5KKR
 
 | | KSR2:MEK1 Complex Bound to the Small Molecule APS-2-79 | | 分子名称: | 6,7-dimethoxy-~{N}-(2-methyl-4-phenoxy-phenyl)quinazolin-4-amine, Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 2 | | 著者 | Dhawan, N.S, Scopton, A.P, Dar, A.C. | | 登録日 | 2016-06-22 | | 公開日 | 2016-08-31 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.509 Å) | | 主引用文献 | Small molecule stabilization of the KSR inactive state antagonizes oncogenic Ras signalling.
Nature, 537, 2016
|
|
5KE0
 | | Discovery of 1-1H-Pyrazolo 4,3-c pyridine-6-yl urea Inhibitors of Extracellular Signal Regulated Kinase ERK for the Treatment of Cancers | | 分子名称: | 1-[3-(2-methylpyridin-4-yl)-1~{H}-pyrazolo[4,3-c]pyridin-6-yl]-3-(phenylmethyl)urea, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Hruza, A, Lim, J. | | 登録日 | 2016-06-09 | | 公開日 | 2016-07-06 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Discovery of 1-(1H-Pyrazolo[4,3-c]pyridin-6-yl)urea Inhibitors of Extracellular Signal-Regulated Kinase (ERK) for the Treatment of Cancers.
J.Med.Chem., 59, 2016
|
|
5K4I
 | | Crystal Structure of ERK2 in complex with compound 22 | | 分子名称: | 1,2-ETHANEDIOL, 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 | Yin, J, Wang, W. | | 登録日 | 2016-05-20 | | 公開日 | 2016-07-06 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development.
J.Med.Chem., 59, 2016
|
|
5JPA
 | |
5IRT
 | |
5HZE
 | | Mek1 adopts DFG-out conformation when bound to an analog of E6201. | | 分子名称: | (3S,4R,8S,9S,11E)-8,9,16-trihydroxy-3,4-dimethyl-14-(methylamino)-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION | | 著者 | Larsen, N.A, Bloudoff, K. | | 登録日 | 2016-02-02 | | 公開日 | 2017-05-03 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Mek1 adopts DFG-out conformation when bound to an analog of E6201.
To Be Published
|
|
5HGP
 | |
5HGO
 | |
5HGN
 | |
5HGM
 | |
5HGL
 | | Hexameric HIV-1 CA, open conformation | | 分子名称: | CHLORIDE ION, Capsid protein P24, N-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE | | 著者 | Price, A.J, Jacques, D.A, James, L.C. | | 登録日 | 2016-01-08 | | 公開日 | 2016-08-10 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | HIV-1 uses dynamic capsid pores to import nucleotides and fuel encapsidated DNA synthesis.
Nature, 536, 2016
|
|
5HD7
 | | Dissecting Therapeutic Resistance to ERK Inhibition Rat Mutant SCH772984 in complex with (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide | | 分子名称: | (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Jha, S, Morris, E.J, Hruza, A, Mansueto, M.S, Schroeder, G, Arbanas, J, McMasters, D, Restaino, C.R, Dayananth, R, Black, S, Elsen, N.L, Mannarino, A, Cooper, A, Fawell, S, Zawel, L, Jayaraman, L, Samatar, A.A. | | 登録日 | 2016-01-04 | | 公開日 | 2016-02-24 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Dissecting Therapeutic Resistance to ERK Inhibition.
Mol.Cancer Ther., 15, 2016
|
|
5HD4
 | | Dissecting Therapeutic Resistance to ERK Inhibition Rat Wild Type SCH772984 in complex with (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide | | 分子名称: | (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... | | 著者 | Jha, S, Morris, E.J, Hruza, A, Mansueto, M.S, Schroeder, G, Arbanas, J, McMasters, D, Restaino, C.R, Dayananth, R, Black, S, Elsen, N.L, Mannarino, A, Cooper, A, Fawell, S, Zawel, L, Jayaraman, L, Samatar, A.A. | | 登録日 | 2016-01-04 | | 公開日 | 2016-02-24 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Dissecting Therapeutic Resistance to ERK Inhibition.
Mol.Cancer Ther., 15, 2016
|
|
5EYM
 | | MEK1 IN COMPLEX WITH BI 847325 | | 分子名称: | 3-[(3~{Z})-3-[[[4-[(dimethylamino)methyl]phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1~{H}-indol-6-yl]-~{N}-ethyl-prop-2-ynamide, CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1 | | 著者 | Bader, G, Reiser, U, Zahn, S.K, Treu, M. | | 登録日 | 2015-11-25 | | 公開日 | 2016-08-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Pharmacological Profile of BI 847325, an Orally Bioavailable, ATP-Competitive Inhibitor of MEK and Aurora Kinases.
Mol.Cancer Ther., 15, 2016
|
|
5BXV
 | | eIF4E complex | | 分子名称: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, Eukaryotic translation initiation factor 4E, Eukaryotic translation initiation factor 4E-binding protein 1 | | 著者 | Sekiyama, N, Arthanari, H, Papdopoulos, E, Rodriguez-Mias, R.A, Wagner, G, Leger-Abraham, M. | | 登録日 | 2015-06-09 | | 公開日 | 2015-07-15 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Molecular mechanism of the dual activity of 4EGI-1: Dissociating eIF4G from eIF4E but stabilizing the binding of unphosphorylated 4E-BP1.
Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
5BX0
 | |
5BVF
 | | Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase | | 分子名称: | 2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-8-(2-{[(1S,3R)-3-hydroxycyclopentyl]amino}pyrimidin-4-yl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-1-one, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Ma, X, Steven, S. | | 登録日 | 2015-06-05 | | 公開日 | 2015-09-09 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
|
|
5BVE
 | | Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase | | 分子名称: | 2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-8-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-1-one, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Ma, X, Steven, S. | | 登録日 | 2015-06-05 | | 公開日 | 2015-09-09 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
|
|
5BVD
 | | Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase | | 分子名称: | 2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-7-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Ma, X, Steven, S. | | 登録日 | 2015-06-05 | | 公開日 | 2015-09-09 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
|
|
5BUJ
 | | ERK2 complexed with a N-H tetrahydroazaindazole | | 分子名称: | 4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1 | | 著者 | Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T. | | 登録日 | 2015-06-03 | | 公開日 | 2015-07-15 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
|
|
5BUE
 | | ERK2 complexed with N-benzylpyridone tetrahydroazaindazole | | 分子名称: | 1-benzyl-4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1, NICKEL (II) ION | | 著者 | Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T. | | 登録日 | 2015-06-03 | | 公開日 | 2015-07-15 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
|
|
5AX3
 | | Crystal structure of ERK2 complexed with allosteric and ATP-competitive inhibitors. | | 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, Mitogen-activated protein kinase 1, allosteric and ATP-competitive inhibitor | | 著者 | Kinoshita, T, Sugiyama, H, Mori, Y, Takahashi, N, Tomonaga, A. | | 登録日 | 2015-07-14 | | 公開日 | 2016-02-10 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.984 Å) | | 主引用文献 | Identification of allosteric ERK2 inhibitors through in silico biased screening and competitive binding assay
Bioorg.Med.Chem.Lett., 26, 2016
|
|
4ZXT
 | | Complex of ERK2 with catechol | | 分子名称: | AMMONIUM ION, CATECHOL, Mitogen-activated protein kinase 1, ... | | 著者 | Kurinov, I, Malakhova, M. | | 登録日 | 2015-05-20 | | 公開日 | 2016-05-25 | | 最終更新日 | 2016-10-05 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A natural small molecule, catechol, induces c-Myc degradation by directly targeting ERK2 in lung cancer.
Oncotarget, 7, 2016
|
|
4XRQ
 | |
4XRO
 | |
