3ZGY
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8DOX
| Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-245 | 分子名称: | (1R,2S,5S)-N-{(1S,2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | 著者 | Bulut, H, Hayashi, H, Tsuji, K, Kuwata, N, Das, D, Tamamura, H, Mitsuya, H. | 登録日 | 2022-07-14 | 公開日 | 2022-09-21 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Identification of SARS-CoV-2 M pro inhibitors containing P1' 4-fluorobenzothiazole moiety highly active against SARS-CoV-2. Nat Commun, 14, 2023
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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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8E9M
| Crystal structure of E. coli aspartate aminotransferase mutant VFIT 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 (1.76 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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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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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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4AO1
| High resolution crystal structure of bovine pancreatic ribonuclease crystallized using ionic liquid | 分子名称: | CHLORIDE ION, RIBONUCLEASE PANCREATIC, SULFATE ION | 著者 | Mukhopadhyay, A, Carvalho, A.L, Kowacz, M, Romao, M.J. | 登録日 | 2012-03-23 | 公開日 | 2012-07-18 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Hofmeister Effects of Ionic Liquids in Protein Crystallization: Direct and Water-Mediated Interactions Cryst.Eng.Comm., 14, 2012
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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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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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8GOU
| Omicron BA.4/5 SARS-CoV-2 S in complex with TH003 Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH003 Fab heavy chain, ... | 著者 | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | 登録日 | 2022-08-25 | 公開日 | 2023-06-28 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
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8E9S
| Crystal structure of E. coli aspartate aminotransferase mutant VFCS 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 (2 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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8E9K
| Crystal structure of wild-type E. coli aspartate aminotransferase bound to maleate 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 (1.83 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
| 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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8GPY
| Crystal structure of Omicron BA.4/5 RBD in complex with a neutralizing antibody scFv | 分子名称: | Spike protein S1, scFv | 著者 | Gao, Y.X, Song, Z.D, Wang, W.M, Guo, Y. | 登録日 | 2022-08-27 | 公開日 | 2023-06-28 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
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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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6U7O
| HIV-1 wild type protease with GRL-00819A, with phenyl-boronic-acid as P2'-ligand and with a 6-5-5-ring fused crown-like tetrahydropyranofuran as the P2-ligand | 分子名称: | CHLORIDE ION, FORMIC ACID, GLYCEROL, ... | 著者 | Wang, Y.-F, Kneller, D.W, Weber, I.T. | 登録日 | 2019-09-03 | 公開日 | 2019-10-09 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Potent HIV-1 Protease Inhibitors Containing Carboxylic and Boronic Acids: Effect on Enzyme Inhibition and Antiviral Activity and Protein-Ligand X-ray Structural Studies. Chemmedchem, 14, 2019
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2LWG
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2LWH
| NMR Structure of the Self-Complementary 10 mer DNA Duplex 5'-GGATATATCC-3' in Complex with Netropsin | 分子名称: | DNA (5'-D(*GP*GP*AP*TP*AP*TP*AP*TP*CP*C)-3'), NETROPSIN | 著者 | Rettig, M, Germann, M.W, Wilson, W, Wang, S. | 登録日 | 2012-07-31 | 公開日 | 2013-01-23 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Molecular basis for sequence-dependent induced DNA bending. Chembiochem, 14, 2013
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8GSD
| Echovirus3 full particle in complex with 6D10 Fab | 分子名称: | Genome polyprotein, Genome polyprotein (Fragment), Heavy chain of 6D10, ... | 著者 | Wang, X, Fu, W. | 登録日 | 2022-09-06 | 公開日 | 2022-12-14 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Structural Basis for the Immunogenicity of the C-Terminus of VP1 of Echovirus 3 Revealed by the Binding of a Neutralizing Antibody. Viruses, 14, 2022
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8GSF
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8GSC
| Echovirus3 A-particle in complex with 6D10 Fab | 分子名称: | Heavy chain of 6D10, Light chain of 6D10, VP1, ... | 著者 | Wang, X, Fu, W. | 登録日 | 2022-09-06 | 公開日 | 2022-12-14 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Structural Basis for the Immunogenicity of the C-Terminus of VP1 of Echovirus 3 Revealed by the Binding of a Neutralizing Antibody. Viruses, 14, 2022
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8GSE
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8E7O
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6U7P
| HIV-1 wild type protease with GRL-03119A, with phenyl-boronic-acid as P2'-ligand and with a hexahydro-4H-furo-pyran as the P2-ligand | 分子名称: | CHLORIDE ION, FORMIC ACID, GLYCEROL, ... | 著者 | Wang, Y.-F, Kneller, D.W, Weber, I.T. | 登録日 | 2019-09-03 | 公開日 | 2019-10-09 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | 主引用文献 | Potent HIV-1 Protease Inhibitors Containing Carboxylic and Boronic Acids: Effect on Enzyme Inhibition and Antiviral Activity and Protein-Ligand X-ray Structural Studies. Chemmedchem, 14, 2019
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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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