8E9R
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![BU of 8e9r by Molmil](/molmil-images/mine/8e9r) | Crystal structure of E. coli aspartate aminotransferase mutant VFCS in the ligand-free form at 278 K | 分子名称: | Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | 著者 | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | 登録日 | 2022-08-26 | 公開日 | 2022-10-05 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity. Nat Commun, 14, 2023
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8E9V
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![BU of 8e9v by Molmil](/molmil-images/mine/8e9v) | Crystal structure of E. coli aspartate aminotransferase mutant VFIT in the ligand-free form at 303 K | 分子名称: | Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | 著者 | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | 登録日 | 2022-08-26 | 公開日 | 2022-10-05 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity. Nat Commun, 14, 2023
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8E9T
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![BU of 8e9t by Molmil](/molmil-images/mine/8e9t) | Crystal structure of wild-type E. coli aspartate aminotransferase in the ligand-free form at 303 K | 分子名称: | Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | 著者 | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | 登録日 | 2022-08-26 | 公開日 | 2022-10-05 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity. Nat Commun, 14, 2023
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8E9N
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![BU of 8e9n by Molmil](/molmil-images/mine/8e9n) | Crystal structure of E. coli aspartate aminotransferase mutant VFIY in the ligand-free form at 278 K | 分子名称: | Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | 著者 | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | 登録日 | 2022-08-26 | 公開日 | 2022-10-05 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity. Nat Commun, 14, 2023
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8E9L
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![BU of 8e9l by Molmil](/molmil-images/mine/8e9l) | Crystal structure of E. coli aspartate aminotransferase mutant VFIT in the ligand-free form at 278 K | 分子名称: | Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | 著者 | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | 登録日 | 2022-08-26 | 公開日 | 2022-10-05 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity. Nat Commun, 14, 2023
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8E9Q
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![BU of 8e9q by Molmil](/molmil-images/mine/8e9q) | Crystal structure of E. coli aspartate aminotransferase mutant HEX bound to maleic acid at 278 K | 分子名称: | Aspartate aminotransferase, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE | 著者 | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | 登録日 | 2022-08-26 | 公開日 | 2022-10-05 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity. Nat Commun, 14, 2023
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8E9O
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![BU of 8e9o by Molmil](/molmil-images/mine/8e9o) | Crystal structure of E. coli aspartate aminotransferase mutant VFIY bound to maleic acid at 278 K | 分子名称: | Aspartate aminotransferase, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE | 著者 | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | 登録日 | 2022-08-26 | 公開日 | 2022-10-05 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity. Nat Commun, 14, 2023
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8E9D
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![BU of 8e9d by Molmil](/molmil-images/mine/8e9d) | Crystal structure of E. coli aspartate aminotransferase mutant AIFS bound to maleic acid at 100 K | 分子名称: | Aspartate aminotransferase, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE | 著者 | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | 登録日 | 2022-08-26 | 公開日 | 2022-11-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity. Nat Commun, 14, 2023
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8E9J
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![BU of 8e9j by Molmil](/molmil-images/mine/8e9j) | Crystal structure of E. coli aspartate aminotransferase mutant HEX in the ligand-free form at 278 K | 分子名称: | Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | 著者 | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | 登録日 | 2022-08-26 | 公開日 | 2022-11-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity. Nat Commun, 14, 2023
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8E9U
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![BU of 8e9u by Molmil](/molmil-images/mine/8e9u) | Crystal structure of E. coli aspartate aminotransferase mutant HEX in the ligand-free form at 303 K | 分子名称: | Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | 著者 | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | 登録日 | 2022-08-26 | 公開日 | 2022-11-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity. Nat Commun, 14, 2023
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8E9C
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![BU of 8e9c by Molmil](/molmil-images/mine/8e9c) | Crystal structure of E. coli aspartate aminotransferase mutant AIFS in the ligand-free form at 100 K | 分子名称: | Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | 著者 | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | 登録日 | 2022-08-26 | 公開日 | 2022-11-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity. Nat Commun, 14, 2023
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8E9P
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![BU of 8e9p by Molmil](/molmil-images/mine/8e9p) | Crystal structure of wild-type E. coli aspartate aminotransferase in the ligand-free form at 278 K | 分子名称: | Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | 著者 | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | 登録日 | 2022-08-26 | 公開日 | 2022-11-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity. Nat Commun, 14, 2023
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2ONX
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![BU of 2onx by Molmil](/molmil-images/mine/2onx) | NNQQ peptide corresponding to residues 8-11 of yeast prion sup35 (alternate crystal form) | 分子名称: | peptide corresponding to residues 8-11 of yeast prion sup35 | 著者 | Sawaya, M.R, Sambashivan, S, Nelson, R, Ivanova, M, Sievers, S.A, Apostol, M.I, Thompson, M.J, Balbirnie, M, Wiltzius, J.J, McFarlane, H, Madsen, A.O, Riekel, C, Eisenberg, D. | 登録日 | 2007-01-24 | 公開日 | 2007-02-06 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Atomic structures of amyloid cross-beta spines reveal varied steric zippers. Nature, 447, 2007
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8E7R
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![BU of 8e7r by Molmil](/molmil-images/mine/8e7r) | Crystal Structure of FosB from Bacillus cereus with Zinc and Phosphonoacetate | 分子名称: | FORMIC ACID, MAGNESIUM ION, Metallothiol transferase FosB, ... | 著者 | Travis, S, Tsodikov, O.V, Garneau-Tsodikova, S, Thompson, M.K. | 登録日 | 2022-08-24 | 公開日 | 2023-06-14 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.975 Å) | 主引用文献 | Identification and analysis of small molecule inhibitors of FosB from Staphylococcus aureus. Rsc Med Chem, 14, 2023
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6UAD
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![BU of 6uad by Molmil](/molmil-images/mine/6uad) | Ketosteroid isomerase (C. testosteroni) with truncated & designed loop for precise positioning of a catalytic E38 | 分子名称: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, Ketosteroid isomerase with truncated and designed loop, PHOSPHATE ION | 著者 | Kundert, K, Thompson, M.C, Liu, L, Fraser, J.S, Kortemme, T. | 登録日 | 2019-09-10 | 公開日 | 2020-09-16 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Ketosteroid isomerase (C. testosteroni) with truncated & designed loop for precise positioning of a catalytic E38 To Be Published
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5TOG
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![BU of 5tog by Molmil](/molmil-images/mine/5tog) | Room temperature structure of ubiquitin variant u7ub25.2540 | 分子名称: | Polyubiquitin-B, SULFATE ION | 著者 | Biel, J.T, Thompson, M.C, Cunningham, C.N, Corn, J.E, Fraser, J.S. | 登録日 | 2016-10-17 | 公開日 | 2017-05-24 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | 主引用文献 | Flexibility and Design: Conformational Heterogeneity along the Evolutionary Trajectory of a Redesigned Ubiquitin. Structure, 25, 2017
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5TOF
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![BU of 5tof by Molmil](/molmil-images/mine/5tof) | Room temperature structure of ubiquitin variant u7ub25 | 分子名称: | Polyubiquitin-B, SULFATE ION | 著者 | Biel, J.T, Thompson, M.C, Cunningham, C.N, Corn, J.E, Fraser, J.S. | 登録日 | 2016-10-17 | 公開日 | 2017-05-24 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | 主引用文献 | Flexibility and Design: Conformational Heterogeneity along the Evolutionary Trajectory of a Redesigned Ubiquitin. Structure, 25, 2017
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8E7Q
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![BU of 8e7q by Molmil](/molmil-images/mine/8e7q) | Crystal Structure of FosB from Bacillus cereus with Zinc and 2-Phosphonopropionic acid | 分子名称: | (2S)-2-phosphonopropanoic acid, FORMIC ACID, MAGNESIUM ION, ... | 著者 | Travis, S, Tsodikov, O.V, Garneau-Tsodikova, S, Thompson, M.K. | 登録日 | 2022-08-24 | 公開日 | 2023-06-14 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Identification and analysis of small molecule inhibitors of FosB from Staphylococcus aureus. Rsc Med Chem, 14, 2023
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8DTD
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![BU of 8dtd by Molmil](/molmil-images/mine/8dtd) | |
8E11
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![BU of 8e11 by Molmil](/molmil-images/mine/8e11) | |
5RSG
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![BU of 5rsg by Molmil](/molmil-images/mine/5rsg) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000263392672 | 分子名称: | N-methyl-N-7H-pyrrolo[2,3-d]pyrimidin-4-yl-beta-alanine, Non-structural protein 3 | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-09-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | 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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5RSV
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![BU of 5rsv by Molmil](/molmil-images/mine/5rsv) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000340465 | 分子名称: | 4-[(METHYLSULFONYL)AMINO]BENZOIC ACID, Non-structural protein 3 | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-09-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | 主引用文献 | 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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5RTC
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![BU of 5rtc by Molmil](/molmil-images/mine/5rtc) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000006490906 | 分子名称: | 1H-benzimidazole-2-sulfonamide, Non-structural protein 3 | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-09-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | 主引用文献 | 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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5RSH
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![BU of 5rsh by Molmil](/molmil-images/mine/5rsh) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000274438208 | 分子名称: | 4-(5-azaspiro[2.5]octan-5-yl)-7H-pyrrolo[2,3-d]pyrimidine, Non-structural protein 3 | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-09-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | 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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5RTR
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![BU of 5rtr by Molmil](/molmil-images/mine/5rtr) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000018169763 | 分子名称: | Non-structural protein 3, SALICYLHYDROXAMIC ACID | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-09-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | 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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