5LYY
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![BU of 5lyy by Molmil](/molmil-images/mine/5lyy) | Fragment-based inhibitors of Lipoprotein associated Phospholipase A2 | 分子名称: | 3-[2-(4-fluoranylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione, Platelet-activating factor acetylhydrolase | 著者 | Woolford, A, Day, P. | 登録日 | 2016-09-29 | 公開日 | 2016-12-21 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2). J. Med. Chem., 59, 2016
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5LZ9
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![BU of 5lz9 by Molmil](/molmil-images/mine/5lz9) | Fragment-based inhibitors of Lipoprotein associated Phospholipase A2 | 分子名称: | 2-fluoranyl-5-[2-[(4~{S})-4-[4-methyl-1,1-bis(oxidanylidene)thian-4-yl]-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase, ... | 著者 | Woolford, A, Day, P. | 登録日 | 2016-09-29 | 公開日 | 2016-12-21 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2). J. Med. Chem., 59, 2016
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5LZ5
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![BU of 5lz5 by Molmil](/molmil-images/mine/5lz5) | Fragment-based inhibitors of Lipoprotein associated Phospholipase A2 | 分子名称: | 2-fluoranyl-5-[2-[(4~{S})-4-methyl-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase | 著者 | Woolford, A.J.A, Day, P.J. | 登録日 | 2016-09-29 | 公開日 | 2016-12-21 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2). J. Med. Chem., 59, 2016
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7YJ3
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![BU of 7yj3 by Molmil](/molmil-images/mine/7yj3) | Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with human ACE2 (local refinement) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ... | 著者 | Zhao, Z.N, Xie, Y.F, Qi, J.X, Gao, G.F. | 登録日 | 2022-07-19 | 公開日 | 2023-07-19 | 最終更新日 | 2023-08-02 | 実験手法 | ELECTRON MICROSCOPY (3.14 Å) | 主引用文献 | Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants. Nat Commun, 14, 2023
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6L1T
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![BU of 6l1t by Molmil](/molmil-images/mine/6l1t) | Cryo-EM structure of phosphorylated Tyr39 a-synuclein amyloid fibril | 分子名称: | Alpha-synuclein | 著者 | Liu, C, Li, Y.M, Zhao, K, Lim, Y.J, Liu, Z.Y. | 登録日 | 2019-09-30 | 公開日 | 2020-08-12 | 最終更新日 | 2020-09-02 | 実験手法 | ELECTRON MICROSCOPY (3.22 Å) | 主引用文献 | Parkinson's disease-related phosphorylation at Tyr39 rearranges alpha-synuclein amyloid fibril structure revealed by cryo-EM. Proc.Natl.Acad.Sci.USA, 117, 2020
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6L1U
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![BU of 6l1u by Molmil](/molmil-images/mine/6l1u) | Cryo-EM structure of phosphorylated Tyr39 alpha-synuclein amyloid fibril | 分子名称: | Alpha-synuclein | 著者 | Liu, C, Li, Y.M, Zhao, K, Lim, Y.J, Liu, Z.Y. | 登録日 | 2019-09-30 | 公開日 | 2020-08-12 | 最終更新日 | 2020-09-02 | 実験手法 | ELECTRON MICROSCOPY (3.37 Å) | 主引用文献 | Parkinson's disease-related phosphorylation at Tyr39 rearranges alpha-synuclein amyloid fibril structure revealed by cryo-EM. Proc.Natl.Acad.Sci.USA, 117, 2020
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7VQ1
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![BU of 7vq1 by Molmil](/molmil-images/mine/7vq1) | Structure of Apo-hsTRPM2 channel | 分子名称: | Transient receptor potential cation channel subfamily M member 2 | 著者 | Yu, X.F, Xie, Y, Zhang, X.K, Ma, C, Guo, J.T, Yang, F, Yang, W. | 登録日 | 2021-10-18 | 公開日 | 2021-12-22 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (3.76 Å) | 主引用文献 | Structural and functional basis of the selectivity filter as a gate in human TRPM2 channel. Cell Rep, 37, 2021
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7VQ2
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![BU of 7vq2 by Molmil](/molmil-images/mine/7vq2) | Structure of Apo-hsTRPM2 channel TM domain | 分子名称: | Transient receptor potential cation channel subfamily M member 2 | 著者 | Yu, X.F, Xie, Y, Zhang, X.K, Ma, C, Guo, J.T, Yang, F, Yang, W. | 登録日 | 2021-10-18 | 公開日 | 2021-12-22 | 実験手法 | ELECTRON MICROSCOPY (3.68 Å) | 主引用文献 | Structural and functional basis of the selectivity filter as a gate in human TRPM2 channel. Cell Rep, 37, 2021
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6EFJ
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![BU of 6efj by Molmil](/molmil-images/mine/6efj) | Crystal structure of NDM-1 with compound 9 | 分子名称: | (2R)-2-phenyl-2-(phenylamino)-N-(1H-tetrazol-5-yl)acetamide, Metallo-beta-lactamase type 2, ZINC ION | 著者 | Akhtar, A, Chen, Y. | 登録日 | 2018-08-16 | 公開日 | 2019-04-17 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery. Acs Infect Dis., 5, 2019
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8HWT
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![BU of 8hwt by Molmil](/molmil-images/mine/8hwt) | |
8HWS
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![BU of 8hws by Molmil](/molmil-images/mine/8hws) | The complex structure of Omicron BA.4 RBD with BD604, S309, and S304 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BD-604 Fab Heavy chain, BD-604 Fab Light chain, ... | 著者 | He, Q.W, Xu, Z.P, Xie, Y.F. | 登録日 | 2023-01-02 | 公開日 | 2023-12-06 | 実験手法 | ELECTRON MICROSCOPY (2.36 Å) | 主引用文献 | An updated atlas of antibody evasion by SARS-CoV-2 Omicron sub-variants including BQ.1.1 and XBB. Cell Rep Med, 4, 2023
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7XED
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![BU of 7xed by Molmil](/molmil-images/mine/7xed) | |
6G2X
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![BU of 6g2x by Molmil](/molmil-images/mine/6g2x) | Crystal structure of the p97 D2 domain in a helical split-washer conformation | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, ... | 著者 | Stach, L, Morgan, R.M.L, Freemont, P.S. | 登録日 | 2018-03-23 | 公開日 | 2019-04-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.078 Å) | 主引用文献 | Crystal structure of the catalytic D2 domain of the AAA+ ATPase p97 reveals a putative helical split-washer-type mechanism for substrate unfolding. Febs Lett., 594, 2020
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6G2W
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![BU of 6g2w by Molmil](/molmil-images/mine/6g2w) | Crystal structure of the p97 D2 domain in a helical split-washer conformation | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, ... | 著者 | Stach, L, Morgan, R.M.L, Freemont, P.S. | 登録日 | 2018-03-23 | 公開日 | 2019-04-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.678 Å) | 主引用文献 | Crystal structure of the catalytic D2 domain of the AAA+ ATPase p97 reveals a putative helical split-washer-type mechanism for substrate unfolding. Febs Lett., 594, 2020
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4WT2
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![BU of 4wt2 by Molmil](/molmil-images/mine/4wt2) | Co-crystal Structure of MDM2 in Complex with AM-7209 | 分子名称: | 4-({[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetyl}amino)-2-methoxybenzoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | 著者 | Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M. | 登録日 | 2014-10-30 | 公開日 | 2014-12-03 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Discovery of AM-7209, a Potent and Selective 4-Amidobenzoic Acid Inhibitor of the MDM2-p53 Interaction. J.Med.Chem., 57, 2014
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7V27
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![BU of 7v27 by Molmil](/molmil-images/mine/7v27) | RBD/XG005 local refinement | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, XG005-VH, ... | 著者 | Zhan, W.Q, Zhang, X, Sun, L, Chen, Z.G. | 登録日 | 2021-08-07 | 公開日 | 2022-08-10 | 実験手法 | ELECTRON MICROSCOPY (4.18 Å) | 主引用文献 | RBD/XG005 local refinement To Be Published
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6G30
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![BU of 6g30 by Molmil](/molmil-images/mine/6g30) | Crystal structure of the p97 D2 domain in a helical split-washer conformation | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, ... | 著者 | Stach, L, Morgan, R.M.L, Freemont, P.S. | 登録日 | 2018-03-23 | 公開日 | 2019-04-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.418 Å) | 主引用文献 | Crystal structure of the catalytic D2 domain of the AAA+ ATPase p97 reveals a putative helical split-washer-type mechanism for substrate unfolding. Febs Lett., 594, 2020
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6G2V
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![BU of 6g2v by Molmil](/molmil-images/mine/6g2v) | Crystal structure of the p97 D2 domain in a helical split-washer conformation | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, ... | 著者 | Stach, L, Morgan, R.M.L, Freemont, P.S. | 登録日 | 2018-03-23 | 公開日 | 2019-04-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.903 Å) | 主引用文献 | Crystal structure of the catalytic D2 domain of the AAA+ ATPase p97 reveals a putative helical split-washer-type mechanism for substrate unfolding. Febs Lett., 594, 2020
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6XBI
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![BU of 6xbi by Molmil](/molmil-images/mine/6xbi) | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW248 | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Sacco, M, Ma, C, Wang, J, Chen, Y. | 登録日 | 2020-06-06 | 公開日 | 2020-06-17 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L. Sci Adv, 6, 2020
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6G2Y
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![BU of 6g2y by Molmil](/molmil-images/mine/6g2y) | Crystal structure of the p97 D2 domain in a helical split-washer conformation | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, ... | 著者 | Stach, L, Morgan, R.M.L, Freemont, P.S. | 登録日 | 2018-03-23 | 公開日 | 2019-04-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.153 Å) | 主引用文献 | Crystal structure of the catalytic D2 domain of the AAA+ ATPase p97 reveals a putative helical split-washer-type mechanism for substrate unfolding. Febs Lett., 594, 2020
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6XFN
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![BU of 6xfn by Molmil](/molmil-images/mine/6xfn) | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with UAW243 | 分子名称: | 3C-like proteinase, GLYCEROL, UAW243 | 著者 | Sacco, M, Ma, C, Wang, J, Chen, Y. | 登録日 | 2020-06-15 | 公開日 | 2020-06-24 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L. Sci Adv, 6, 2020
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6XBH
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![BU of 6xbh by Molmil](/molmil-images/mine/6xbh) | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW247 | 分子名称: | 3C-like proteinase, GLYCEROL, SODIUM ION, ... | 著者 | Sacco, M, Ma, C, Wang, J, Chen, Y. | 登録日 | 2020-06-06 | 公開日 | 2020-06-17 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L. Sci Adv, 6, 2020
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6XBG
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![BU of 6xbg by Molmil](/molmil-images/mine/6xbg) | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW246 | 分子名称: | 3C-like proteinase, GLYCEROL, SODIUM ION, ... | 著者 | Sacco, M, Ma, C, Wang, J, Chen, Y. | 登録日 | 2020-06-05 | 公開日 | 2020-06-17 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L. Sci Adv, 6, 2020
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6G2Z
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![BU of 6g2z by Molmil](/molmil-images/mine/6g2z) | Crystal structure of the p97 D2 domain in a helical split-washer conformation | 分子名称: | (3-phenyl-1,2-oxazol-5-yl)methylazanium, (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Stach, L, Morgan, R.M.L, Freemont, P.S. | 登録日 | 2018-03-23 | 公開日 | 2019-04-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.923 Å) | 主引用文献 | Crystal structure of the catalytic D2 domain of the AAA+ ATPase p97 reveals a putative helical split-washer-type mechanism for substrate unfolding. Febs Lett., 594, 2020
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6AKK
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![BU of 6akk by Molmil](/molmil-images/mine/6akk) | Crystal structure of the second Coiled-coil domain of SIKE1 | 分子名称: | GLYCEROL, Suppressor of IKBKE 1 | 著者 | Zhou, L, Chen, M, Zhou, Z.C. | 登録日 | 2018-09-02 | 公開日 | 2019-01-16 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Architecture, substructures, and dynamic assembly of STRIPAK complexes in Hippo signaling. Cell Discov, 5, 2019
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