7ML7
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3HA8
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![BU of 3ha8 by Molmil](/molmil-images/mine/3ha8) | THE COMPLEX STRUCTURE OF THE MAP KINASE P38/Compound 14b | 分子名称: | Mitogen-activated protein kinase 14, N~2~-{4-[6-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-1H-benzimidazol-1-yl]-6-ethoxy-1,3,5-triazin-2-yl}-3-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-N-methyl-L-alaninamide | 著者 | Zhao, B, Clark, M.A. | 登録日 | 2009-05-01 | 公開日 | 2009-08-04 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Design, synthesis and selection of DNA-encoded small-molecule libraries. Nat.Chem.Biol., 5, 2009
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5XVA
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![BU of 5xva by Molmil](/molmil-images/mine/5xva) | Crystal Structure of PAK4 in complex with inhibitor CZH216 | 分子名称: | ETHANOL, Serine/threonine-protein kinase PAK 4, [6-chloranyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3R)-3-methylpiperazin-1-yl]methanone | 著者 | Zhao, F, Li, H. | 登録日 | 2017-06-27 | 公開日 | 2018-02-07 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.847 Å) | 主引用文献 | Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors. J. Med. Chem., 61, 2018
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5XVG
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![BU of 5xvg by Molmil](/molmil-images/mine/5xvg) | Crystal Structure of PAK4 in complex with inhibitor CZH226 | 分子名称: | 1,2-ETHANEDIOL, ETHANOL, Serine/threonine-protein kinase PAK 4, ... | 著者 | Zhao, F, Li, H. | 登録日 | 2017-06-27 | 公開日 | 2018-02-07 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors. J. Med. Chem., 61, 2018
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3HDB
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![BU of 3hdb by Molmil](/molmil-images/mine/3hdb) | Crystal structure of AaHIV, A metalloproteinase from venom of Agkistrodon Acutus | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AAHIV, CALCIUM ION, ... | 著者 | Zhu, Z.Q, Niu, L.W, Teng, M.K. | 登録日 | 2009-05-07 | 公開日 | 2009-08-11 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Structural basis of the autolysis of AaHIV suggests a novel target recognizing model for ADAM/reprolysin family proteins Biochem.Biophys.Res.Commun., 386, 2009
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3HIE
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8HHT
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![BU of 8hht by Molmil](/molmil-images/mine/8hht) | Crystal structure of the SARS-CoV-2 main protease in complex with Hit-1 | 分子名称: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide | 著者 | Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | 登録日 | 2022-11-17 | 公開日 | 2023-03-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants. Signal Transduct Target Ther, 8, 2023
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8HHU
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![BU of 8hhu by Molmil](/molmil-images/mine/8hhu) | Crystal structure of the SARS-CoV-2 main protease in complex with SY110 | 分子名称: | (1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide, 3C-like proteinase nsp5 | 著者 | Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | 登録日 | 2022-11-17 | 公開日 | 2023-03-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.258 Å) | 主引用文献 | A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants. Signal Transduct Target Ther, 8, 2023
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7DQ7
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![BU of 7dq7 by Molmil](/molmil-images/mine/7dq7) | Cryo-EM structure of Coxsackievirus B1 mature virion in complex with nAb 5F5 | 分子名称: | 5F5 VH, 5F5 VL, Capsid protein VP4, ... | 著者 | Li, S, Zhu, R, Xu, L, Cheng, T, Zheng, Q. | 登録日 | 2020-12-22 | 公開日 | 2021-05-05 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Cryo-EM structures reveal the molecular basis of receptor-initiated coxsackievirus uncoating. Cell Host Microbe, 29, 2021
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7DPF
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7DQ4
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![BU of 7dq4 by Molmil](/molmil-images/mine/7dq4) | Cryo-EM structure of CAR triggered Coxsackievirus B1 A-particle | 分子名称: | VP2, VP3, Virion protein 1 | 著者 | Li, S, Zhu, R, Xu, L, Cheng, T, Zheng, Q. | 登録日 | 2020-12-22 | 公開日 | 2021-05-05 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Cryo-EM structures reveal the molecular basis of receptor-initiated coxsackievirus uncoating. Cell Host Microbe, 29, 2021
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7DPZ
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![BU of 7dpz by Molmil](/molmil-images/mine/7dpz) | Cryo-EM structure of Coxsackievirus B1 virion in complex with CAR | 分子名称: | Capsid protein VP4, Coxsackievirus and adenovirus receptor, VP2, ... | 著者 | Li, S, Zhu, R, Xu, L, Cheng, T, Zheng, Q. | 登録日 | 2020-12-22 | 公開日 | 2021-05-05 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Cryo-EM structures reveal the molecular basis of receptor-initiated coxsackievirus uncoating. Cell Host Microbe, 29, 2021
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7DNC
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![BU of 7dnc by Molmil](/molmil-images/mine/7dnc) | Crystal structure of EV71 3C proteinase in complex with a novel inhibitor | 分子名称: | 3C protease, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | 著者 | Xie, H, Su, H.X, Li, M.J, Xu, Y.C. | 登録日 | 2020-12-09 | 公開日 | 2021-05-05 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | 主引用文献 | Design, Synthesis, and Biological Evaluation of Peptidomimetic Aldehydes as Broad-Spectrum Inhibitors against Enterovirus and SARS-CoV-2. J.Med.Chem., 65, 2022
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7DQ1
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![BU of 7dq1 by Molmil](/molmil-images/mine/7dq1) | Cryo-EM structure of Coxsackievirus B1 virion in complex with CAR at physiological temperature | 分子名称: | Capsid protein VP4, Coxsackievirus and adenovirus receptor, VP2, ... | 著者 | Li, S, Zhu, R, Xu, L, Cheng, T, Zheng, Q. | 登録日 | 2020-12-22 | 公開日 | 2021-05-05 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Cryo-EM structures reveal the molecular basis of receptor-initiated coxsackievirus uncoating. Cell Host Microbe, 29, 2021
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7DPG
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![BU of 7dpg by Molmil](/molmil-images/mine/7dpg) | Cryo-EM structure of Coxsackievirus B1 empty particle | 分子名称: | VP2, VP3, Virion protein 1 | 著者 | Li, S, Zhu, R, Xu, L, Cheng, T, Zheng, Q, Xia, N. | 登録日 | 2020-12-18 | 公開日 | 2021-05-05 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Cryo-EM structures reveal the molecular basis of receptor-initiated coxsackievirus uncoating. Cell Host Microbe, 29, 2021
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5IQ7
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![BU of 5iq7 by Molmil](/molmil-images/mine/5iq7) | Crystal structure of 10E8-S74W Fab in complex with an HIV-1 gp41 peptide. | 分子名称: | 10E8-S74W Heavy Chain, 10E8-S74W Light Chain, gp41 MPER peptide | 著者 | Ofek, G, Kwon, Y.D, Caruso, W, Kwong, P.D. | 登録日 | 2016-03-10 | 公開日 | 2016-04-20 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.2869 Å) | 主引用文献 | Optimization of the Solubility of HIV-1-Neutralizing Antibody 10E8 through Somatic Variation and Structure-Based Design. J.Virol., 90, 2016
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6AFR
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![BU of 6afr by Molmil](/molmil-images/mine/6afr) | Crystal Structure of the first bromodomain of human BRD4 in complex with 5-((4-fluoro-1H-imidazol-1-yl)methyl)quinolin-8-ol | 分子名称: | 5-[(4-fluoranylimidazol-1-yl)methyl]quinolin-8-ol, Bromodomain-containing protein 4 | 著者 | Xing, J, Zhang, R.K, Zheng, M.Y, Luo, C, Jiang, X.R. | 登録日 | 2018-08-08 | 公開日 | 2018-12-12 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.998 Å) | 主引用文献 | Rational design of 5-((1H-imidazol-1-yl)methyl)quinolin-8-ol derivatives as novel bromodomain-containing protein 4 inhibitors Eur J Med Chem, 163, 2018
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7EAX
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![BU of 7eax by Molmil](/molmil-images/mine/7eax) | Crystal complex of p53-V272M and antimony ion | 分子名称: | ANTIMONY (III) ION, Cellular tumor antigen p53, ZINC ION | 著者 | Lu, M, Tang, Y. | 登録日 | 2021-03-08 | 公開日 | 2022-02-16 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Repurposing antiparasitic antimonials to noncovalently rescue temperature-sensitive p53 mutations. Cell Rep, 39, 2022
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8GWO
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![BU of 8gwo by Molmil](/molmil-images/mine/8gwo) | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors | 分子名称: | Helicase, Non-structural protein 7, Non-structural protein 8, ... | 著者 | Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y. | 登録日 | 2022-09-17 | 公開日 | 2022-11-30 | 最終更新日 | 2024-01-24 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors. Cell, 185, 2022
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8GWG
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![BU of 8gwg by Molmil](/molmil-images/mine/8gwg) | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors | 分子名称: | GUANOSINE-5'-TRIPHOSPHATE, Helicase, Non-structural protein 7, ... | 著者 | Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y. | 登録日 | 2022-09-17 | 公開日 | 2022-12-14 | 最終更新日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (3.37 Å) | 主引用文献 | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors. Cell, 185, 2022
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8GWI
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![BU of 8gwi by Molmil](/molmil-images/mine/8gwi) | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors | 分子名称: | GUANOSINE-5'-TRIPHOSPHATE, Helicase, Non-structural protein 7, ... | 著者 | Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y. | 登録日 | 2022-09-17 | 公開日 | 2022-12-14 | 最終更新日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (3.18 Å) | 主引用文献 | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors. Cell, 185, 2022
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8GWN
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![BU of 8gwn by Molmil](/molmil-images/mine/8gwn) | A mechanism for SARS-CoV-2 RNA capping and its inhibitor of AT-527 | 分子名称: | Helicase, Non-structural protein 7, Non-structural protein 8, ... | 著者 | Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y. | 登録日 | 2022-09-17 | 公開日 | 2022-12-14 | 最終更新日 | 2023-10-25 | 実験手法 | ELECTRON MICROSCOPY (3.38 Å) | 主引用文献 | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors. Cell, 185, 2022
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8GWB
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![BU of 8gwb by Molmil](/molmil-images/mine/8gwb) | SARS-CoV-2 E-RTC complex with RNA-nsp9 | 分子名称: | Helicase, MANGANESE (II) ION, Non-structural protein 7, ... | 著者 | Yan, L.M, Rao, Z.H, Lou, Z.Y. | 登録日 | 2022-09-16 | 公開日 | 2022-12-07 | 最終更新日 | 2023-10-25 | 実験手法 | ELECTRON MICROSCOPY (2.75 Å) | 主引用文献 | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors. Cell, 185, 2022
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8GWE
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![BU of 8gwe by Molmil](/molmil-images/mine/8gwe) | SARS-CoV-2 E-RTC complex with RNA-nsp9 and GMPPNP | 分子名称: | Helicase nsp13, MAGNESIUM ION, Non-structural protein 8, ... | 著者 | Yan, L.M, Rao, Z.H, Lou, Z.Y. | 登録日 | 2022-09-16 | 公開日 | 2023-01-11 | 最終更新日 | 2023-10-25 | 実験手法 | ELECTRON MICROSCOPY (2.66 Å) | 主引用文献 | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors. Cell, 185, 2022
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8GWF
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![BU of 8gwf by Molmil](/molmil-images/mine/8gwf) | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors | 分子名称: | GUANOSINE-5'-TRIPHOSPHATE, Helicase, Non-structural protein 7, ... | 著者 | Yan, L.Y, Huang, Y.C, Rao, Z.H, Lou, Z.Y. | 登録日 | 2022-09-17 | 公開日 | 2023-01-11 | 最終更新日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (3.39 Å) | 主引用文献 | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors. Cell, 185, 2022
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