8E69
| Crystal structure of SARS-CoV-2 3CL protease in complex with a m-fluorodimethyl oxybenzene inhibitor | 分子名称: | (1R,2S)-2-[(N-{[2-(3-fluorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase | 著者 | Lovell, S, Liu, L, Battaile, K.P, Miller, M.J, Groutas, W.C. | 登録日 | 2022-08-22 | 公開日 | 2022-09-21 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV). Eur.J.Med.Chem., 254, 2023
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8E6A
| Crystal structure of SARS-CoV-2 3CL protease in complex with a p-chlorophenylethanol based inhibitor | 分子名称: | (1R,2S)-2-[(N-{[(2S)-2-(3-chlorophenyl)-2-hydroxypropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propane-1-sulfonic acid, (1S,2S)-2-[(N-{[(2R)-2-(3-chlorophenyl)-2-hydroxypropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... | 著者 | Lovell, S, Liu, L, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | 登録日 | 2022-08-22 | 公開日 | 2022-09-21 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV). Eur.J.Med.Chem., 254, 2023
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8E5Z
| Crystal structure of SARS-CoV-2 3CL protease in complex with a dimethyl sulfonyl benzene inhibitor | 分子名称: | (1R,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase | 著者 | Lovell, S, Liu, L, Battaile, K.P, Miller, M.J, Groutas, W.C. | 登録日 | 2022-08-22 | 公開日 | 2022-09-21 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV). Eur.J.Med.Chem., 254, 2023
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8E64
| Crystal structure of SARS-CoV-2 3CL protease in complex with a benzimidazole dimethyl sulfane inhibitor | 分子名称: | (1S,2S)-2-{[N-({2-[(1H-benzimidazol-2-yl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1~{R},2~{S})-2-[[(2~{S})-2-[[2-(1~{H}-benzimidazol-2-ylsulfanyl)-2-methyl-propoxy]carbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid;molecular oxygen, 3C-like proteinase | 著者 | Lovell, S, Liu, L, Battaile, K.P, Madden, T.K, Groutas, W.C. | 登録日 | 2022-08-22 | 公開日 | 2022-09-14 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV). Eur.J.Med.Chem., 254, 2023
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8E65
| Crystal structure of SARS-CoV-2 3CL protease in complex with a p-chlorodimethyl oxybenzene inhibitor | 分子名称: | (1S,2S)-2-[(N-{[2-(4-chlorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase | 著者 | Lovell, S, Liu, L, Battaile, K.P, Miller, M.J, Groutas, W.C. | 登録日 | 2022-08-22 | 公開日 | 2022-09-14 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV). Eur.J.Med.Chem., 254, 2023
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8E68
| Crystal structure of SARS-CoV-2 3CL protease in complex with a p-fluorodimethyl oxybenzene inhibitor | 分子名称: | (1S,2S)-2-[(N-{[2-(4-fluorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, N~2~-{[2-(4-fluorophenoxy)-2-methylpropoxy]carbonyl}-N-{(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-L-leucinamide, ... | 著者 | Lovell, S, Liu, L, Battaile, K.P, Miller, M.J, Groutas, W.C. | 登録日 | 2022-08-22 | 公開日 | 2022-09-14 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV). Eur.J.Med.Chem., 254, 2023
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8E63
| Crystal structure of SARS-CoV-2 3CL protease in complex with a phenyl sulfane inhibitor | 分子名称: | (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[2-(phenylsulfanyl)ethoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid, 2-phenylsulfanylethyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, 3C-like proteinase, ... | 著者 | Lovell, S, Liu, L, Battaile, K.P, Madden, T.K, Groutas, W.C. | 登録日 | 2022-08-22 | 公開日 | 2022-09-28 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV). Eur.J.Med.Chem., 254, 2023
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4QS7
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4QS9
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4QS8
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4FLN
| Crystal structure of plant protease Deg2 | 分子名称: | Protease Do-like 2, chloroplastic, Unknown peptide | 著者 | Gong, W, Liu, L, Sun, R, Gao, F. | 登録日 | 2012-06-15 | 公開日 | 2012-09-19 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Crystal structure of Arabidopsis deg2 protein reveals an internal PDZ ligand locking the hexameric resting state. J.Biol.Chem., 287, 2012
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4RIY
| Crystal structure of an EGFR/HER3 kinase domain heterodimer containing the cancer-associated HER3-E909G mutation | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Epidermal growth factor receptor, MAGNESIUM ION, ... | 著者 | Littlefield, P, Liu, L, Jura, N. | 登録日 | 2014-10-07 | 公開日 | 2014-12-10 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.981 Å) | 主引用文献 | Structural analysis of the EGFR/HER3 heterodimer reveals the molecular basis for activating HER3 mutations. Sci.Signal., 7, 2014
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4RIX
| Crystal structure of an EGFR/HER3 kinase domain heterodimer containing the cancer-associated HER3-Q790R mutation | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Epidermal growth factor receptor, MAGNESIUM ION, ... | 著者 | Littlefield, P, Liu, L, Jura, N. | 登録日 | 2014-10-07 | 公開日 | 2014-12-10 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Structural analysis of the EGFR/HER3 heterodimer reveals the molecular basis for activating HER3 mutations. Sci.Signal., 7, 2014
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3F3H
| Crystal structure and anti-tumor activity of LZ-8 from the fungus Ganoderma lucidium | 分子名称: | Immunomodulatory protein Ling Zhi-8 | 著者 | Zhou, C.Z, Huang, L, He, Y.X, Bao, R, Sun, F, Liang, C, Liu, L. | 登録日 | 2008-10-30 | 公開日 | 2009-09-15 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal structure of LZ-8 from the medicinal fungus Ganoderma lucidium Proteins, 75, 2009
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1T8P
| Crystal structure of Human erythrocyte 2,3-bisphosphoglycerate mutase | 分子名称: | Bisphosphoglycerate mutase | 著者 | Wang, Y, Wei, Z, Bian, Q, Cheng, Z, Wan, M, Liu, L, Gong, W. | 登録日 | 2004-05-13 | 公開日 | 2004-08-10 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal structure of human bisphosphoglycerate mutase J.Biol.Chem., 279, 2004
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4GMB
| Crystal structure of human WD repeat domain 5 with compound MM-402 | 分子名称: | MM-402, WD repeat-containing protein 5 | 著者 | Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Cao, F, Liu, L, Lei, M, Dou, Y, Wang, S. | 登録日 | 2012-08-15 | 公開日 | 2014-02-19 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.781 Å) | 主引用文献 | Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction. J.Med.Chem., 60, 2017
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8AZT
| Type II amyloid-beta 42 filaments from high-spin supernatants of aqueous extracts from Alzheimer's disease brains | ABeta42 | 分子名称: | Amyloid-beta precursor protein | 著者 | Yang, Y, Stern, M.A, Meunier, L.A, Liu, W, Cai, Y.Q, Ericsson, M, Liu, L, Selkoe, J.D, Goedert, M, Scheres, H.W.S. | 登録日 | 2022-09-06 | 公開日 | 2022-11-02 | 最終更新日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Abundant A beta fibrils in ultracentrifugal supernatants of aqueous extracts from Alzheimer's disease brains. Neuron, 111, 2023
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3ZJV
| Ternary complex of E .coli leucyl-tRNA synthetase, tRNA(Leu) and the benzoxaborole AN3213 in the editing conformation | 分子名称: | LEUCINE--TRNA LIGASE, TRNALEU5 UAA ISOACCEPTOR | 著者 | Cusack, S, Palencia, A, Crepin, T, Hernandez, V, Akama, T, Baker, S.J, Bu, W, Feng, L, Freund, Y.R, Liu, L, Meewan, M, Mohan, M, Mao, W, Rock, F.L, Sexton, H, Sheoran, A, Zhang, Y, Zhang, Y, Zhou, Y, Nieman, J.A, Anugula, M.R, Keramane, E.M, Savariraj, K, Reddy, D.S, Sharma, R, Subedi, R, Singh, R, OLeary, A, Simon, N.L, DeMarsh, P.L, Mushtaq, S, Warner, M, Livermore, D.M, Alley, M.R.K, Plattner, J.J. | 登録日 | 2013-01-18 | 公開日 | 2013-04-17 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Discovery of a Novel Class of Boron-Based Antibacterials with Activity Against Gram-Negative Bacteria. Antimicrob.Agents Chemother., 57, 2013
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8KAJ
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8KAI
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8KAM
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8KAL
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8KAK
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8KAH
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8KAG
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