7GLM
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![BU of 7glm by Molmil](/molmil-images/mine/7glm) | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-5cd9ea36-21 (Mpro-P1990) | 分子名称: | (4S)-6-chloro-2-[(2-cyanoethyl)(methyl)sulfamoyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ... | 著者 | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | 登録日 | 2023-08-11 | 公開日 | 2023-11-08 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.906 Å) | 主引用文献 | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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5O28
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![BU of 5o28 by Molmil](/molmil-images/mine/5o28) | E. coli FolD apo | 分子名称: | Bifunctional protein FolD | 著者 | Koehnke, J, Sikandar, A. | 登録日 | 2017-05-19 | 公開日 | 2018-02-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | The natural product carolacton inhibits folate-dependent C1 metabolism by targeting FolD/MTHFD. Nat Commun, 8, 2017
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7GM1
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![BU of 7gm1 by Molmil](/molmil-images/mine/7gm1) | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-2e8b2191-10 (Mpro-P2072) | 分子名称: | (4S)-6-chloro-N-{6-[(methanesulfonyl)amino]isoquinolin-4-yl}-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ... | 著者 | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | 登録日 | 2023-08-11 | 公開日 | 2023-11-08 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.939 Å) | 主引用文献 | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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7GME
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![BU of 7gme by Molmil](/molmil-images/mine/7gme) | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-90fd5f68-38 (Mpro-P2177) | 分子名称: | 3C-like proteinase, 4-[2-(3-chlorophenyl)acetamido]isoquinoline-7-carboxylic acid, CHLORIDE ION, ... | 著者 | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | 登録日 | 2023-08-11 | 公開日 | 2023-11-08 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.846 Å) | 主引用文献 | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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7GMU
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![BU of 7gmu by Molmil](/molmil-images/mine/7gmu) | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-90fd5f68-22 (Mpro-P2219) | 分子名称: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | 登録日 | 2023-08-11 | 公開日 | 2023-11-08 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.737 Å) | 主引用文献 | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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7GNA
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![BU of 7gna by Molmil](/molmil-images/mine/7gna) | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with ALP-POS-4483ae88-4 (Mpro-P2415) | 分子名称: | (4S)-6-chloro-1,1-dioxo-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ... | 著者 | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | 登録日 | 2023-08-11 | 公開日 | 2023-11-08 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.093 Å) | 主引用文献 | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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8AEB
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![BU of 8aeb by Molmil](/molmil-images/mine/8aeb) | SARS-CoV-2 Main Protease complexed with N-(pyridin-3-ylmethyl)thioformamide | 分子名称: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-(pyridin-3-ylmethyl)thioformamide, ... | 著者 | Hanoulle, X, Charton, J, Deprez, B. | 登録日 | 2022-07-12 | 公開日 | 2023-03-15 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Novel dithiocarbamates selectively inhibit 3CL protease of SARS-CoV-2 and other coronaviruses. Eur.J.Med.Chem., 250, 2023
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5NUM
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![BU of 5num by Molmil](/molmil-images/mine/5num) | Engineered beta-lactoglobulin: variant F105L-L39A in complex with chlorpromazine (LG-LA-CLP) | 分子名称: | 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine, Beta-lactoglobulin, PHOSPHATE ION | 著者 | Loch, J.I, Bonarek, P, Tworzydlo, M, Lazinska, I, Szydlowska, J, Lewinski, K. | 登録日 | 2017-04-30 | 公開日 | 2018-04-04 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The engineered beta-lactoglobulin with complementarity to the chlorpromazine chiral conformers. Int. J. Biol. Macromol., 114, 2018
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5NUJ
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![BU of 5nuj by Molmil](/molmil-images/mine/5nuj) | Engineered beta-lactoglobulin: variant I56F-L39A in complex with chlorpromazine (LG-FA-CLP) | 分子名称: | 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine, Beta-lactoglobulin | 著者 | Loch, J.I, Bonarek, P, Tworzydlo, M, Lazinska, I, Szydlowska, J, Lewinski, K. | 登録日 | 2017-04-30 | 公開日 | 2018-04-04 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | The engineered beta-lactoglobulin with complementarity to the chlorpromazine chiral conformers. Int. J. Biol. Macromol., 114, 2018
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6W0X
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![BU of 6w0x by Molmil](/molmil-images/mine/6w0x) | |
8ASU
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![BU of 8asu by Molmil](/molmil-images/mine/8asu) | |
8AMH
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![BU of 8amh by Molmil](/molmil-images/mine/8amh) | |
6ROZ
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![BU of 6roz by Molmil](/molmil-images/mine/6roz) | |
4ZRD
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![BU of 4zrd by Molmil](/molmil-images/mine/4zrd) | Crystal structure of SMG1 F278N mutant | 分子名称: | GLYCEROL, LIP1, secretory lipase (Family 3), ... | 著者 | Xu, J, Xu, H, Hou, S, Liu, J. | 登録日 | 2015-05-12 | 公開日 | 2015-09-23 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure of product-bound SMG1 lipase: active site gating implications. Febs J., 282, 2015
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7MU8
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![BU of 7mu8 by Molmil](/molmil-images/mine/7mu8) | Structure of the minimally glycosylated human CEACAM1 N-terminal domain | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Carcinoembryonic antigen-related cell adhesion molecule 1, GLYCEROL, ... | 著者 | Belcher Dufrisne, M, Swope, N, Kieber, M, Yang, J.Y, Han, J, Li, J, Moremen, K.W, Prestegard, J.H, Columbus, L. | 登録日 | 2021-05-14 | 公開日 | 2022-02-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Human CEACAM1 N-domain dimerization is independent from glycan modifications. Structure, 30, 2022
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5O2A
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![BU of 5o2a by Molmil](/molmil-images/mine/5o2a) | FolD Q98H | 分子名称: | Bifunctional protein FolD | 著者 | Koehnke, J, Sikandar, A. | 登録日 | 2017-05-19 | 公開日 | 2018-02-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The natural product carolacton inhibits folate-dependent C1 metabolism by targeting FolD/MTHFD. Nat Commun, 8, 2017
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5O46
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![BU of 5o46 by Molmil](/molmil-images/mine/5o46) | Crystal structure of Iristatin, a secreted salivary cystatin from the hard tick Ixodes ricinus | 分子名称: | GLYCEROL, Iristatin | 著者 | Busa, M, Rezacova, P, Kotal, J, Kotsyfakis, M, Mares, M. | 登録日 | 2017-05-26 | 公開日 | 2018-06-13 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | The structure and function of Iristatin, a novel immunosuppressive tick salivary cystatin. Cell.Mol.Life Sci., 76, 2019
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8UT9
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![BU of 8ut9 by Molmil](/molmil-images/mine/8ut9) | CryoEM structure of A/Shanghai/1/2013 H7 in complex with polyclonal Fab from mice immunized with H7 stem nanoparticles-28 days post immunization | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Huang, J, Han, J, Ward, A.B. | 登録日 | 2023-10-30 | 公開日 | 2024-05-08 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses. Immunity, 57, 2024
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8UT7
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![BU of 8ut7 by Molmil](/molmil-images/mine/8ut7) | CryoEM structure of A/Perth/16/2009 H3 in complex with polyclonal Fab from mice immunized with H3 stem nanoparticles-28 days post immunization | 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, H3D28 pFab HC Fv_polyA, ... | 著者 | Huang, J, Han, J, Ward, A.B. | 登録日 | 2023-10-30 | 公開日 | 2024-05-08 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | 主引用文献 | Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses. Immunity, 57, 2024
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8Q19
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![BU of 8q19 by Molmil](/molmil-images/mine/8q19) | The Crystal Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide | 分子名称: | 2-but-2-ynyl-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ... | 著者 | Leitans, J, Tars, K. | 登録日 | 2023-07-31 | 公開日 | 2023-11-08 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.63 Å) | 主引用文献 | Structural Basis of Saccharin Derivative Inhibition of Carbonic Anhydrase IX. Chemmedchem, 18, 2023
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8UT3
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![BU of 8ut3 by Molmil](/molmil-images/mine/8ut3) | CryoEM structure of A/Perth/16/2009 H3 in complex with flu HA central stem VH1-18 antibody UCA6 | 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, Hemagglutinin, ... | 著者 | Huang, J, Han, J, Ward, A.B. | 登録日 | 2023-10-30 | 公開日 | 2024-05-08 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses. Immunity, 57, 2024
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8UT8
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![BU of 8ut8 by Molmil](/molmil-images/mine/8ut8) | CryoEM structure of A/Shanghai/1/2013 H7 in complex with polyclonal Fab from mice immunized with H7 stem nanoparticles-15 days post-immunization | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Huang, J, Han, J, Ward, A.B. | 登録日 | 2023-10-30 | 公開日 | 2024-05-08 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses. Immunity, 57, 2024
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8Q18
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![BU of 8q18 by Molmil](/molmil-images/mine/8q18) | The Crystal Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide | 分子名称: | 1,1,3-tris(oxidanylidene)-2-(2-phenylethyl)-1,2-benzothiazole-6-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ... | 著者 | Leitans, J, Tars, K. | 登録日 | 2023-07-31 | 公開日 | 2023-11-08 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | Structural Basis of Saccharin Derivative Inhibition of Carbonic Anhydrase IX. Chemmedchem, 18, 2023
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8Q1A
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![BU of 8q1a by Molmil](/molmil-images/mine/8q1a) | The Crystal Structure of Human Carbonic Anhydrase IX in Complex with inhibitor | 分子名称: | 1,1,3-tris(oxidanylidene)-2-pentyl-1,2-benzothiazole-6-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ... | 著者 | Leitans, J, Tars, K. | 登録日 | 2023-07-31 | 公開日 | 2023-11-08 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structural Basis of Saccharin Derivative Inhibition of Carbonic Anhydrase IX. Chemmedchem, 18, 2023
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8UT6
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![BU of 8ut6 by Molmil](/molmil-images/mine/8ut6) | CryoEM structure of A/Perth/16/2009 H3 in complex with polyclonal Fab from mice immunized with H3 stem nanoparticles-15 days post immunization | 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, H3D15 pFab HC Fv_polyA, ... | 著者 | Huang, J, Han, J, Ward, A.B. | 登録日 | 2023-10-30 | 公開日 | 2024-05-08 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses. Immunity, 57, 2024
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