6FN5
 
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6FMA
 | | Crystal structure of ERK2 in complex with an adenosine derivative | | 分子名称: | 3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(azidomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanylpropanoic acid, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... | | 著者 | Gelin, M, Labesse, G. | | 登録日 | 2018-01-30 | | 公開日 | 2019-03-13 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.667 Å) | | 主引用文献 | None
To be published
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6FLV
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6FLE
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6FJZ
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6FJB
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6FJ0
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6FI6
 | | Crystal structure of ERK2 in complex with an adenosine derivative | | 分子名称: | (2~{R},3~{R},4~{S},5~{R})-2-(6-azanyl-8-diazanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... | | 著者 | Gelin, M, Labesse, G. | | 登録日 | 2018-01-17 | | 公開日 | 2019-01-30 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Crystal structure of ERK2 in complex with an adenosine derivative
To be published
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6FI3
 | | Crystal structure of ERK2 in complex with an adenosine derivative | | 分子名称: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-(azanyloxymethyl)oxolane-3,4-diol, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... | | 著者 | Gelin, M, Labesse, G. | | 登録日 | 2018-01-16 | | 公開日 | 2019-01-30 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | Crystal structure of ERK2 in complex with an adenosine derivative
To be published
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6ES8
 | | HIV capsid hexamer with IP6 ligand | | 分子名称: | Gag protein, INOSITOL HEXAKISPHOSPHATE | | 著者 | James, L.C. | | 登録日 | 2017-10-19 | | 公開日 | 2018-08-15 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | IP6 is an HIV pocket factor that prevents capsid collapse and promotes DNA synthesis.
Elife, 7, 2018
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6ECO
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6ECN
 | | HIV-1 CA 1/2-hexamer-EE | | 分子名称: | HIV-1 CA | | 著者 | Summers, B.J, Xiong, Y. | | 登録日 | 2018-08-08 | | 公開日 | 2019-08-21 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | Modular HIV-1 Capsid Assemblies Reveal Diverse Host-Capsid Recognition Mechanisms.
Cell Host Microbe, 26, 2019
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6EC2
 | | Structure of HIV-1 CA 1/3-hexamer | | 分子名称: | ACETATE ION, Capsid protein p24 | | 著者 | Summers, B.J, Xiong, Y. | | 登録日 | 2018-08-07 | | 公開日 | 2019-08-21 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | Modular HIV-1 Capsid Assemblies Reveal Diverse Host-Capsid Recognition Mechanisms.
Cell Host Microbe, 26, 2019
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6DMG
 | | A multiconformer ligand model of EK6 bound to ERK2 | | 分子名称: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... | | 著者 | Hudson, B.M, van Zundert, G.C.P, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H. | | 登録日 | 2018-06-05 | | 公開日 | 2018-12-19 | | 最終更新日 | 2019-04-24 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps.
J. Med. Chem., 61, 2018
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6DCG
 | | Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology | | 分子名称: | (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Boga, S.B, Deng, Y, Zhu, L, Nan, Y, Cooper, A, Shipps Jr, G.W, Doll, R, Shih, N, Zhu, H, Sun, R, Wang, T, Paliwal, S, Tsui, H, Gao, X, Yao, X, Desai, J, Wang, J, Alhassan, A.B, Kelly, J, Patel, M, Muppalla, K, Gudipati, S, Zhang, L, Buevich, A, Hesk, D, Carr, D, Dayananth, P, Mei, H, Cox, K, Sherborne, B, Hruza, A.W, Xiao, L, Jin, W, Long, B, Liu, G, Taylor, S.A, Kirschmeier, P, Windsor, W.T, Bishop, R, Samatar, A.A. | | 登録日 | 2018-05-06 | | 公開日 | 2018-08-08 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology.
ACS Med Chem Lett, 9, 2018
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6D5Y
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6CPW
 | | Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology | | 分子名称: | (3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Hruza, A, Hruza, A. | | 登録日 | 2018-03-14 | | 公開日 | 2018-05-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology.
Bioorg. Med. Chem. Lett., 28, 2018
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6BHT
 | | HIV-1 CA hexamer in complex with IP6, orthorhombic crystal form | | 分子名称: | Capsid protein p24, INOSITOL HEXAKISPHOSPHATE | | 著者 | Zadrozny, K, Wagner, J.M, Ganser-Pornillos, B.K, Pornillos, O. | | 登録日 | 2017-10-31 | | 公開日 | 2018-08-01 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.689 Å) | | 主引用文献 | Inositol phosphates are assembly co-factors for HIV-1.
Nature, 560, 2018
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6BHS
 | | HIV-1 CA hexamer in complex with IP6, hexagonal crystal form | | 分子名称: | Capsid protein p24, INOSITOL HEXAKISPHOSPHATE | | 著者 | Zadrozny, K, Wagner, J.M, Ganser-Pornillos, B.K, Pornillos, O. | | 登録日 | 2017-10-31 | | 公開日 | 2018-08-01 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.984 Å) | | 主引用文献 | Inositol phosphates are assembly co-factors for HIV-1.
Nature, 560, 2018
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6BCX
 | | mTORC1 structure refined to 3.0 angstroms | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Eukaryotic translation initiation factor 4E-binding protein 1, MAGNESIUM ION, ... | | 著者 | Pavletich, N.P, Yang, H. | | 登録日 | 2017-10-20 | | 公開日 | 2017-12-20 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (3.23 Å) | | 主引用文献 | Mechanisms of mTORC1 activation by RHEB and inhibition by PRAS40.
Nature, 552, 2017
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6BCU
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6B2K
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6B2J
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6B2I
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6B2H
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