5LCJ
 
 | |
5LCK
 | | A Clickable Covalent ERK 1/2 Inhibitor | | 分子名称: | Mitogen-activated protein kinase 1, SULFATE ION, ~{N}-[2-[[2-[(5-methoxypyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]propanamide | | 著者 | O'Reilly, M, Wright, D. | | 登録日 | 2016-06-22 | | 公開日 | 2016-07-20 | | 最終更新日 | 2018-03-28 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | In-gel activity-based protein profiling of a clickable covalent ERK1/2 inhibitor.
Mol Biosyst, 12, 2016
|
|
4NIF
 | | Heterodimeric structure of ERK2 and RSK1 | | 分子名称: | Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-1, ... | | 著者 | Gogl, G, Remenyi, A. | | 登録日 | 2013-11-06 | | 公開日 | 2014-11-12 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structural assembly of the signaling competent ERK2-RSK1 heterodimeric protein kinase complex
Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
4N0S
 | | Complex of ERK2 with caffeic acid | | 分子名称: | CAFFEIC ACID, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | 著者 | Kurinov, I, Malakhova, M. | | 登録日 | 2013-10-02 | | 公開日 | 2014-08-27 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.7992 Å) | | 主引用文献 | Caffeic Acid Directly Targets ERK1/2 to Attenuate Solar UV-Induced Skin Carcinogenesis.
Cancer Prev Res (Phila), 7, 2014
|
|
4IZ7
 | |
7AUV
 | | The structure of ERK2 in complex with dual inhibitor ASTX029 | | 分子名称: | (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... | | 著者 | O'Reilly, M. | | 登録日 | 2020-11-03 | | 公開日 | 2021-10-06 | | 最終更新日 | 2021-10-13 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | ASTX029, a Novel Dual-mechanism ERK Inhibitor, Modulates Both the Phosphorylation and Catalytic Activity of ERK.
Mol.Cancer Ther., 20, 2021
|
|
4H3Q
 | | Crystal structure of human ERK2 complexed with a MAPK docking peptide | | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 2, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | 著者 | Gogl, G, Toeroe, I, Remenyi, A. | | 登録日 | 2012-09-14 | | 公開日 | 2013-02-27 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Protein-peptide complex crystallization: a case study on the ERK2 mitogen-activated protein kinase
Acta Crystallogr.,Sect.D, 69, 2013
|
|
4IZA
 | |
4IZ5
 | | Structure of the complex between ERK2 phosphomimetic mutant and PEA-15 | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Astrocytic phosphoprotein PEA-15, Mitogen-activated protein kinase 1, ... | | 著者 | Mace, P.D, Robinson, H, Riedl, S.J. | | 登録日 | 2013-01-29 | | 公開日 | 2013-04-10 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3.19 Å) | | 主引用文献 | Structure of ERK2 bound to PEA-15 reveals a mechanism for rapid release of activated MAPK.
Nat Commun, 4, 2013
|
|
7E73
 | |
7E75
 | |
6NBS
 | | WT ERK2 with compound 2507-8 | | 分子名称: | (5S)-5-benzyl-4,5-dihydro-1H-imidazol-2-amine, GLYCEROL, Mitogen-activated protein kinase 1, ... | | 著者 | Sammons, R.M, Perry, N.A, Cho, E.J, Kaoud, T.S, Zamora-Olivares, D.P, Piserchio, A, Houghten, R.A, Giulianotti, M, Li, Y, Debevec, G, Gurevich, V.V, Ghose, R, Iverson, T.M, Dalby, K.N. | | 登録日 | 2018-12-10 | | 公開日 | 2019-07-31 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | A Novel Class of Common Docking Domain Inhibitors That Prevent ERK2 Activation and Substrate Phosphorylation.
Acs Chem.Biol., 14, 2019
|
|
6OPI
 | | phosphorylated ERK2 with SCH-CPD336 | | 分子名称: | (3R)-N-[3-(2-cyclopropylpyridin-4-yl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}ethyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1 | | 著者 | Vigers, G.P, Smith, D. | | 登録日 | 2019-04-25 | | 公開日 | 2019-07-31 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6OPG
 | | phosphorylated ERK2 with AMP-PNP | | 分子名称: | MAGNESIUM ION, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | 著者 | Vigers, G.P, Smith, D. | | 登録日 | 2019-04-25 | | 公開日 | 2019-07-31 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6OPH
 | | phosphorylated ERK2 with GDC-0994 | | 分子名称: | 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Mitogen-activated protein kinase 1 | | 著者 | Vigers, G.P, Smith, D. | | 登録日 | 2019-04-25 | | 公開日 | 2019-07-31 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
3W55
 | | The structure of ERK2 in complex with FR148083 | | 分子名称: | (3S,5Z,8S,9S,11E)-8,9,16-trihydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, Mitogen-activated protein kinase 1 | | 著者 | Ohori, M, Kinoshita, T. | | 登録日 | 2013-01-21 | | 公開日 | 2013-02-06 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Role of a cysteine residue in the active site of ERK and the MAPKK family
Biochem.Biophys.Res.Commun., 353, 2007
|
|
7W5O
 | | Crystal structure of ERK2 with an allosteric inhibitor | | 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, 13-[4-({Imidazo[1,2-a]pyridin-2-yl}methoxy)phenyl]-4,8-dioxa-12,14,16,18-tetraazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,9,15,17-pentaen-15-amine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Yoshida, M, Kinoshita, T. | | 登録日 | 2021-11-30 | | 公開日 | 2022-02-23 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Identification of a novel target site for ATP-independent ERK2 inhibitors.
Biochem.Biophys.Res.Commun., 593, 2022
|
|
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
|
|
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
|
|
7NR3
 | | Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2 | | 分子名称: | 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]-3~{H}-isoindol-1-one, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | O'Reilly, M. | | 登録日 | 2021-03-02 | | 公開日 | 2021-10-06 | | 実験手法 | X-RAY DIFFRACTION (1.897 Å) | | 主引用文献 | Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J.Med.Chem., 64, 2021
|
|
7NQQ
 | |
7NR9
 | |
7NR5
 | | Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2 | | 分子名称: | (2~{R})-2-[5-[5-chloranyl-2-[(2-methyl-1,2,3-triazol-4-yl)amino]pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | O'Reilly, M, Cleasby, A. | | 登録日 | 2021-03-03 | | 公開日 | 2021-10-06 | | 実験手法 | X-RAY DIFFRACTION (1.766 Å) | | 主引用文献 | Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J.Med.Chem., 64, 2021
|
|
7NR8
 | | Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2 | | 分子名称: | (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-2-oxidanyl-ethyl]propanamide, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | | 著者 | O'Reilly, M, Cleasby, A. | | 登録日 | 2021-03-03 | | 公開日 | 2021-10-06 | | 実験手法 | X-RAY DIFFRACTION (1.627 Å) | | 主引用文献 | Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J.Med.Chem., 64, 2021
|
|
7NQW
 | | Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2 | | 分子名称: | 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]-3~{H}-isoindol-1-one, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... | | 著者 | O'Reilly, M. | | 登録日 | 2021-03-02 | | 公開日 | 2021-10-06 | | 実験手法 | X-RAY DIFFRACTION (1.775 Å) | | 主引用文献 | Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J.Med.Chem., 64, 2021
|
|
