7GRE
| Crystal structure of SARS-CoV-2 main protease in complex with cpd-1 | 分子名称: | 3C-like proteinase nsp5, 4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]pyridine, CHLORIDE ION, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.M. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
|
|
7W21
| |
7GRQ
| Crystal structure of SARS-CoV-2 main protease in complex with cpd-13 | 分子名称: | 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
|
|
7GRM
| Crystal structure of SARS-CoV-2 main protease in complex with cpd-9 | 分子名称: | 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
|
|
7MJI
| Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain bound to VH ab8 (focused refinement of RBD and VH ab8) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, VH ab8 | 著者 | Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S. | 登録日 | 2021-04-20 | 公開日 | 2021-05-12 | 実験手法 | ELECTRON MICROSCOPY (2.81 Å) | 主引用文献 | Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies. Plos Biol., 19, 2021
|
|
7GRN
| Crystal structure of SARS-CoV-2 main protease in complex with cpd-10 | 分子名称: | 2-[(3S)-pyrrolidin-3-yl]-5-(trifluoromethyl)-1H-benzimidazole, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
|
|
7GRV
| Crystal structure of SARS-CoV-2 main protease in complex with cpd-18 | 分子名称: | (2S)-2-(2-fluorophenyl)-1,3-thiazolidin-4-one, 3C-like proteinase nsp5, CHLORIDE ION, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
|
|
7VYZ
| |
7GRS
| Crystal structure of SARS-CoV-2 main protease in complex with cpd-15 | 分子名称: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, SODIUM ION, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
|
|
7GS1
| Crystal structure of SARS-CoV-2 main protease in complex with cpd-24 | 分子名称: | 2-cyano-~{N}-cyclohexyl-ethanamide, 3C-like proteinase nsp5, CHLORIDE ION, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
|
|
7WPO
| Structure of NeoCOV RBD binding to Bat37 ACE2 | 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Cao, L, Wang, X, Tortorici, M.A, Veesler, D. | 登録日 | 2022-01-24 | 公開日 | 2022-11-30 | 最終更新日 | 2023-03-15 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Close relatives of MERS-CoV in bats use ACE2 as their functional receptors. Nature, 612, 2022
|
|
3L77
| X-ray structure alcohol dehydrogenase from archaeon Thermococcus sibiricus complexed with 5-hydroxy-NADP | 分子名称: | 1,2-ETHANEDIOL, 5-hydroxy-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, GLYCEROL, ... | 著者 | Lyashenko, A.V, Lashkov, A.A, Gabdoulkhakov, A.G, Mikhailov, A.M. | 登録日 | 2009-12-28 | 公開日 | 2011-01-19 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | X-ray structure alcohol dehydrogenase from archaeon Thermococcus sibiricus complexed with 5-hydroxy-NADP To be Published
|
|
4QTX
| Caspase-3 Y195A | 分子名称: | ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, ACETATE ION, Caspase-3 | 著者 | Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. | 登録日 | 2014-07-09 | 公開日 | 2014-11-05 | 最終更新日 | 2017-11-22 | 実験手法 | X-RAY DIFFRACTION (1.974 Å) | 主引用文献 | Modifying caspase-3 activity by altering allosteric networks. Biochemistry, 53, 2014
|
|
7GS0
| Crystal structure of SARS-CoV-2 main protease in complex with cpd-23 | 分子名称: | (pyridin-2-yl)(quinolin-2-yl)methanone, 3C-like proteinase nsp5, CHLORIDE ION, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
|
|
8DHK
| |
7ZVD
| K89 acetylated glucose-6-phosphate dehydrogenase (G6PD) in a complex with structural NADP+ | 分子名称: | Glucose-6-phosphate 1-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Wu, F, Muskat, N.H, Nudelman, H, Shahar, A, Arbely, E. | 登録日 | 2022-05-15 | 公開日 | 2023-08-23 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | Acetylation-dependent coupling between G6PD activity and apoptotic signaling. Nat Commun, 14, 2023
|
|
7GRF
| Crystal structure of SARS-CoV-2 main protease in complex with cpd-2 | 分子名称: | 3C-like proteinase nsp5, 5-bromopyridin-3-amine, CHLORIDE ION, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
|
|
7GRJ
| Crystal structure of SARS-CoV-2 main protease in complex with cpd-6 | 分子名称: | (5-chloro-1-benzothiophen-3-yl)methanol, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
|
|
7GRW
| Crystal structure of SARS-CoV-2 main protease in complex with cpd-19 | 分子名称: | (2S)-N-(3,5-dichlorophenyl)-2-hydroxypropanamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
|
|
7GRX
| Crystal structure of SARS-CoV-2 main protease in complex with cpd-20 | 分子名称: | 1-(2,4-difluorophenyl)pyrrolidine-2,5-dione, 3C-like proteinase nsp5, CHLORIDE ION, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
|
|
7ZTN
| Crystal structure of fungal CE16 acetyl xylan esterase | 分子名称: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Dimarogona, M, Kosinas, C, Pentari, C, Zerva, A, Topakas, E. | 登録日 | 2022-05-10 | 公開日 | 2023-08-23 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | The role of CE16 exo-deacetylases in hemicellulolytic enzyme mixtures revealed by the biochemical and structural study of the novel TtCE16B esterase. Carbohydr Polym, 327, 2024
|
|
7GRU
| Crystal structure of SARS-CoV-2 main protease in complex with cpd-17 | 分子名称: | 3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-amine, 3C-like proteinase nsp5, CHLORIDE ION, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
|
|
6RNP
| Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide | 分子名称: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 2,5-bis(fluoranyl)benzenesulfonamide, Carbonic anhydrase 2, ... | 著者 | Gloeckner, S, Heine, A, Klebe, G. | 登録日 | 2019-05-09 | 公開日 | 2020-04-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | 主引用文献 | The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II. Biomolecules, 10, 2020
|
|
6EDM
| Structure of apo-CDD-1 beta-lactamase | 分子名称: | Beta-lactamase, SULFATE ION | 著者 | Smith, C.A, Vakulenko, S.B. | 登録日 | 2018-08-09 | 公開日 | 2019-08-14 | 最終更新日 | 2020-03-25 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | The crystal structures of CDD-1, the intrinsic class D beta-lactamase from the pathogenic Gram-positive bacterium Clostridioides difficile, and its complex with cefotaxime. J.Struct.Biol., 208, 2019
|
|
5CCP
| HISTIDINE 52 IS A CRITICAL RESIDUE FOR RAPID FORMATION OF CYTOCHROME C PEROXIDASE COMPOUND I | 分子名称: | CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Brown, K, Shaw, A, Miller, M.A, Kraut, J. | 登録日 | 1993-06-07 | 公開日 | 1993-10-31 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Histidine 52 is a critical residue for rapid formation of cytochrome c peroxidase compound I. Biochemistry, 32, 1993
|
|