4IA0
 
 | | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | | 分子名称: | 5-bromo-2-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-octylpyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | | 著者 | Ren, J, Chen, T, Xu, Y. | | 登録日 | 2012-12-05 | | 公開日 | 2014-01-01 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | Exploration of the 5-bromopyrimidin-4(3H)-ones as potent inhibitors of PDE5.
Bioorg.Med.Chem.Lett., 23, 2013
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4I9Z
 | | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | | 分子名称: | 5-bromo-2-{5-[(4-methylpiperazin-1-yl)acetyl]-2-propoxyphenyl}-6-(propan-2-yl)pyrimidin-4(3H)-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | | 著者 | Ren, J, Chen, T, Xu, Y. | | 登録日 | 2012-12-05 | | 公開日 | 2014-01-01 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Exploration of the 5-bromopyrimidin-4(3H)-ones as potent inhibitors of PDE5.
Bioorg.Med.Chem.Lett., 23, 2013
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2BYG
 | | 2nd PDZ Domain of Discs Large Homologue 2 | | 分子名称: | CHANNEL ASSOCIATED PROTEIN OF SYNAPSE-110 | | 著者 | Elkins, J.M, Schoch, G.A, Smee, C.E.A, Berridge, G, Salah, E, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, Doyle, D.A, Structural Genomics Consortium (SGC) | | 登録日 | 2005-08-01 | | 公開日 | 2005-08-04 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structure of Pick1 and Other Pdz Domains Obtained with the Help of Self-Binding C-Terminal Extensions.
Protein Sci., 16, 2007
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6LU7
 | | The crystal structure of COVID-19 main protease in complex with an inhibitor N3 | | 分子名称: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | | 著者 | Liu, X, Zhang, B, Jin, Z, Yang, H, Rao, Z. | | 登録日 | 2020-01-26 | | 公開日 | 2020-02-05 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors.
Nature, 582, 2020
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5WYM
 | | Crystal structure of an anti-connexin26 scFv | | 分子名称: | anti-connexin26 scFv,Ig heavy chain,Linker,anti-connexin26 scFv,Ig light chain | | 著者 | Li, S, Xu, L. | | 登録日 | 2017-01-13 | | 公開日 | 2018-01-24 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Design and Characterization of a Human Monoclonal Antibody that Modulates Mutant Connexin 26 Hemichannels Implicated in Deafness and Skin Disorders
Front Mol Neurosci, 10, 2017
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7FDK
 | | SARS-COV-2 Spike RBDMACSp36 binding to mACE2 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1 | | 著者 | Wang, X, Cao, L. | | 登録日 | 2021-07-16 | | 公開日 | 2021-08-25 | | 最終更新日 | 2022-03-23 | | 実験手法 | ELECTRON MICROSCOPY (3.69 Å) | | 主引用文献 | Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
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7FDH
 | | SARS-COV-2 Spike RBDMACSp25 binding to hACE2 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1 | | 著者 | Wang, X, Cao, L. | | 登録日 | 2021-07-16 | | 公開日 | 2021-08-25 | | 最終更新日 | 2022-03-23 | | 実験手法 | ELECTRON MICROSCOPY (3.72 Å) | | 主引用文献 | Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
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7FDI
 | | SARS-COV-2 Spike RBDMACSp36 binding to hACE2 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1 | | 著者 | Wang, X, Cao, L. | | 登録日 | 2021-07-16 | | 公開日 | 2021-08-25 | | 最終更新日 | 2022-03-23 | | 実験手法 | ELECTRON MICROSCOPY (3.12 Å) | | 主引用文献 | Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
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7FDG
 | | SARS-COV-2 Spike RBDMACSp6 binding to hACE2 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1 | | 著者 | Wang, X, Cao, L. | | 登録日 | 2021-07-16 | | 公開日 | 2021-08-25 | | 最終更新日 | 2022-03-23 | | 実験手法 | ELECTRON MICROSCOPY (3.69 Å) | | 主引用文献 | Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
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2ZGJ
 | | Crystal Structure of D86N-GzmM Complexed with Its Optimal Synthesized Substrate | | 分子名称: | Granzyme M, SSGKVPLS, SULFATE ION | | 著者 | Wu, L.F, Wang, L, Hua, G.Q, Liu, K, Zhai, Y.J, Sun, F, Fan, Z.S. | | 登録日 | 2008-01-22 | | 公開日 | 2009-01-27 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural basis for proteolytic specificity of the human apoptosis-inducing granzyme M
J.Immunol., 183, 2009
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2ZGH
 | | Crystal Structure of active granzyme M bound to its product | | 分子名称: | Granzyme M, SSGKVPL, SULFATE ION | | 著者 | Wu, L.F, Wang, L, Hua, G.Q, Liu, K, Zhai, Y.J, Sun, F, Fan, Z.S. | | 登録日 | 2008-01-22 | | 公開日 | 2009-01-27 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | Structural basis for proteolytic specificity of the human apoptosis-inducing granzyme M
J.Immunol., 183, 2009
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6H86
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2ZGC
 | | Crystal Structure of Active Human Granzyme M | | 分子名称: | Granzyme M, SULFATE ION | | 著者 | Wu, L.F, Wang, L, Hua, G.Q, Liu, K, Zhai, Y.J, Sun, F, Fan, Z.S. | | 登録日 | 2008-01-21 | | 公開日 | 2009-01-27 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Structural basis for proteolytic specificity of the human apoptosis-inducing granzyme M
J.Immunol., 183, 2009
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3BX5
 | | P38 alpha map kinase complexed with BMS-640994 | | 分子名称: | Mitogen-activated protein kinase 14, N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-{[(1R)-1-methylpropyl]amino}-1,3-thiazole-5-carboxamide | | 著者 | Sack, J.S. | | 登録日 | 2008-01-11 | | 公開日 | 2008-04-15 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | The discovery of (R)-2-(sec-butylamino)-N-(2-methyl-5-(methylcarbamoyl)phenyl) thiazole-5-carboxamide (BMS-640994)-A potent and efficacious p38alpha MAP kinase inhibitor
Bioorg.Med.Chem.Lett., 18, 2008
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8HOG
 | | Crystal structure of Bcl-2 in complex with sonrotoclax | | 分子名称: | Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide | | 著者 | Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y. | | 登録日 | 2022-12-10 | | 公開日 | 2024-01-17 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
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8HOH
 | | Crystal structure of Bcl-2 G101V in complex with sonrotoclax | | 分子名称: | Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide | | 著者 | Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y. | | 登録日 | 2022-12-10 | | 公開日 | 2024-01-17 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
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8HOI
 | | Crystal structure of Bcl-2 D103Y in complex with sonrotoclax | | 分子名称: | Apoptosis regulator Bcl-2, FORMIC ACID, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide | | 著者 | Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y. | | 登録日 | 2022-12-10 | | 公開日 | 2024-01-17 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
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5VK3
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5WAK
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5WFC
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2OC1
 | | Structure of the HCV NS3/4A Protease Inhibitor CVS4819 | | 分子名称: | (2S)-({N-[(3S)-3-({N-[(2S,4E)-2-ISOPROPYL-7-METHYLOCT-4-ENOYL]-L-LEUCYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETI C ACID, Hepatitis C virus, ZINC ION | | 著者 | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | | 登録日 | 2006-12-20 | | 公開日 | 2007-07-31 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
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2OBQ
 | | Discovery of the HCV NS3/4A Protease Inhibitor SCH503034. Key Steps in Structure-Based Optimization | | 分子名称: | Hepatitis C virus, ZINC ION | | 著者 | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | | 登録日 | 2006-12-19 | | 公開日 | 2007-07-31 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
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2OC0
 | | Structure of NS3 complexed with a ketoamide inhibitor SCh491762 | | 分子名称: | BETA-MERCAPTOETHANOL, Hepatitis C Virus, Hepatitis C virus, ... | | 著者 | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | | 登録日 | 2006-12-20 | | 公開日 | 2007-07-31 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
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2OBO
 | | Structure of HEPATITIS C VIRAL NS3 protease domain complexed with NS4A peptide and ketoamide SCH476776 | | 分子名称: | BETA-MERCAPTOETHANOL, HCV NS3 protease, HCV NS4A peptide, ... | | 著者 | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | | 登録日 | 2006-12-19 | | 公開日 | 2007-07-31 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
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5WAI
 | | Crystal Structure of a Suz12-Rbbp4-Jarid2-Aebp2 Heterotetrameric Complex | | 分子名称: | Histone-binding protein RBBP4, Jumonji, AT-rich interactive domain 2, ... | | 著者 | Chen, S, Jiao, L, Liu, X. | | 登録日 | 2017-06-26 | | 公開日 | 2018-03-14 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Unique Structural Platforms of Suz12 Dictate Distinct Classes of PRC2 for Chromatin Binding.
Mol. Cell, 69, 2018
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