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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5RFP
| PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102190 | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(1S)-1-(3-chlorophenyl)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 (2.03 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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1SGU
| Comparing the Accumulation of Active Site and Non-active Site Mutations in the HIV-1 Protease | 分子名称: | N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, POL polyprotein | 著者 | Clemente, J.C, Moose, R.E, Hemrajani, R, Govindasamy, L, Reutzel, R, Mckenna, R, Abandje-McKenna, M, Goodenow, M.M, Dunn, B.M. | 登録日 | 2004-02-24 | 公開日 | 2004-10-05 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Comparing the Accumulation of Active- and Nonactive-Site Mutations in the HIV-1 Protease. Biochemistry, 43, 2004
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5RGQ
| PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1849009686 (Mpro-x1086) | 分子名称: | 1-(4-fluoro-2-methylphenyl)methanesulfonamide, 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 | 2020-04-07 | 公開日 | 2020-04-15 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.15 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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7FAN
| Co-crystal Structure of Toxoplasma gondii Prolyl tRNA Synthetase (TgPRS) in complex with T35 and L-pro | 分子名称: | 4-[(3S)-3-cyano-3-(1-methylcyclopropyl)-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide, PROLINE, Prolyl-tRNA synthetase (ProRS) | 著者 | Mishra, S, Malhotra, N, Yogavel, M, Sharma, A. | 登録日 | 2021-07-06 | 公開日 | 2022-09-28 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.769 Å) | 主引用文献 | Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis. Plos Pathog., 19, 2023
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7FAM
| Co-crystal Structure of Toxoplasma gondii Prolyl tRNA Synthetase (TgPRS) in complex with L97 and L-pro | 分子名称: | 4-[(3S)-3-cyclopropyl-3-(hydroxymethyl)-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide, PROLINE, Prolyl-tRNA synthetase (ProRS) | 著者 | Mishra, S, Malhotra, N, Yogavel, M, Sharma, A. | 登録日 | 2021-07-06 | 公開日 | 2022-09-28 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | 主引用文献 | Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis. Plos Pathog., 19, 2023
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4AA9
| Camel chymosin at 1.6A resolution | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHYMOSIN, GLYCEROL, ... | 著者 | Langholm Jensen, J, Molgaard, A, Navarro Poulsen, J.C, van den Brink, J.M, Harboe, M, Simonsen, J.B, Qvist, K.B, Larsen, S. | 登録日 | 2011-11-30 | 公開日 | 2012-12-12 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Camel and Bovine Chymosin: The Relationship between Their Structures and Cheese-Making Properties. Acta Crystallogr.,Sect.D, 69, 2013
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7MDX
| LolCDE nucleotide-free | 分子名称: | (2R)-2-(tridecanoyloxy)propyl hexadecanoate, Lipoprotein-releasing system ATP-binding protein LolD, Lipoprotein-releasing system transmembrane protein LolC, ... | 著者 | Sharma, S, Liao, M. | 登録日 | 2021-04-06 | 公開日 | 2021-08-11 | 最終更新日 | 2024-04-17 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Mechanism of LolCDE as a molecular extruder of bacterial triacylated lipoproteins Nat Commun, 12, 2021
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259D
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7MRW
| Native RhopH complex of the malaria parasite Plasmodium falciparum | 分子名称: | Cytoadherence linked asexual protein 3.1, High molecular weight rhoptry protein 2, High molecular weight rhoptry protein 3 | 著者 | Ho, C.M, Jih, J, Lai, M, Li, X.R, Goldberg, D.E, Beck, J.R, Zhou, Z.H. | 登録日 | 2021-05-10 | 公開日 | 2021-09-15 | 実験手法 | ELECTRON MICROSCOPY (3.72 Å) | 主引用文献 | Native structure of the RhopH complex, a key determinant of malaria parasite nutrient acquisition. Proc.Natl.Acad.Sci.USA, 118, 2021
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7FGG
| Cryo-EM Structure of Chikungunya Virus Nonstructural Protein 1 with m7GTP | 分子名称: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, S-ADENOSYL-L-HOMOCYSTEINE, ... | 著者 | Zhang, K, Law, M.C.Y, Nguyen, T.M, Tan, Y.B, Wirawan, M, Law, Y.S, Luo, D.H. | 登録日 | 2021-07-27 | 公開日 | 2022-07-27 | 最終更新日 | 2024-06-12 | 実験手法 | ELECTRON MICROSCOPY (2.19 Å) | 主引用文献 | Molecular basis of specific viral RNA recognition and 5'-end capping by the Chikungunya virus nsP1. Cell Rep, 40, 2022
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7FGH
| Cryo-EM Structure of Chikungunya Virus Nonstructural Protein 1 with m7GMP | 分子名称: | N7-METHYL-GUANOSINE-5'-MONOPHOSPHATE, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION, ... | 著者 | Zhang, K, Law, M.C.Y, Nguyen, T.M, Tan, Y.B, Wirawan, M, Law, Y.S, Luo, D.H. | 登録日 | 2021-07-27 | 公開日 | 2022-07-27 | 最終更新日 | 2022-08-10 | 実験手法 | ELECTRON MICROSCOPY (2.18 Å) | 主引用文献 | Molecular basis of specific viral RNA recognition and 5'-end capping by the Chikungunya virus nsP1. Cell Rep, 40, 2022
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7FGI
| Cryo-EM Structure of Chikungunya Virus Nonstructural Protein 1 with m7Gppp-AU | 分子名称: | MAGNESIUM ION, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION, ... | 著者 | Zhang, K, Law, M.C.Y, Nguyen, T.M, Tan, Y.B, Wirawan, M, Law, Y.S, Luo, D.H. | 登録日 | 2021-07-27 | 公開日 | 2022-07-27 | 最終更新日 | 2024-06-05 | 実験手法 | ELECTRON MICROSCOPY (2.51 Å) | 主引用文献 | Molecular basis of specific viral RNA recognition and 5'-end capping by the Chikungunya virus nsP1. Cell Rep, 40, 2022
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7FH5
| Structure of AdaV | 分子名称: | AdaV, CHLORIDE ION, FE (III) ION | 著者 | Zhang, Z.Y, Chen, W.Q, Zhai, G.Q, Zhang, M. | 登録日 | 2021-07-29 | 公開日 | 2022-08-03 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural Insight into the Catalytic Mechanism of Non-Heme Iron Halogenase AdaV in 2'-Chloropentostatin Biosynthesis Acs Catalysis, 12, 2022
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5REE
| PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2217052426 | 分子名称: | (2R,3R)-1-benzyl-2-methylpiperidin-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 (1.77 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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5REU
| PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102395 | 分子名称: | 2-[(4-acetylpiperazin-1-yl)sulfonyl]benzonitrile, 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 (1.69 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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5RFA
| PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2643472210 | 分子名称: | 1-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1H-pyrazole-3-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 (1.52 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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7KW3
| Non Ribosomal PCP domain | 分子名称: | PCP domain, SULFATE ION | 著者 | Izore, T, Ho, Y.T.C, Kaczmarski, J.A, Gavriilidou, A, Chow, K.H, Steer, D, Goode, R.J.A, Schittenhelm, R.B, Tailhades, J, Tosin, M, Challis, G.L, Krenske, E.H, Ziemert, N, Jackson, C.J, Cryle, M.J. | 登録日 | 2020-11-29 | 公開日 | 2021-03-24 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structures of a non-ribosomal peptide synthetase condensation domain suggest the basis of substrate selectivity. Nat Commun, 12, 2021
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3UGC
| Structural basis of Jak2 inhibition by the type II inhibtor NVP-BBT594 | 分子名称: | 5-{[6-(acetylamino)pyrimidin-4-yl]oxy}-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-2,3-dihydro-1H-indole-1-carboxamide, MALONATE ION, Tyrosine-protein kinase JAK2 | 著者 | Scheufler, C, Tavares, G.A, Manley, P.W, Pissot-Soldermann, C, Kroemer, M. | 登録日 | 2011-11-02 | 公開日 | 2012-05-16 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | Modulation of activation-loop phosphorylation by JAK inhibitors is binding mode dependent. Cancer Discov, 2, 2012
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7KW0
| Non-ribosomal didomain (stabilised glycine-PCP-C) acceptor bound state | 分子名称: | N-{2-[(2-aminoethyl)sulfanyl]ethyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, PCP-C didomain | 著者 | Izore, T, Ho, Y.T.C, Kaczmarski, J.A, Gavriilidou, A, Chow, K.H, Steer, D, Goode, R.J.A, Schittenhelm, R.B, Tailhades, J, Tosin, M, Challis, G.L, Krenske, E.H, Ziemert, N, Jackson, C.J, Cryle, M.J. | 登録日 | 2020-11-29 | 公開日 | 2021-03-24 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structures of a non-ribosomal peptide synthetase condensation domain suggest the basis of substrate selectivity. Nat Commun, 12, 2021
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7KVW
| Non-ribosomal didomain (holo-PCP-C) acceptor bound state | 分子名称: | 4'-PHOSPHOPANTETHEINE, PCP-C didomain | 著者 | Izore, T, Ho, Y.T.C, Kaczmarski, J.A, Gavriilidou, A, Chow, K.H, Steer, D, Goode, R.J.A, Schittenhelm, R.B, Tailhades, J, Tosin, M, Challis, G.L, Krenske, E.H, Ziemert, N, Jackson, C.J, Cryle, M.J. | 登録日 | 2020-11-29 | 公開日 | 2021-03-24 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Structures of a non-ribosomal peptide synthetase condensation domain suggest the basis of substrate selectivity. Nat Commun, 12, 2021
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7KW2
| Non-ribosomal didomain (holo-PCP-C) acceptor bound state, R2577G | 分子名称: | 4'-PHOSPHOPANTETHEINE, PCP-C didomain | 著者 | Izore, T, Ho, Y.T.C, Kaczmarski, J.A, Gavriilidou, A, Chow, K.H, Steer, D, Goode, R.J.A, Schittenhelm, R.B, Tailhades, J, Tosin, M, Challis, G.L, Krenske, E.H, Ziemert, N, Jackson, C.J, Cryle, M.J. | 登録日 | 2020-11-29 | 公開日 | 2021-03-24 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structures of a non-ribosomal peptide synthetase condensation domain suggest the basis of substrate selectivity. Nat Commun, 12, 2021
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7L15
| Marsupial T cell receptor Spl_118 | 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, T cell receptor gamma chain, ... | 著者 | Wegrecki, M, Kannan Sivaraman, K, Praveena, T, Le Nours, J, Rossjohn, J. | 登録日 | 2020-12-14 | 公開日 | 2021-03-24 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | The molecular assembly of the marsupial gamma mu T cell receptor defines a third T cell lineage. Science, 371, 2021
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7KYW
| Crystal structure of timothy grass allergen Phl p 12.0101 reveals an unusual profilin dimer | 分子名称: | CITRIC ACID, Profilin-1 | 著者 | O'Malley, A, Kapingidza, A.B, Hyduke, N, Dolamore, C, Chruszcz, M. | 登録日 | 2020-12-09 | 公開日 | 2021-03-31 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structure of timothy grass allergen Phl p 12.0101 reveals an unusual profilin dimer. Acta Biochim.Pol., 68, 2021
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7L57
| Cryo-EM structure of the SARS-CoV-2 spike glycoprotein bound to Fab 2-15 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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 | Rapp, M, Shapiro, L. | 登録日 | 2020-12-21 | 公開日 | 2021-04-14 | 最終更新日 | 2021-04-21 | 実験手法 | ELECTRON MICROSCOPY (5.87 Å) | 主引用文献 | Modular basis for potent SARS-CoV-2 neutralization by a prevalent VH1-2-derived antibody class. Cell Rep, 35, 2021
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