5REZ
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![BU of 5rez by Molmil](/molmil-images/mine/5rez) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with POB0129 | 分子名称: | (1R,2S)-2-(thiophen-3-yl)cyclopentane-1-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | 登録日 | 2020-03-15 | 公開日 | 2020-03-25 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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5RFE
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![BU of 5rfe by Molmil](/molmil-images/mine/5rfe) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z509756472 | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | 登録日 | 2020-03-15 | 公開日 | 2020-03-25 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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5RFT
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![BU of 5rft by Molmil](/molmil-images/mine/5rft) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102432 | 分子名称: | 1-[(4S)-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | 登録日 | 2020-03-15 | 公開日 | 2020-03-25 | 最終更新日 | 2021-02-24 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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4B7J
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![BU of 4b7j by Molmil](/molmil-images/mine/4b7j) | H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained by Kinetic and Structural Analysis | 分子名称: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | van der Vries, E, Vachieri, S.G, Xiong, X, Liu, J, Collins, P.J, Walker, P.A, Haire, L.F, Hay, A.J, Schutten, M, Osterhaus, A.D.M.E, Martin, S.R, Boucher, C.A.B, Skehel, J.J, Gamblin, S.J. | 登録日 | 2012-08-20 | 公開日 | 2012-10-03 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.417 Å) | 主引用文献 | H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained by Kinetic and Structural Analysis Plos Pathog., 8, 2012
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2H50
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![BU of 2h50 by Molmil](/molmil-images/mine/2h50) | Multiple distinct assemblies reveal conformational flexibility in the small heat shock protein Hsp26 | 分子名称: | small heat shock protein Hsp26 | 著者 | White, H.E, Orlova, E.V, Chen, S, Wang, L, Ignatiou, A, Gowen, B, Stromer, T, Franzmann, T.M, Haslbeck, M, Buchner, J, Saibil, H.R. | 登録日 | 2006-05-25 | 公開日 | 2006-08-01 | 最終更新日 | 2024-02-14 | 実験手法 | ELECTRON MICROSCOPY (10.8 Å) | 主引用文献 | Multiple distinct assemblies reveal conformational flexibility in the small heat shock protein hsp26 Structure, 14, 2006
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4ASQ
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![BU of 4asq by Molmil](/molmil-images/mine/4asq) | Crystal structure of ANCE in complex with Bradykinin | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN-CONVERTING ENZYME, BRADYKININ, ... | 著者 | Akif, M, Masuyer, G, Sturrock, E.D, Isaac, R.E, Acharya, K.R. | 登録日 | 2012-05-02 | 公開日 | 2012-10-31 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Structural Basis of Peptide Recognition by the Angiotensin-I Converting Enzyme Homologue Ance from Drosophila Melanogaster FEBS J., 279, 2012
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5RE6
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![BU of 5re6 by Molmil](/molmil-images/mine/5re6) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z54571979 | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-{4-[(pyrimidin-2-yl)oxy]phenyl}acetamide | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | 登録日 | 2020-03-15 | 公開日 | 2020-03-25 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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5REM
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![BU of 5rem by Molmil](/molmil-images/mine/5rem) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0103016 | 分子名称: | 1 1-(4-(2-nitrophenyl)piperazin-1-yl)ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | 登録日 | 2020-03-15 | 公開日 | 2020-03-25 | 最終更新日 | 2021-02-24 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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5RF3
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![BU of 5rf3 by Molmil](/molmil-images/mine/5rf3) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1741970824 | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, pyrimidin-5-amine | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | 登録日 | 2020-03-15 | 公開日 | 2020-03-25 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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5RFJ
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![BU of 5rfj by Molmil](/molmil-images/mine/5rfj) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0103067 | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | 登録日 | 2020-03-15 | 公開日 | 2020-03-25 | 最終更新日 | 2021-02-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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5RFX
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![BU of 5rfx by Molmil](/molmil-images/mine/5rfx) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102254 | 分子名称: | 1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | 登録日 | 2020-03-15 | 公開日 | 2020-03-25 | 最終更新日 | 2021-02-24 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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4ASR
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![BU of 4asr by Molmil](/molmil-images/mine/4asr) | Crystal structure of ANCE in complex with Thr6-Bradykinin | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN-CONVERTING ENZYME, BRADYKININ, ... | 著者 | Akif, M, Masuyer, G, Sturrock, E.D, Isaac, R.E, Acharya, K.R. | 登録日 | 2012-05-02 | 公開日 | 2012-10-31 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural Basis of Peptide Recognition by the Angiotensin-I Converting Enzyme Homologue Ance from Drosophila Melanogaster FEBS J., 279, 2012
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4JIJ
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![BU of 4jij by Molmil](/molmil-images/mine/4jij) | Crystal structure of an inactive mutant of MMP-9 catalytic domain in complex with a fluorogenic synthetic peptidic substrate | 分子名称: | 1,2-ETHANEDIOL, AZIDE ION, CALCIUM ION, ... | 著者 | Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Tranchant, I, Amoura, M, Dive, V. | 登録日 | 2013-03-06 | 公開日 | 2014-03-12 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.698 Å) | 主引用文献 | Halogen Bonding Controls Selectivity of FRET Substrate Probes for MMP-9. Chem.Biol., 21, 2014
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4BA1
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1HFD
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![BU of 1hfd by Molmil](/molmil-images/mine/1hfd) | HUMAN COMPLEMENT FACTOR D IN A P21 CRYSTAL FORM | 分子名称: | COMPLEMENT FACTOR D | 著者 | Jing, H, Babu, Y.S, Moore, D, Kilpatrick, J.M, Liu, X.-Y, Volanakis, J.E, Narayana, S.V.L. | 登録日 | 1998-06-18 | 公開日 | 1999-06-22 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structures of native and complexed complement factor D: implications of the atypical His57 conformation and self-inhibitory loop in the regulation of specific serine protease activity. J.Mol.Biol., 282, 1998
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2XIQ
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![BU of 2xiq by Molmil](/molmil-images/mine/2xiq) | Crystal structure of human methylmalonyl-CoA mutase in complex with adenosylcobalamin and malonyl-CoA | 分子名称: | 5'-DEOXYADENOSINE, COBALAMIN, MALONYL-COENZYME A, ... | 著者 | Yue, W.W, Froese, D.S, Kochan, G, Chaikuad, A, Krojer, T, Muniz, J, Ugochukwu, E, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U. | 登録日 | 2010-06-30 | 公開日 | 2010-09-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structures of the Human Gtpase Mmaa and Vitamin B12-Dependent Methylmalonyl-Coa Mutase and Insight Into Their Complex Formation. J.Biol.Chem., 285, 2010
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1H36
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![BU of 1h36 by Molmil](/molmil-images/mine/1h36) | Structures of Human Oxidosqualene Cyclase Inhibitors Bound to an Homologous Enzyme | 分子名称: | (4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT-2-ENYL}OXY)PHENYL]METHANONE, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, SQUALENE--HOPENE CYCLASE | 著者 | Lenhart, A, Reinert, D.J, Weihofen, W.A, Aebi, J.D, Dehmlow, H, Morand, O.H, Schulz, G.E. | 登録日 | 2002-08-24 | 公開日 | 2003-08-21 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Binding Structures and Potencies of Oxidosqualene Cyclase Inhibitors with the Homologous Squalene-Hopene Cyclase J.Med.Chem., 46, 2003
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2Y39
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![BU of 2y39 by Molmil](/molmil-images/mine/2y39) | Ni-bound form of Cupriavidus metallidurans CH34 CnrXs | 分子名称: | ACETATE ION, NICKEL (II) ION, NICKEL AND COBALT RESISTANCE PROTEIN CNRR | 著者 | Trepreau, J, Girard, E, Maillard, A.P, de Rosny, E, Petit-Haertlein, I, Kahn, R, Coves, J. | 登録日 | 2010-12-20 | 公開日 | 2011-03-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | Structural Basis for Metal Sensing by Cnrx. J.Mol.Biol., 408, 2011
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1HGI
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![BU of 1hgi by Molmil](/molmil-images/mine/1hgi) | BINDING OF INFLUENZA VIRUS HEMAGGLUTININ TO ANALOGS OF ITS CELL-SURFACE RECEPTOR, SIALIC ACID: ANALYSIS BY PROTON NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY AND X-RAY CRYSTALLOGRAPHY | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ, CHAIN HA1, ... | 著者 | Sauter, N.K, Hanson, J.E, Glick, G.D, Brown, J.H, Crowther, R.L, Park, S.-J, Skehel, J.J, Wiley, D.C. | 登録日 | 1991-11-01 | 公開日 | 1994-01-31 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Binding of influenza virus hemagglutinin to analogs of its cell-surface receptor, sialic acid: analysis by proton nuclear magnetic resonance spectroscopy and X-ray crystallography. Biochemistry, 31, 1992
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4B0T
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![BU of 4b0t by Molmil](/molmil-images/mine/4b0t) | Structure of the Pup Ligase PafA of the Prokaryotic Ubiquitin-like Modification Pathway in Complex with ADP | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PUP--PROTEIN LIGASE | 著者 | Ozcelik, D, Barandun, J, Schmitz, N, Sutter, M, Guth, E, Damberger, F.F, Allain, F.H.-T, Ban, N, Weber-Ban, E. | 登録日 | 2012-07-04 | 公開日 | 2012-09-12 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.159 Å) | 主引用文献 | Structures of Pup Ligase Pafa and Depupylase Dop from the Prokaryotic Ubiquitin-Like Modification Pathway. Nat.Commun., 3, 2012
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2XEQ
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5RED
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![BU of 5red by Molmil](/molmil-images/mine/5red) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2856434865 | 分子名称: | 3C-like proteinase, 4-[2-(phenylsulfanyl)ethyl]morpholine, DIMETHYL SULFOXIDE | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | 登録日 | 2020-03-15 | 公開日 | 2020-03-25 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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5REW
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![BU of 5rew by Molmil](/molmil-images/mine/5rew) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102275 | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(1R)-1-(naphthalen-1-yl)ethyl]acetamide | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | 登録日 | 2020-03-15 | 公開日 | 2020-03-25 | 最終更新日 | 2021-02-24 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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2XBO
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![BU of 2xbo by Molmil](/molmil-images/mine/2xbo) | Equine Rhinitis A Virus in Complex with its Sialic Acid Receptor | 分子名称: | N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, P1 | 著者 | Fry, E.E, Tuthill, T.J, Harlos, K, Walter, T.S, Rowlands, D.J, Stuart, D.I. | 登録日 | 2010-04-14 | 公開日 | 2010-09-22 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (4 Å) | 主引用文献 | The Crystal Structure of Equine Rhinitis a Virus in Complex with its Sialic Acid Receptor. J.Gen.Virol., 91, 2010
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5RF5
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![BU of 5rf5 by Molmil](/molmil-images/mine/5rf5) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z3241250482 | 分子名称: | 1,1-bis(oxidanylidene)thietan-3-ol, 3C-like proteinase, DIMETHYL SULFOXIDE | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | 登録日 | 2020-03-15 | 公開日 | 2020-03-25 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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