6XOJ
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8I60
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7NFV
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![BU of 7nfv by Molmil](/molmil-images/mine/7nfv) | Structure of SARS-CoV-2 Papain-like protease PLpro | 分子名称: | CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ... | 著者 | Srinivasan, V, Gunther, S, Reinke, P, Werner, N, Falke, S, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Sprenger, J, Lieske, J, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Koua, F, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Ewert, W, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Ehrt, C, Rarey, M, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Hinrichs, W, Meents, A, Betzel, C. | 登録日 | 2021-02-07 | 公開日 | 2021-02-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease. Commun Biol, 5, 2022
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1W87
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6XN6
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6XPA
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5WKH
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![BU of 5wkh by Molmil](/molmil-images/mine/5wkh) | D30 TCR in complex with HLA-A*11:01-GTS3 | 分子名称: | Beta-2-microglobulin, D30 TCR beta chain, GTS3 peptide, ... | 著者 | Gras, S, Rossjohn, J. | 登録日 | 2017-07-25 | 公開日 | 2017-09-20 | 最終更新日 | 2017-10-25 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Germline bias dictates cross-serotype reactivity in a common dengue-virus-specific CD8(+) T cell response. Nat. Immunol., 18, 2017
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5WKF
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![BU of 5wkf by Molmil](/molmil-images/mine/5wkf) | D30 TCR in complex with HLA-A*11:01-GTS1 | 分子名称: | Beta-2-microglobulin, D30 TCR beta chain, GTS1 peptide, ... | 著者 | Gras, S, Rossjohn, J. | 登録日 | 2017-07-25 | 公開日 | 2017-09-20 | 最終更新日 | 2017-10-25 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Germline bias dictates cross-serotype reactivity in a common dengue-virus-specific CD8(+) T cell response. Nat. Immunol., 18, 2017
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6RLW
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3OY1
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![BU of 3oy1 by Molmil](/molmil-images/mine/3oy1) | Highly Selective c-Jun N-Terminal Kinase (JNK) 2 and 3 Inhibitors with In Vitro CNS-like Pharmacokinetic Properties | 分子名称: | 5-[2-(cyclohexylamino)pyridin-4-yl]-4-naphthalen-2-yl-2-(tetrahydro-2H-pyran-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one, Mitogen-activated protein kinase 10 | 著者 | Probst, G.D, Bowers, S, Sealy, J.M, Truong, A, Neitz, J, Hom, R.K, Galemmo Jr, R.A, Konradi, A.W, Sham, H.L, Quincy, D, Pan, H, Yao, N. | 登録日 | 2010-09-22 | 公開日 | 2011-08-17 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Highly selective c-Jun N-terminal kinase (JNK) 2 and 3 inhibitors with in vitro CNS-like pharmacokinetic properties prevent neurodegeneration. Bioorg.Med.Chem.Lett., 21, 2011
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1N3Z
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![BU of 1n3z by Molmil](/molmil-images/mine/1n3z) | Crystal structure of the [S-carboxyamidomethyl-Cys31, S-carboxyamidomethyl-Cys32] monomeric derivative of the bovine seminal ribonuclease in the liganded state | 分子名称: | 3'-URIDINEMONOPHOSPHATE, ADENOSINE, Ribonuclease, ... | 著者 | Sica, F, Di Fiore, A, Zagari, A, Mazzarella, L. | 登録日 | 2002-10-30 | 公開日 | 2003-08-26 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | The unswapped chain of bovine seminal ribonuclease: Crystal structure of the free and liganded monomeric derivative Proteins, 52, 2003
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7ZHI
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7ZGS
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7ZP2
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![BU of 7zp2 by Molmil](/molmil-images/mine/7zp2) | Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum in complex with BDA-04 | 分子名称: | Aspartate carbamoyltransferase, SODIUM ION, SULFATE ION, ... | 著者 | Wang, C, Zhang, B, Groves, M.R. | 登録日 | 2022-04-26 | 公開日 | 2022-08-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.292 Å) | 主引用文献 | Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials. J.Am.Chem.Soc., 144, 2022
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7ZST
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![BU of 7zst by Molmil](/molmil-images/mine/7zst) | Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum in complex with FLA-01 | 分子名称: | 2-azanyl-~{N}-(2-methoxyethyl)-5-phenyl-thiophene-3-carboxamide, Aspartate carbamoyltransferase, GLYCEROL, ... | 著者 | Wang, C, Zhang, B, Groves, M.R. | 登録日 | 2022-05-08 | 公開日 | 2022-08-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials. J.Am.Chem.Soc., 144, 2022
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7ZID
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8T5G
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![BU of 8t5g by Molmil](/molmil-images/mine/8t5g) | SOS2 co-crystal structure with fragment bound (compound 12) | 分子名称: | DIMETHYL SULFOXIDE, SULFATE ION, Son of sevenless homolog 2, ... | 著者 | Gunn, R.J, Lawson, J.D, Ivetac, A, Ulaganathan, T, Coulombe, R, Fethiere, J. | 登録日 | 2023-06-13 | 公開日 | 2024-01-10 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Discovery of Five SOS2 Fragment Hits with Binding Modes Determined by SOS2 X-Ray Cocrystallography. J.Med.Chem., 67, 2024
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8T5M
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![BU of 8t5m by Molmil](/molmil-images/mine/8t5m) | SOS2 crystal structure with fragment bound (compound 14) | 分子名称: | 1,2-ETHANEDIOL, 4-[(1R,2S)-1-hydroxy-2-{[2-(4-hydroxyphenyl)ethyl]amino}propyl]phenol, SULFATE ION, ... | 著者 | Gunn, R.J, Lawson, J.D, Ivetac, A, Ulaganathan, T, Coulombe, R, Fethiere, J. | 登録日 | 2023-06-14 | 公開日 | 2024-01-10 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Discovery of Five SOS2 Fragment Hits with Binding Modes Determined by SOS2 X-Ray Cocrystallography. J.Med.Chem., 67, 2024
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8T5R
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![BU of 8t5r by Molmil](/molmil-images/mine/8t5r) | SOS2 crystal structure with fragment bound (compound 13) | 分子名称: | 4-(aminomethyl)benzene-1-sulfonamide, SULFATE ION, Son of sevenless homolog 2 | 著者 | Gunn, R.J, Lawson, J.D, Ivetac, A, Ulaganathan, T, Coulombe, R, Fethiere, J. | 登録日 | 2023-06-14 | 公開日 | 2024-01-10 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Discovery of Five SOS2 Fragment Hits with Binding Modes Determined by SOS2 X-Ray Cocrystallography. J.Med.Chem., 67, 2024
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8UF2
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8UH0
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8UC9
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8C3D
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![BU of 8c3d by Molmil](/molmil-images/mine/8c3d) | Sulfonated Calpeptin is a promising drug candidate against SARS-CoV-2 infections | 分子名称: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, CALCIUM ION, Cathepsin K | 著者 | Loboda, J, Karnicar, K, Lindic, N, Usenik, A, Lieske, J, Meents, A, Guenther, S, Reinke, P.Y.A, Falke, S, Ewert, W, Turk, D. | 登録日 | 2022-12-23 | 公開日 | 2023-09-27 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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7Z3U
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![BU of 7z3u by Molmil](/molmil-images/mine/7z3u) | Crystal structure of SARS-CoV-2 Main Protease after incubation with Sulfo-Calpeptin | 分子名称: | 3C-like proteinase nsp5, CHLORIDE ION, Calpetin, ... | 著者 | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | 登録日 | 2022-03-02 | 公開日 | 2023-03-22 | 最終更新日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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7Z58
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![BU of 7z58 by Molmil](/molmil-images/mine/7z58) | Crystal structure of human Cathepsin L in complex with covalently bound Calpeptin | 分子名称: | 1,2-ETHANEDIOL, Calpeptin, Cathepsin L, ... | 著者 | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | 登録日 | 2022-03-08 | 公開日 | 2023-03-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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