6C99
| Crystal structure of FcRn bound to UCB-303 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, CITRIC ACID, ... | 著者 | Fox III, D, Abendroth, J, Porter, J, Deboves, H. | 登録日 | 2018-01-25 | 公開日 | 2018-05-30 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Insight into small molecule binding to the neonatal Fc receptor by X-ray crystallography and 100 kHz magic-angle-spinning NMR. PLoS Biol., 16, 2018
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8E15
| A computationally stabilized hMPV F protein | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, F1 protein with Fibritin peptide, F2 protein, ... | 著者 | Huang, J, Gonzalez, K, Mousa, J, Strauch, E. | 登録日 | 2022-08-09 | 公開日 | 2023-04-12 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | A general computational design strategy for stabilizing viral class I fusion proteins. Nat Commun, 15, 2024
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8WHS
| Spike Trimer of BA.2.86 in complex with one hACE2 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Processed angiotensin-converting enzyme 2, ... | 著者 | Yue, C, Liu, P. | 登録日 | 2023-09-23 | 公開日 | 2024-07-03 | 最終更新日 | 2024-08-21 | 実験手法 | ELECTRON MICROSCOPY (3.33 Å) | 主引用文献 | Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity. Natl Sci Rev, 11, 2024
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6W2U
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6CRJ
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6DBK
| Tyk2 with compound 8 | 分子名称: | 4-({4-[(1S,4S)-5-(cyanoacetyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-2-yl}amino)-N-ethylbenzamide, Non-receptor tyrosine-protein kinase TYK2 | 著者 | Vajdos, F.F. | 登録日 | 2018-05-03 | 公開日 | 2018-08-29 | 最終更新日 | 2018-11-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Dual Inhibition of TYK2 and JAK1 for the Treatment of Autoimmune Diseases: Discovery of (( S)-2,2-Difluorocyclopropyl)((1 R,5 S)-3-(2-((1-methyl-1 H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PF-06700841). J. Med. Chem., 61, 2018
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6DBM
| Tyk2 with compound 23 | 分子名称: | Non-receptor tyrosine-protein kinase TYK2, [(1S)-2,2-difluorocyclopropyl][(1R,5S)-3-{2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone | 著者 | Vajdos, F.F. | 登録日 | 2018-05-03 | 公開日 | 2018-08-29 | 最終更新日 | 2018-11-07 | 実験手法 | X-RAY DIFFRACTION (2.368 Å) | 主引用文献 | Dual Inhibition of TYK2 and JAK1 for the Treatment of Autoimmune Diseases: Discovery of (( S)-2,2-Difluorocyclopropyl)((1 R,5 S)-3-(2-((1-methyl-1 H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PF-06700841). J. Med. Chem., 61, 2018
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6DBN
| Jak1 with compound 23 | 分子名称: | Tyrosine-protein kinase JAK1, [(1S)-2,2-difluorocyclopropyl][(1R,5S)-3-{2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone | 著者 | Vajdos, F.F. | 登録日 | 2018-05-03 | 公開日 | 2018-08-29 | 最終更新日 | 2018-11-07 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Dual Inhibition of TYK2 and JAK1 for the Treatment of Autoimmune Diseases: Discovery of (( S)-2,2-Difluorocyclopropyl)((1 R,5 S)-3-(2-((1-methyl-1 H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PF-06700841). J. Med. Chem., 61, 2018
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7SKA
| Sub-tomogram averaged structure of HIV-1 Envelope protein in native membrane | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(2-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Mangala Prasad, V, Lee, K.K. | 登録日 | 2021-10-20 | 公開日 | 2022-03-09 | 実験手法 | ELECTRON MICROSCOPY (9.1 Å) | 主引用文献 | Cryo-ET of Env on intact HIV virions reveals structural variation and positioning on the Gag lattice. Cell, 185, 2022
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7TE0
| Structure of the SARS-CoV-2 main protease in complex with inhibitor PF-07321332 | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | 著者 | Yang, K.S, Liu, W.R. | 登録日 | 2022-01-03 | 公開日 | 2022-01-12 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Evolutionary and Structural Insights about Potential SARS-CoV-2 Evasion of Nirmatrelvir. J.Med.Chem., 65, 2022
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7TQ7
| Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 13c | 分子名称: | N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucinamide, Orf1a protein, TETRAETHYLENE GLYCOL | 著者 | Lovell, S, Liu, L, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2022-01-26 | 公開日 | 2022-02-09 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
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7TQ6
| Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 13d | 分子名称: | (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, 3C-like proteinase, ... | 著者 | Lovell, S, Liu, L, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2022-01-26 | 公開日 | 2022-02-09 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
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7TQ5
| Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 10d | 分子名称: | (1R,2S)-1-hydroxy-2-{[N-({[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-{[N-({[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... | 著者 | Lovell, S, Liu, L, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2022-01-26 | 公開日 | 2022-02-09 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
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7TO4
| Structural and functional impact by SARS-CoV-2 Omicron spike mutations | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B. | 登録日 | 2022-01-22 | 公開日 | 2022-02-16 | 最終更新日 | 2022-05-11 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Structural and functional impact by SARS-CoV-2 Omicron spike mutations. Cell Rep, 39, 2022
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7TNW
| Structural and functional impact by SARS-CoV-2 Omicron spike mutations | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B. | 登録日 | 2022-01-21 | 公開日 | 2022-02-16 | 最終更新日 | 2022-05-11 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Structural and functional impact by SARS-CoV-2 Omicron spike mutations. Cell Rep, 39, 2022
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7TQ8
| Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 14d | 分子名称: | (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, Orf1a protein, ... | 著者 | Liu, L, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2022-01-26 | 公開日 | 2022-03-02 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
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7TGY
| Prototypic SARS-CoV-2 G614 spike (closed form) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | 著者 | Ye, G, Liu, B, Li, F. | 登録日 | 2022-01-09 | 公開日 | 2022-03-09 | 最終更新日 | 2022-03-16 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Cryo-EM structure of a SARS-CoV-2 omicron spike protein ectodomain. Nat Commun, 13, 2022
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7TGW
| Omicron spike at 3.0 A (open form) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | 著者 | Ye, G, Liu, B, Li, F. | 登録日 | 2022-01-09 | 公開日 | 2022-03-09 | 最終更新日 | 2022-03-16 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Cryo-EM structure of a SARS-CoV-2 omicron spike protein ectodomain. Nat Commun, 13, 2022
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7TGX
| Prototypic SARS-CoV-2 G614 spike (open form) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, alpha-D-mannopyranose, ... | 著者 | Ye, G, Liu, B, Li, F. | 登録日 | 2022-01-09 | 公開日 | 2022-03-09 | 最終更新日 | 2022-03-16 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Cryo-EM structure of a SARS-CoV-2 omicron spike protein ectodomain. Nat Commun, 13, 2022
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7TQ4
| Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 6c | 分子名称: | 3C-like proteinase, N~2~-({[(1R,2R)-2-(3-chlorophenyl)cyclopropyl]methoxy}carbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | 著者 | Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2022-01-26 | 公開日 | 2022-06-22 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
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7TQ2
| Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 1c | 分子名称: | 3C-like proteinase, N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[(1R,2R)-2-phenylcyclopropyl]methoxy}carbonyl)-L-leucinamide | 著者 | Lovell, S, Kashipathy, M.M, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2022-01-26 | 公開日 | 2022-06-22 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
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7TQ3
| Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 5c | 分子名称: | 3C-like proteinase, N~2~-({[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methoxy}carbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | 著者 | Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2022-01-26 | 公開日 | 2022-06-22 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
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7TUD
| Crystal structure of HLA-B*44:05 (T73C) with 6mer EEFGRC and dipeptide GL | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, EEFGRC peptide, ... | 著者 | Jiang, J, Natarajan, K, Kim, E, Boyd, L.F, Margulies, D.H. | 登録日 | 2022-02-02 | 公開日 | 2022-09-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Structural mechanism of tapasin-mediated MHC-I peptide loading in antigen presentation. Nat Commun, 13, 2022
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7TUE
| Crystal structure of Tapasin in complex with HLA-B*44:05 (T73C) | 分子名称: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B alpha chain, ... | 著者 | Jiang, J, Natarajan, K, Kim, E, Boyd, L.F, Margulies, D.H. | 登録日 | 2022-02-02 | 公開日 | 2022-09-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Structural mechanism of tapasin-mediated MHC-I peptide loading in antigen presentation. Nat Commun, 13, 2022
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7TUC
| Crystal structure of HLA-B*44:05 (T73C) with 9mer EEFGRAFSF | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | 著者 | Jiang, J, Natarajan, K, Kim, E, Boyd, L.F, Margulies, D.H. | 登録日 | 2022-02-02 | 公開日 | 2022-09-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Structural mechanism of tapasin-mediated MHC-I peptide loading in antigen presentation. Nat Commun, 13, 2022
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