crystal structure of TNIK-thiopeptide TP1 complex | | 分子名称: | 1,4-BUTANEDIOL, TRAF2 and NCK-interacting protein kinase, thiopeptide TP1 | | 著者 | Hamada, K, Vinogradov, A.A, Zhang, Y, Chang, J.S, Nishimura, H, Goto, Y, Onaka, H, Suga, H, Ogata, K, Sengoku, T. | | 登録日 | 2022-06-03 | | 公開日 | 2022-10-26 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | De Novo Discovery of Thiopeptide Pseudo-natural Products Acting as Potent and Selective TNIK Kinase Inhibitors.
J.Am.Chem.Soc., 144, 2022
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1IAN
 | | HUMAN P38 MAP KINASE INHIBITOR COMPLEX | | 分子名称: | 4-[5-(3-IODO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-1H-IMIDAZOL-4-YL]-PYRIDINE, P38 MAP KINASE | | 著者 | Tong, L. | | 登録日 | 1997-03-07 | | 公開日 | 1998-05-06 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A highly specific inhibitor of human p38 MAP kinase binds in the ATP pocket.
Nat.Struct.Biol., 4, 1997
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7XZR
 | | Crystal structure of TNIK-AMPPNP-thiopeptide TP15 complex | | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ... | | 著者 | Hamada, K, Vinogradov, A.A, Zhang, Y, Chang, J.S, Nishimura, H, Goto, Y, Onaka, H, Suga, H, Ogata, K, Sengoku, T. | | 登録日 | 2022-06-03 | | 公開日 | 2022-10-26 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | De Novo Discovery of Thiopeptide Pseudo-natural Products Acting as Potent and Selective TNIK Kinase Inhibitors.
J.Am.Chem.Soc., 144, 2022
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7XYH
 | | Crystal structure of CK2a2 complexed with AG1112 | | 分子名称: | 1,2-ETHANEDIOL, 5-azanyl-3-[(~{Z})-1-cyano-2-(1~{H}-indol-3-yl)ethenyl]-1~{H}-pyrazole-4-carbonitrile, Casein kinase II subunit alpha' | | 著者 | Ikeda, A, Kinoshita, T, Tsuyuguchi, M. | | 登録日 | 2022-06-01 | | 公開日 | 2023-01-18 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Bivalent binding mode of an amino-pyrazole inhibitor indicates the potentials for CK2 alpha 1-selective inhibitors.
Biochem.Biophys.Res.Commun., 630, 2022
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4UV0
 | | Structure of a semisynthetic phosphorylated DAPK | | 分子名称: | DEATH-ASSOCIATED PROTEIN KINASE 1, TRIETHYLENE GLYCOL | | 著者 | de Diego, I, Rios, P, Meyer, C, Koehn, M, Wilmanns, M. | | 登録日 | 2014-08-01 | | 公開日 | 2015-08-12 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | | 主引用文献 | Molecular Mechanisms Behind Dapk Regulation: How the Phosphorylation Activity Switch Works
To be Published
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4UX9
 | | Crystal structure of JNK1 bound to a MKK7 docking motif | | 分子名称: | DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 7, MITOGEN-ACTIVATED PROTEIN KINASE 8, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | 著者 | Kragelj, J, Palencia, A, Nanao, M.H, Maurin, D, Bouvignies, G, Blackledge, M, Ringkjobing-Jensen, M. | | 登録日 | 2014-08-20 | | 公開日 | 2015-03-25 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Structure and Dynamics of the Mkk7-Jnk Signaling Complex.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4WB6
 | | Crystal structure of a L205R mutant of human cAMP-dependent protein kinase A (catalytic alpha subunit) | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PKI (5-24), ... | | 著者 | Cheung, J, Ginter, C, Cassidy, M, Franklin, M.C, Rudolph, M.J, Hendrickson, W.A. | | 登録日 | 2014-09-02 | | 公開日 | 2015-01-21 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural insights into mis-regulation of protein kinase A in human tumors.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4W9W
 | | Crystal Structure of BMP-2-inducible kinase in complex with small molecule AZD-7762 | | 分子名称: | 1,2-ETHANEDIOL, 5-(3-fluorophenyl)-N-[(3S)-3-piperidyl]-3-ureido-thiophene-2-carboxamide, BMP-2-inducible protein kinase | | 著者 | Sorrell, F.J, Elkins, J.M, Krojer, T, Savitsky, P, Williams, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2014-08-28 | | 公開日 | 2014-09-10 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Family-wide Structural Analysis of Human Numb-Associated Protein Kinases.
Structure, 24, 2016
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4W4V
 | | JNK2/3 in complex with 3-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide | | 分子名称: | 3-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide, c-Jun N-terminal kinase 3 | | 著者 | Park, H, Iqbal, S, Hernandez, P, Mora, R, Zheng, K, Feng, Y, LoGrasso, P. | | 登録日 | 2014-08-15 | | 公開日 | 2015-02-11 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Structural Basis and Biological Consequences for JNK2/3 Isoform Selective Aminopyrazoles.
Sci Rep, 5, 2015
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4W4Y
 | | JNK2/3 in complex with 3-(4-{[(4-methylphenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide | | 分子名称: | 3-(4-{[(4-methylphenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide, c-jun NH2-terminal kinase 3 | | 著者 | Park, H, Iqbal, S, Hernandez, P, Mora, R, Zheng, K, Feng, Y, LoGrasso, P. | | 登録日 | 2014-08-15 | | 公開日 | 2015-02-11 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural Basis and Biological Consequences for JNK2/3 Isoform Selective Aminopyrazoles.
Sci Rep, 5, 2015
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