4PNT
| Crystal Structure of human Tankyrase 2 in complex with 1,5-IQD. | 分子名称: | 5-hydroxyisoquinolin-1(4H)-one, Tankyrase-2, ZINC ION | 著者 | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | 登録日 | 2014-05-25 | 公開日 | 2014-10-15 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2. Acta Crystallogr.,Sect.D, 70, 2014
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8FCI
| tRNA (N1G37) Methyltransferase (TrmD) of Mycobacterium avium complexed with S-Adenosyl homocysteine | 分子名称: | S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine-N(1)-)-methyltransferase | 著者 | Lavallee, T, Mehta, K, Young, A, Cortes, J, Isaacson, B, Brylewski, J, Schlegel, F, Doti, L, Battaile, K, Stojanoff, V, Perez, A, Bolen, R. | 登録日 | 2022-12-01 | 公開日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.752 Å) | 主引用文献 | tRNA (N1G37) Methyltransferase (TrmD) of Mycobacterium avium complexed with S-Adenosyl homocysteine To Be Published
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5VXK
| 2.55 A resolution structure of IpaD from Shigella flexneri in complex with single-domain antibody JMK-H2 | 分子名称: | Invasin IpaD, single-domain antibody JMK-H2 | 著者 | Barta, M.L, Lovell, S, Battaile, K.P, Picking, W.D, Picking, W.L. | 登録日 | 2017-05-23 | 公開日 | 2017-08-30 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | 2.55 A resolution structure of IpaD from Shigella flexneri in complex with single-domain antibody JMK-H2 To Be Published
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5VXM
| 2.05 A resolution structure of IpaD from Shigella flexneri in complex with single-domain antibody 20ipaD | 分子名称: | Invasin IpaD, Single-domain antibody 20ipaD | 著者 | Barta, M.L, Lovell, S, Battaile, K.P, Picking, W.D, Picking, W.L. | 登録日 | 2017-05-23 | 公開日 | 2017-08-30 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | 2.05 A resolution structure of IpaD from Shigella flexneri in complex with single-domain antibody 20ipaD To Be Published
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5W38
| 1.80A resolution structure of human IgG3 Fc (N392K) | 分子名称: | CITRATE ANION, Immunoglobulin heavy constant gamma 3, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Lovell, S, Mehzabeen, N, Battaile, K.P, Shah, I, Tolbert, T.J. | 登録日 | 2017-06-07 | 公開日 | 2017-10-18 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural characterization of the Man5 glycoform of human IgG3 Fc. Mol. Immunol., 92, 2017
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5VXL
| 2.80 A resolution structure of IpaD from Shigella flexneri in complex with single-domain antibody JPS-G3 | 分子名称: | Invasin IpaD, single-domain antibody JPS-G3 | 著者 | Barta, M.L, Lovell, S, Battaile, K.P, Picking, W.D, Picking, W.L. | 登録日 | 2017-05-23 | 公開日 | 2017-08-30 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | 2.80 A resolution structure of IpaD from Shigella flexneri in complex with single-domain antibody JPS-G3 To Be Published
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2HA8
| Methyltransferase Domain of Human TAR (HIV-1) RNA binding protein 1 | 分子名称: | S-ADENOSYL-L-HOMOCYSTEINE, TAR (HIV-1) RNA loop binding protein | 著者 | Min, J, Wu, H, Zeng, H, Loppnau, P, Battaile, K, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | 登録日 | 2006-06-12 | 公開日 | 2006-07-11 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | The Crystal Structure of Methyltransferase Domain of Human TAR (HIV-1) RNA binding protein 1 in complex with S-adenosyl-L-homocystein. To be Published
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8FCH
| Apo Structure of (N1G37) Methyltransferase from Mycobacterium avium | 分子名称: | tRNA (guanine-N(1)-)-methyltransferase | 著者 | Isaacson, B, Brylewski, J, Schlegel, F, Cortes, J, Lavallee, T, Mehta, K, Young, A, Doti, L, Battaile, K.P, Stojanoff, V, Perez, A, Bolen, R. | 登録日 | 2022-12-01 | 公開日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.956 Å) | 主引用文献 | Apo structure of (N1G37) Methyltransferase from Mycobacterium avium. To Be Published
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3GPH
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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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7T49
| Structure of SARS-CoV-2 3CL protease in complex with inhibitor 10c | 分子名称: | (1R,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}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, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2021-12-09 | 公開日 | 2021-12-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease. J.Med.Chem., 65, 2022
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7T4B
| Structure of SARS-CoV-2 3CL protease in complex with inhibitor 14c | 分子名称: | (1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... | 著者 | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2021-12-09 | 公開日 | 2021-12-22 | 最終更新日 | 2024-10-09 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease. J.Med.Chem., 65, 2022
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7T40
| Structure of MERS 3CL protease in complex with inhibitor 10c | 分子名称: | (1R,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}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, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2021-12-09 | 公開日 | 2021-12-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease. J.Med.Chem., 65, 2022
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7T42
| Structure of SARS-CoV-2 3CL protease in complex with inhibitor 2c | 分子名称: | (1R,2S)-1-hydroxy-2-{[N-({[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-[(N-{[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... | 著者 | Liu, L, Lovell, S, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2021-12-09 | 公開日 | 2021-12-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease. J.Med.Chem., 65, 2022
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7T4A
| Structure of SARS-CoV-2 3CL protease in complex with inhibitor 11c | 分子名称: | (1R,2S)-2-[(N-{[(7-cyano-7-azaspiro[3.5]nonan-2-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-[(N-{[(7-cyano-7-azaspiro[3.5]nonan-2-yl)oxy]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, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2021-12-09 | 公開日 | 2021-12-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease. J.Med.Chem., 65, 2022
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7T3Y
| Structure of MERS 3CL protease in complex with inhibitor 8c | 分子名称: | (1R,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}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, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2021-12-09 | 公開日 | 2021-12-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease. J.Med.Chem., 65, 2022
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7T3Z
| Structure of MERS 3CL protease in complex with inhibitor 9c | 分子名称: | (1R,2S)-2-{[N-({[(2r,4R)-7-acetyl-7-azaspiro[3.5]non-5-en-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[7-(phenylacetyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, 3C-like proteinase | 著者 | Lovell, S, Liu, L, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2021-12-09 | 公開日 | 2021-12-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease. J.Med.Chem., 65, 2022
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7T46
| Structure of SARS-CoV-2 3CL protease in complex with inhibitor 8c | 分子名称: | (1R,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}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, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2021-12-09 | 公開日 | 2021-12-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease. J.Med.Chem., 65, 2022
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7T45
| Structure of SARS-CoV-2 3CL protease in complex with inhibitor 7c | 分子名称: | (1S,2S)-2-{[N-({[7-(tert-butoxycarbonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, TETRAETHYLENE GLYCOL | 著者 | Lovell, S, Kashipathy, M.M, Battaile, K.P, Kankanamalage, A.C.G, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2021-12-09 | 公開日 | 2021-12-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease. J.Med.Chem., 65, 2022
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7T48
| Structure of SARS-CoV-2 3CL protease in complex with inhibitor 9c | 分子名称: | (1R,2S)-2-{[N-({[(2r,4R)-7-acetyl-7-azaspiro[3.5]non-5-en-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[7-(phenylacetyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, 3C-like proteinase, ... | 著者 | Lovell, S, Liu, L, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2021-12-09 | 公開日 | 2021-12-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease. J.Med.Chem., 65, 2022
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7T41
| Structure of MERS 3CL protease in complex with inhibitor 14c | 分子名称: | (1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid, 3C-like proteinase | 著者 | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2021-12-09 | 公開日 | 2021-12-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease. J.Med.Chem., 65, 2022
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7T43
| Structure of SARS-CoV-2 3CL protease in complex with inhibitor 3c | 分子名称: | (1R,2S)-1-hydroxy-2-[(N-{[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-[(N-{[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... | 著者 | Liu, L, Lovell, S, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2021-12-09 | 公開日 | 2021-12-22 | 最終更新日 | 2024-10-09 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease. J.Med.Chem., 65, 2022
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7T44
| Structure of SARS-CoV-2 3CL protease in complex with inhibitor 4c | 分子名称: | (1R,2S)-2-[(N-{[(2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-{[N-({[2-(methanesulfonyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... | 著者 | Liu, L, Lovell, S, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2021-12-09 | 公開日 | 2021-12-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease. J.Med.Chem., 65, 2022
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