7KQW
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![BU of 7kqw by Molmil](/molmil-images/mine/7kqw) | Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, methylated) | Descriptor: | Non-structural protein 3 | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | Deposit date: | 2020-11-17 | Release date: | 2020-12-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (0.93 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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7KQO
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1VGL
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![BU of 1vgl by Molmil](/molmil-images/mine/1vgl) | Crystal structure of tetrameric KaiB from T.elongatus BP-1 | Descriptor: | Circadian clock protein kaiB, MERCURY (II) ION | Authors: | Iwase, R, Imada, K, Hayashi, F, Uzumaki, T, Namba, K, Ishiura, M. | Deposit date: | 2004-04-27 | Release date: | 2005-08-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Functionally important substructures of circadian clock protein KaiB in a unique tetramer complex. J.Biol.Chem., 280, 2005
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6PGN
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![BU of 6pgn by Molmil](/molmil-images/mine/6pgn) | PagF single mutant with GPP | Descriptor: | GERANYL DIPHOSPHATE, MAGNESIUM ION, PagF | Authors: | Nair, S.K, Hao, Y, Estrada, P. | Deposit date: | 2019-06-24 | Release date: | 2019-07-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A Single Amino Acid Switch Alters the Isoprene Donor Specificity in
Ribosomally Synthesized and Post-Translationally Modified Peptide
Prenyltransferases J. Am. Chem. Soc., 140, 2018
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1JKD
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![BU of 1jkd by Molmil](/molmil-images/mine/1jkd) | HUMAN LYSOZYME MUTANT WITH TRP 109 REPLACED BY ALA | Descriptor: | LYSOZYME, NITRATE ION | Authors: | Muraki, M, Harata, K, Goda, S, Nagahora, H. | Deposit date: | 1996-11-13 | Release date: | 1997-05-15 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Importance of van der Waals contact between Glu 35 and Trp 109 to the catalytic action of human lysozyme. Protein Sci., 6, 1997
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2E0M
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![BU of 2e0m by Molmil](/molmil-images/mine/2e0m) | Mutant Human Ribonuclease 1 (T24L, Q28L, R31L, R32L) | Descriptor: | CADMIUM ION, CHLORIDE ION, Ribonuclease | Authors: | Yamada, H, Tamada, T, Kosaka, M, Kuroki, R. | Deposit date: | 2006-10-10 | Release date: | 2007-08-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 'Crystal lattice engineering,' an approach to engineer protein crystal contacts by creating intermolecular symmetry: crystallization and structure determination of a mutant human RNase 1 with a hydrophobic interface of leucines Protein Sci., 16, 2007
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6PGM
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![BU of 6pgm by Molmil](/molmil-images/mine/6pgm) | PirF geranyltransferase | Descriptor: | PirF Geranyltransferase | Authors: | Nair, S.K, Hao, Y, Estrada, P. | Deposit date: | 2019-06-24 | Release date: | 2019-07-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A Single Amino Acid Switch Alters the Isoprene Donor Specificity in Ribosomally Synthesized and Post-Translationally Modified Peptide Prenyltransferases. J.Am.Chem.Soc., 140, 2018
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1JKC
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![BU of 1jkc by Molmil](/molmil-images/mine/1jkc) | HUMAN LYSOZYME MUTANT WITH TRP 109 REPLACED BY PHE | Descriptor: | LYSOZYME, NITRATE ION | Authors: | Muraki, M, Harata, K, Goda, S, Nagahora, H. | Deposit date: | 1996-11-13 | Release date: | 1997-05-15 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Importance of van der Waals contact between Glu 35 and Trp 109 to the catalytic action of human lysozyme. Protein Sci., 6, 1997
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2E0J
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![BU of 2e0j by Molmil](/molmil-images/mine/2e0j) | Mutant Human Ribonuclease 1 (R31L, R32L) | Descriptor: | Ribonuclease | Authors: | Yamada, H, Tamada, T, Kosaka, M, Kuroki, R. | Deposit date: | 2006-10-10 | Release date: | 2007-08-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | 'Crystal lattice engineering,' an approach to engineer protein crystal contacts by creating intermolecular symmetry: crystallization and structure determination of a mutant human RNase 1 with a hydrophobic interface of leucines Protein Sci., 16, 2007
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1JKB
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![BU of 1jkb by Molmil](/molmil-images/mine/1jkb) | HUMAN LYSOZYME MUTANT WITH GLU 35 REPLACED BY ALA | Descriptor: | LYSOZYME, NITRATE ION | Authors: | Muraki, M, Harata, K, Goda, S, Nagahora, H. | Deposit date: | 1996-11-13 | Release date: | 1997-05-15 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Importance of van der Waals contact between Glu 35 and Trp 109 to the catalytic action of human lysozyme. Protein Sci., 6, 1997
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2E0O
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![BU of 2e0o by Molmil](/molmil-images/mine/2e0o) | Mutant Human Ribonuclease 1 (V52L, D53L, N56L, F59L) | Descriptor: | GLYCEROL, Ribonuclease, SULFATE ION | Authors: | Yamada, H, Tamada, T, Kosaka, M, Kuroki, R. | Deposit date: | 2006-10-10 | Release date: | 2007-08-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 'Crystal lattice engineering,' an approach to engineer protein crystal contacts by creating intermolecular symmetry: crystallization and structure determination of a mutant human RNase 1 with a hydrophobic interface of leucines Protein Sci., 16, 2007
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2E0L
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![BU of 2e0l by Molmil](/molmil-images/mine/2e0l) | Mutant Human Ribonuclease 1 (Q28L, R31L, R32L) | Descriptor: | CADMIUM ION, CHLORIDE ION, Ribonuclease | Authors: | Yamada, H, Tamada, T, Kosaka, M, Kuroki, R. | Deposit date: | 2006-10-10 | Release date: | 2007-08-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | 'Crystal lattice engineering,' an approach to engineer protein crystal contacts by creating intermolecular symmetry: crystallization and structure determination of a mutant human RNase 1 with a hydrophobic interface of leucines Protein Sci., 16, 2007
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5AON
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![BU of 5aon by Molmil](/molmil-images/mine/5aon) | Crystal structure of the conserved N-terminal domain of Pex14 from Trypanosoma brucei | Descriptor: | PEROXIN 14, SULFATE ION | Authors: | Obita, T, Sugawara, Y, Mizuguchi, M, Watanabe, Y, Kawaguchi, K, Imanaka, T. | Deposit date: | 2015-09-11 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.646 Å) | Cite: | Characterization of the Interaction between Trypanosoma Brucei Pex5P and its Receptor Pex14P. FEBS Lett., 590, 2016
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3A5P
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![BU of 3a5p by Molmil](/molmil-images/mine/3a5p) | Crystal structure of hemagglutinin | Descriptor: | Haemagglutinin I | Authors: | Watanabe, N, Sakai, N, Nakamura, T, Nabeshima, Y, Kouno, T, Mizuguchi, M, Kawano, K. | Deposit date: | 2009-08-10 | Release date: | 2010-08-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | The Structure of Physarum polycephalum hemagglutinin I suggests a minimal carbohydrate recognition domain of legume lectin fold J.Mol.Biol., 405, 2011
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5S4J
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![BU of 5s4j by Molmil](/molmil-images/mine/5s4j) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF054 | Descriptor: | 6-chlorotetrazolo[1,5-b]pyridazine, Non-structural protein 3 | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | Deposit date: | 2020-11-02 | Release date: | 2021-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.124 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5S4I
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![BU of 5s4i by Molmil](/molmil-images/mine/5s4i) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF051 | Descriptor: | (5S)-1-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione, Non-structural protein 3 | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | Deposit date: | 2020-11-02 | Release date: | 2021-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.131 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5S4H
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![BU of 5s4h by Molmil](/molmil-images/mine/5s4h) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF048 | Descriptor: | 1-carbamoylpiperidine-4-carboxylic acid, Non-structural protein 3 | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | Deposit date: | 2020-11-02 | Release date: | 2021-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.175 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5S4F
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![BU of 5s4f by Molmil](/molmil-images/mine/5s4f) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF003 | Descriptor: | 1,8-naphthyridine, Non-structural protein 3, SULFATE ION | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | Deposit date: | 2020-11-02 | Release date: | 2021-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.131 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5S4G
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![BU of 5s4g by Molmil](/molmil-images/mine/5s4g) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF005 | Descriptor: | Non-structural protein 3, SULFATE ION, [1,2,4]triazolo[4,3-a]pyridin-3-amine | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | Deposit date: | 2020-11-02 | Release date: | 2021-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.172 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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2DQL
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5S20
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![BU of 5s20 by Molmil](/molmil-images/mine/5s20) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with PB1827975385 | Descriptor: | (5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-ol, Non-structural protein 3 | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | Deposit date: | 2020-11-02 | Release date: | 2021-01-13 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.037 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5S2K
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![BU of 5s2k by Molmil](/molmil-images/mine/5s2k) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z445856640 | Descriptor: | N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-methyl-N'-propan-2-ylurea, Non-structural protein 3 | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | Deposit date: | 2020-11-02 | Release date: | 2021-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.097 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5S30
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![BU of 5s30 by Molmil](/molmil-images/mine/5s30) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z65532537 | Descriptor: | (2R)-2-(2-fluorophenoxy)propanoic acid, Non-structural protein 3 | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | Deposit date: | 2020-11-02 | Release date: | 2021-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5S3K
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![BU of 5s3k by Molmil](/molmil-images/mine/5s3k) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z219104216 | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 6-(ethylamino)pyridine-3-carbonitrile, Non-structural protein 3 | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | Deposit date: | 2020-11-02 | Release date: | 2021-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5S46
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![BU of 5s46 by Molmil](/molmil-images/mine/5s46) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z57131035 | Descriptor: | Non-structural protein 3, imidazolidine-2,4-dione | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | Deposit date: | 2020-11-02 | Release date: | 2021-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.191 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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