7GCB
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![BU of 7gcb by Molmil](/molmil-images/mine/7gcb) | 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 JAN-GHE-83b26c96-13 (Mpro-x10565) | 分子名称: | 2-(3-iodophenyl)-N-(4-methylpyridin-3-yl)acetamide, 3C-like proteinase, 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 (1.608 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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7GCR
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![BU of 7gcr by Molmil](/molmil-images/mine/7gcr) | 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 WAR-XCH-72a8c209-5 (Mpro-x10728) | 分子名称: | 1-[(3R)-3-{(cyclohexylmethyl)[(1r,4R)-4-hydroxycyclohexyl]amino}piperidin-1-yl]ethan-1-one, 3C-like proteinase, 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 (1.67 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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7GCG
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![BU of 7gcg by Molmil](/molmil-images/mine/7gcg) | 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 JAN-GHE-83b26c96-21 (Mpro-x10606) | 分子名称: | 3-chloro-N-(4-methylpyridin-3-yl)benzene-1-sulfonamide, 3C-like proteinase, 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 (1.887 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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7GD5
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![BU of 7gd5 by Molmil](/molmil-images/mine/7gd5) | 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-d2866bdf-1 (Mpro-x10876) | 分子名称: | 2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(thiophen-3-yl)methyl]acetamide, 3C-like proteinase, 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 (1.809 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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7GCX
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![BU of 7gcx by Molmil](/molmil-images/mine/7gcx) | 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-590ac91e-24 (Mpro-x10801) | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-(4-methylpyridin-3-yl)-2-(spiro[2.3]hexan-5-yl)acetamide | 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 (1.75 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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5LVX
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![BU of 5lvx by Molmil](/molmil-images/mine/5lvx) | Crystal structure of glucocerebrosidase with an inhibitory quinazoline modulator | 分子名称: | 11-[(2~{R})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid, 11-[(2~{S})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zheng, J, Chen, L, Skinner, O.S, Lansbury, P, Skerlj, R, Mrosek, M, Heunisch, U, Krapp, S, Weigand, S, Charrow, J, Schwake, M, Kelleher, N.L, Silverman, R.B, Krainc, D. | 登録日 | 2016-09-14 | 公開日 | 2017-10-25 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | beta-Glucocerebrosidase Modulators Promote Dimerization of beta-Glucocerebrosidase and Reveal an Allosteric Binding Site. J. Am. Chem. Soc., 140, 2018
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1NLS
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![BU of 1nls by Molmil](/molmil-images/mine/1nls) | CONCANAVALIN A AND ITS BOUND SOLVENT AT 0.94A RESOLUTION | 分子名称: | CALCIUM ION, CONCANAVALIN A, MANGANESE (II) ION | 著者 | Deacon, A.M, Gleichmann, T, Helliwell, J.R, Kalb(Gilboa), A.J. | 登録日 | 1997-01-28 | 公開日 | 1997-11-26 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (0.94 Å) | 主引用文献 | The Structure of Concanavalin a and its Bound Solvent Determined with Small-Molecule Accuracy at 0.94 A Resolution J.Chem.Soc.,Faraday Trans., 93, 1997
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6ELE
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![BU of 6ele by Molmil](/molmil-images/mine/6ele) | FAB Fragment. AbVance: Increasing our knowledge of antibody structural space to enable faster and better decision making in antibody drug discovery | 分子名称: | 1,2-ETHANEDIOL, SODIUM ION, fAB heavy chain, ... | 著者 | Benz, J, Weigand, S, Dengl, S, Schlothauer, T, Auer, J, Ehler, A, Kettenberger, H, Lorenz, S, Hirschheydt, T, Georges, G. | 登録日 | 2017-09-28 | 公開日 | 2017-11-08 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | AbVance: increasing our knowledge of antibody structural space to enable faster and better decision making in antibody drug discovery To Be Published
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6EMJ
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![BU of 6emj by Molmil](/molmil-images/mine/6emj) | FAB Fragment. AbVance: Increasing our knowledge of antibody structural space to enable faster and better decision making in antibody drug discovery | 分子名称: | SODIUM ION, fAB heavy chain, fAb light chain | 著者 | Benz, J, Weigand, S, Dengl, S, Schlothauer, T, Auer, J, Ehler, A, Kettenberger, H, Lorenz, S, Hirschheydt, T, Georges, G. | 登録日 | 2017-10-02 | 公開日 | 2017-11-08 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | AbVance: increasing our knowledge of antibody structural space to enable faster and better decision making in antibody drug discovery To Be Published
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6QVP
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![BU of 6qvp by Molmil](/molmil-images/mine/6qvp) | |
6ELJ
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![BU of 6elj by Molmil](/molmil-images/mine/6elj) | FAB Fragment. AbVance: Increasing our knowledge of antibody structural space to enable faster and better decision making in antibody drug discovery | 分子名称: | fAB heavy chain, fAB light chain | 著者 | Benz, J, Weigand, S, Dengl, S, Schlothauer, T, Auer, J, Ehler, A, Kettenberger, H, Lorenz, S, Hirschheydt, T, Georges, G. | 登録日 | 2017-09-29 | 公開日 | 2017-11-08 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | AbVance: increasing our knowledge of antibody structural space to enable faster and better decision making in antibody drug discovery To Be Published
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6ELL
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![BU of 6ell by Molmil](/molmil-images/mine/6ell) | FAB Fragment. AbVance: Increasing our knowledge of antibody structural space to enable faster and better decision making in antibody drug discovery | 分子名称: | fAB heavy chain, fAB light chain | 著者 | Benz, J, Weigand, S, Dengl, S, Schlothauer, T, Auer, J, Ehler, A, Kettenberger, H, Lorenz, S, Hirschheydt, T, Georges, G. | 登録日 | 2017-09-29 | 公開日 | 2017-11-08 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | AbVance: increasing our knowledge of antibody structural space to enable faster and better decision making in antibody drug discovery To Be Published
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4UNV
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![BU of 4unv by Molmil](/molmil-images/mine/4unv) | Covalent dimer of lambda variable domains | 分子名称: | IG LAMBDA CHAIN V-II REGION MGC, SULFATE ION | 著者 | Brumshtein, B, Esswein, S, Landau, M, Ryan, C, Whitelegge, J, Sawaya, M, Eisenberg, D.S. | 登録日 | 2014-05-30 | 公開日 | 2014-08-27 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Formation of Amyloid Fibers by Monomeric Light-Chain Variable Domains. J.Biol.Chem., 289, 2014
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6GY9
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![BU of 6gy9 by Molmil](/molmil-images/mine/6gy9) | Fucose-functionalized precision glycomacromolecules targeting human norovirus capsid protein | 分子名称: | 1,2-ETHANEDIOL, 2-(1H-1,2,3-triazol-1-yl)ethyl 6-deoxy-alpha-L-galactopyranoside, Capsid protein | 著者 | Ruoff, K, Kilic, T, Hansman, G.S. | 登録日 | 2018-06-28 | 公開日 | 2018-08-22 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Fucose-Functionalized Precision Glycomacromolecules Targeting Human Norovirus Capsid Protein. Biomacromolecules, 19, 2018
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6QCN
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![BU of 6qcn by Molmil](/molmil-images/mine/6qcn) | Human Sirt2 in complex with ADP-ribose and the inhibitor quercetin | 分子名称: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, NAD-dependent protein deacetylase sirtuin-2, ZINC ION, ... | 著者 | Riemer, S, You, W, Steegborn, C. | 登録日 | 2018-12-29 | 公開日 | 2019-12-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Structural basis for the activation and inhibition of Sirtuin 6 by quercetin and its derivatives. Sci Rep, 9, 2019
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6GV5
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![BU of 6gv5 by Molmil](/molmil-images/mine/6gv5) | |
6GV8
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![BU of 6gv8 by Molmil](/molmil-images/mine/6gv8) | |
4YZD
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![BU of 4yzd by Molmil](/molmil-images/mine/4yzd) | |
4YZ9
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4YZC
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5CNP
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![BU of 5cnp by Molmil](/molmil-images/mine/5cnp) | X-ray crystal structure of Spermidine n1-acetyltransferase from Vibrio cholerae. | 分子名称: | ISOPROPYL ALCOHOL, MAGNESIUM ION, Spermidine N(1)-acetyltransferase | 著者 | Osipiuk, J, VOLKART, L, MOY, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2015-07-17 | 公開日 | 2015-07-29 | 最終更新日 | 2019-12-11 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Substrate-Induced Allosteric Change in the Quaternary Structure of the Spermidine N-Acetyltransferase SpeG. J.Mol.Biol., 427, 2015
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2XGE
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![BU of 2xge by Molmil](/molmil-images/mine/2xge) | Crystal structure of a designed heterodimeric variant T-A(A)B of the tetracycline repressor | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ... | 著者 | Stiebritz, M.T, Wengrzik, S, Richter, J.P, Muller, Y.A. | 登録日 | 2010-06-03 | 公開日 | 2010-09-22 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Computational Design of a Chain-Specific Tetracycline Repressor Heterodimer. J.Mol.Biol., 403, 2010
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7KDT
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2XGC
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![BU of 2xgc by Molmil](/molmil-images/mine/2xgc) | Crystal structure of a designed heterodimeric variant T-A(I)B of the tetracycline repressor | 分子名称: | TETRACYCLINE REPRESSOR PROTEIN CLASS B FROM TRANSPOSON TN10, TETRACYCLINE REPRESSOR PROTEIN CLASS D | 著者 | Stiebritz, M.T, Wengrzik, S, Richter, J.P, Muller, Y.A. | 登録日 | 2010-06-03 | 公開日 | 2010-09-22 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Computational Design of a Chain-Specific Tetracycline Repressor Heterodimer. J.Mol.Biol., 403, 2010
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2XGD
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![BU of 2xgd by Molmil](/molmil-images/mine/2xgd) | Crystal structure of a designed homodimeric variant T-A(L)A(L) of the tetracycline repressor | 分子名称: | CHLORIDE ION, TETRACYCLINE REPRESSOR PROTEIN CLASS B FROM TRANSPOSON TN10, TETRACYCLINE REPRESSOR PROTEIN CLASS D | 著者 | Stiebritz, M.T, Wengrzik, S, Richter, J.P, Muller, Y.A. | 登録日 | 2010-06-03 | 公開日 | 2010-09-22 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Computational Design of a Chain-Specific Tetracycline Repressor Heterodimer. J.Mol.Biol., 403, 2010
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