8TPB
| Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease | 分子名称: | N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)-2-chloroacetamide, Non-structural protein 7 | 著者 | Chua, T.K, Song, Y. | 登録日 | 2023-08-04 | 公開日 | 2024-01-24 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease. Acs Infect Dis., 10, 2024
|
|
8TPI
| Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease | 分子名称: | N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-2-hydroxy-2-methylpropanamide, Non-structural protein 7 | 著者 | Chua, T.K, Song, Y. | 登録日 | 2023-08-04 | 公開日 | 2024-01-24 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease. Acs Infect Dis., 10, 2024
|
|
8TPE
| Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease | 分子名称: | N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)-3-hydroxypropanamide, Non-structural protein 7 | 著者 | Chua, T.K, Song, Y. | 登録日 | 2023-08-04 | 公開日 | 2024-01-24 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease. Acs Infect Dis., 10, 2024
|
|
8TPH
| Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease | 分子名称: | (3R)-N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-3-hydroxybutanamide, Non-structural protein 7 | 著者 | Chua, T.K, Song, Y. | 登録日 | 2023-08-04 | 公開日 | 2024-01-24 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease. Acs Infect Dis., 10, 2024
|
|
8TPD
| Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease | 分子名称: | 3C-like proteinase nsp5, N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-[3-(2-chloroacetamido)phenyl]furan-2-carboxamide | 著者 | Chua, T.K, Song, Y. | 登録日 | 2023-08-04 | 公開日 | 2024-01-24 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease. Acs Infect Dis., 10, 2024
|
|
8TPC
| Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease | 分子名称: | N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-[4-(2-chloroacetamido)phenyl]furan-2-carboxamide, Non-structural protein 7 | 著者 | Chua, T.K, Song, Y. | 登録日 | 2023-08-04 | 公開日 | 2024-01-24 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease. Acs Infect Dis., 10, 2024
|
|
5VBL
| Structure of apelin receptor in complex with agonist peptide | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Apelin receptor,Rubredoxin,Apelin receptor Chimera, ZINC ION, ... | 著者 | Ma, Y, Yue, Y, Ma, Y, Zhang, Q, Zhou, Q, Song, Y, Shen, Y, Li, X, Ma, X, Li, C, Hanson, M.A, Han, G.W, Sickmier, E.A, Swaminath, G, Zhao, S, Stevems, R.C, Hu, L.A, Zhong, W, Zhang, M, Xu, F. | 登録日 | 2017-03-29 | 公開日 | 2017-05-31 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural Basis for Apelin Control of the Human Apelin Receptor Structure, 25, 2017
|
|
4YLY
| Crystal structure of peptidyl-tRNA hydrolase from a Gram-positive bacterium, staphylococcus aureus at 2.25 angstrom resolution | 分子名称: | GLYCEROL, Peptidyl-tRNA hydrolase | 著者 | Zhang, F, Song, Y, Li, X, Teng, M.K. | 登録日 | 2015-03-06 | 公開日 | 2016-01-27 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Crystal structure of Staphylococcus aureus peptidyl-tRNA hydrolase at a 2.25 angstrom resolution. Acta Biochim.Biophys.Sin., 47, 2015
|
|
4GAE
| Crystal structure of plasmodium dxr in complex with a pyridine-containing inhibitor | 分子名称: | 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, ... | 著者 | Diao, J, Xue, J, Cai, G, Deng, L, Song, Y. | 登録日 | 2012-07-25 | 公開日 | 2013-02-06 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Antimalarial and Structural Studies of Pyridine-containing Inhibitors of 1-Deoxyxylulose-5-phosphate Reductoisomerase. ACS Med Chem Lett, 4, 2013
|
|
6KNM
| Apelin receptor in complex with single domain antibody | 分子名称: | Apelin receptor,Rubredoxin,Apelin receptor, Single domain antibody JN241, ZINC ION | 著者 | Ma, Y.B, Ding, Y, Song, X, Ma, X, Li, X, Zhang, N, Song, Y, Sun, Y, Shen, Y, Zhong, W, Hu, L.A, Ma, Y.L, Zhang, M.Y. | 登録日 | 2019-08-06 | 公開日 | 2020-01-29 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Structure-guided discovery of a single-domain antibody agonist against human apelin receptor. Sci Adv, 6, 2020
|
|
8DH6
| Cryo-EM structure of Saccharomyces cerevisiae cytochrome c oxidase (Complex IV) extracted in lipid nanodiscs | 分子名称: | CALCIUM ION, COPPER (II) ION, Cytochrome c oxidase subunit 1, ... | 著者 | Godoy, A.S, Song, Y, Cheruvara, H, Quigley, A, Oliva, G. | 登録日 | 2022-06-25 | 公開日 | 2022-07-20 | 最終更新日 | 2024-02-14 | 実験手法 | ELECTRON MICROSCOPY (2.94 Å) | 主引用文献 | Cryo-EM structure of Saccharomyces cerevisiae cytochrome c oxidase (Complex IV) extracted in lipid nanodiscs To Be Published
|
|
8DH7
| |
8EY2
| Cryo-EM structure of SARS-CoV-2 Main protease C145S in complex with N-terminal peptide | 分子名称: | 3C-like proteinase | 著者 | Noske, G.D, Song, Y, Fernandes, R.S, Oliva, G, Godoy, A.S. | 登録日 | 2022-10-26 | 公開日 | 2022-12-07 | 最終更新日 | 2024-05-01 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | An in-solution snapshot of SARS-COV-2 main protease maturation process and inhibition. Nat Commun, 14, 2023
|
|
7RB0
| Cryo-EM structure of SARS-CoV-2 NSP15 NendoU at pH 7.5 | 分子名称: | Uridylate-specific endoribonuclease | 著者 | Godoy, A.S, Song, Y, Nakamura, A.M, Noske, G.D, Gawriljuk, V.O, Fernandes, R.S, Oliva, G. | 登録日 | 2021-07-05 | 公開日 | 2021-07-14 | 最終更新日 | 2023-06-21 | 実験手法 | ELECTRON MICROSCOPY (2.98 Å) | 主引用文献 | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease. Nucleic Acids Res., 51, 2023
|
|
7RB2
| Cryo-EM structure of SARS-CoV-2 NSP15 NendoU in BIS-Tris pH 6.0 | 分子名称: | Uridylate-specific endoribonuclease | 著者 | Godoy, A.S, Song, Y, Nakamura, A.M, Noske, G.D, Gawriljuk, V.O, Fernandes, R.S, Oliva, G. | 登録日 | 2021-07-05 | 公開日 | 2021-07-14 | 最終更新日 | 2023-06-21 | 実験手法 | ELECTRON MICROSCOPY (3.27 Å) | 主引用文献 | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease. Nucleic Acids Res., 51, 2023
|
|
7S82
| |
3SR4
| Crystal Structure of Human DOT1L in Complex with a Selective Inhibitor | 分子名称: | (2S)-2-azanyl-4-[[(2S,3S,4R,5R)-5-[6-(methylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, ACETATE ION, GLYCEROL, ... | 著者 | Diao, J, Chen, P, Yao, Y, Prasad, B.V.V, Song, Y. | 登録日 | 2011-07-06 | 公開日 | 2011-10-05 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Selective Inhibitors of Histone Methyltransferase DOT1L: Design, Synthesis, and Crystallographic Studies. J.Am.Chem.Soc., 133, 2011
|
|
7ME0
| Cryo-EM structure of SARS-CoV-2 NSP15 NendoU at pH 6.0 | 分子名称: | Uridylate-specific endoribonuclease | 著者 | Godoy, A.S, Song, Y, Nakamura, A.M, Noske, G.D, Gawriljuk, V.O, Fernandes, R.S, Oliva, G. | 登録日 | 2021-04-06 | 公開日 | 2021-04-14 | 最終更新日 | 2023-05-10 | 実験手法 | ELECTRON MICROSCOPY (2.48 Å) | 主引用文献 | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease. Nucleic Acids Res., 2023
|
|
3RAS
| Crystal structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR) complexed with a lipophilic phosphonate inhibitor | 分子名称: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-(N-HYDROXYACETAMIDO)-1-(3,4-DICHLOROPHENYL)PROPYLPHOSPHONIC ACID, MANGANESE (II) ION, ... | 著者 | Diao, J, Deng, L, Prasad, B.V.V, Song, Y. | 登録日 | 2011-03-28 | 公開日 | 2011-05-25 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Inhibition of 1-deoxy-D-xylulose-5-phosphate reductoisomerase by lipophilic phosphonates: SAR, QSAR, and crystallographic studies. J.Med.Chem., 54, 2011
|
|
4I3K
| Crystal structure of a metabolic reductase with 1-hydroxy-6-(4-hydroxybenzyl)-4-methylpyridin-2(1H)-one | 分子名称: | 1-hydroxy-6-(4-hydroxybenzyl)-4-methylpyridin-2(1H)-one, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Zheng, B, Yao, Y, Liu, Z, Deng, L, Anglin, J.L, Jiang, H, Prasad, B.V.V, Song, Y. | 登録日 | 2012-11-26 | 公開日 | 2013-05-22 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.3056 Å) | 主引用文献 | Crystallographic Investigation and Selective Inhibition of Mutant Isocitrate Dehydrogenase. ACS Med Chem Lett, 4, 2013
|
|
4I3L
| Crystal structure of a metabolic reductase with 6-benzyl-1-hydroxy-4-methylpyridin-2(1H)-one | 分子名称: | 6-benzyl-1-hydroxy-4-methylpyridin-2(1H)-one, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Zheng, B, Yao, Y, Liu, Z, Deng, L, Anglin, J.L, Jiang, H, Prasad, B.V.V, Song, Y. | 登録日 | 2012-11-26 | 公開日 | 2013-05-22 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.292 Å) | 主引用文献 | Crystallographic Investigation and Selective Inhibition of Mutant Isocitrate Dehydrogenase. ACS Med Chem Lett, 4, 2013
|
|
3ANN
| Crystal structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR) complexed with quinolin-2-ylmethylphosphonic acid | 分子名称: | (quinolin-2-ylmethyl)phosphonic acid, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Endo, K, Kato, M, Deng, L, Song, Y, Yajima, S. | 登録日 | 2010-09-03 | 公開日 | 2011-02-23 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structures of 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase/Lipophilic Phosphonate Complexes ACS Med Chem Lett, 2, 2011
|
|
3ANM
| Crystal structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR) complexed with 5-phenylpyridin-2-ylmethylphosphonic acid | 分子名称: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [(5-phenylpyridin-2-yl)methyl]phosphonic acid | 著者 | Endo, K, Kato, M, Deng, L, Song, Y, Yajima, S. | 登録日 | 2010-09-03 | 公開日 | 2011-02-23 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structures of 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase/Lipophilic Phosphonate Complexes ACS Med Chem Lett, 2, 2011
|
|
3ANL
| Crystal structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR) complexed with pyridin-2-ylmethylphosphonic acid | 分子名称: | (pyridin-2-ylmethyl)phosphonic acid, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Endo, K, Kato, M, Deng, L, Song, Y, Yajima, S. | 登録日 | 2010-09-03 | 公開日 | 2011-02-23 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structures of 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase/Lipophilic Phosphonate Complexes ACS Med Chem Lett, 2, 2011
|
|
4S0J
| Biphenylalanine modified threonyl-tRNA synthetase from Pyrococcus abyssi: 11BIF, 42F, 79S, and 123V mutant | 分子名称: | Threonine--tRNA ligase | 著者 | Pearson, A.D, Mills, J.H, Song, Y, Nasertorabi, F, Han, G.W, Baker, D, Stevens, R.C, Schultz, P.G. | 登録日 | 2014-12-31 | 公開日 | 2015-03-18 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Transition states. Trapping a transition state in a computationally designed protein bottle. Science, 347, 2015
|
|