5UJ4
| Crystal structure of the KPC-2 beta-lactamase complexed with hydrolyzed faropenem | 分子名称: | (2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-5-[(2R)-oxolan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL | 著者 | Pemberton, O.A, Chen, Y. | 登録日 | 2017-01-16 | 公開日 | 2017-04-26 | 最終更新日 | 2024-10-09 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Molecular Basis of Substrate Recognition and Product Release by the Klebsiella pneumoniae Carbapenemase (KPC-2). J. Med. Chem., 60, 2017
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6M7I
| Crystal structure of KPC-2 with compound 3 | 分子名称: | 1-(2,4-dichlorophenyl)-4-(1H-tetrazol-5-yl)-1H-pyrazol-5-amine, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL | 著者 | Akhtar, A, Chen, Y. | 登録日 | 2018-08-20 | 公開日 | 2019-04-17 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.701 Å) | 主引用文献 | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery. Acs Infect Dis., 5, 2019
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5GWE
| cytochrome P450 CREJ | 分子名称: | (4-methylphenyl) dihydrogen phosphate, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Dong, S, liu, X, Wang, X, Feng, Y. | 登録日 | 2016-09-11 | 公開日 | 2017-07-12 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Selective oxidation of aliphatic C-H bonds in alkylphenols by a chemomimetic biocatalytic system Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7DRT
| Human Wntless in complex with Wnt3a | 分子名称: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhong, Q, Zhao, Y, Ye, F, Xiao, Z, Huang, G, Zhang, Y, Lu, P, Xu, W, Zhou, Q, Ma, D. | 登録日 | 2020-12-29 | 公開日 | 2021-07-14 | 最終更新日 | 2021-09-08 | 実験手法 | ELECTRON MICROSCOPY (2.2 Å) | 主引用文献 | Cryo-EM structure of human Wntless in complex with Wnt3a. Nat Commun, 12, 2021
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5MUJ
| BT0996 RGII Chain B Complex | 分子名称: | ACETATE ION, Beta-galactosidase, alpha-L-rhamnopyranose-(1-2)-[alpha-L-rhamnopyranose-(1-3)]alpha-L-arabinopyranose-(1-4)-[4-O-[(1R)-1-hydroxyethyl]-2-O-methyl-alpha-L-fucopyranose-(1-2)]beta-D-galactopyranose-(1-2)-alpha-D-aceric acid-(1-4)-alpha-L-rhamnopyranose-(1-3)-3-C-(hydroxylmethyl)-alpha-D-erythrofuranose | 著者 | Cartmell, A, Basle, A, Ndeh, D, Luis, A.S, Venditto, I, Labourel, A, Rogowski, A, Gilbert, H.J. | 登録日 | 2017-01-13 | 公開日 | 2017-04-05 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Complex pectin metabolism by gut bacteria reveals novel catalytic functions. Nature, 544, 2017
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5MQM
| Glycoside hydrolase BT_0986 | 分子名称: | CALCIUM ION, D-rhamnopyranose tetrazole, Glycosyl hydrolases family 2, ... | 著者 | Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J. | 登録日 | 2016-12-20 | 公開日 | 2017-03-22 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Complex pectin metabolism by gut bacteria reveals novel catalytic functions. Nature, 544, 2017
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5MQN
| Glycoside hydrolase BT_0986 | 分子名称: | CALCIUM ION, Glycosyl hydrolases family 2, sugar binding domain | 著者 | Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J. | 登録日 | 2016-12-20 | 公開日 | 2017-03-22 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Complex pectin metabolism by gut bacteria reveals novel catalytic functions. Nature, 544, 2017
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5LYY
| Fragment-based inhibitors of Lipoprotein associated Phospholipase A2 | 分子名称: | 3-[2-(4-fluoranylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione, Platelet-activating factor acetylhydrolase | 著者 | Woolford, A, Day, P. | 登録日 | 2016-09-29 | 公開日 | 2016-12-21 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2). J. Med. Chem., 59, 2016
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6MIA
| Crystal structure of CTX-M-14 with compound 6 | 分子名称: | 3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, Beta-lactamase | 著者 | Akhtar, A, Chen, Y. | 登録日 | 2018-09-19 | 公開日 | 2019-04-17 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.399 Å) | 主引用文献 | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery. Acs Infect Dis., 5, 2019
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8UOB
| SARS-CoV-2 Papain-like protease (PLpro) with Inhibitor Jun12682 | 分子名称: | 5-[2-(dimethylamino)ethoxy]-N-{(1R)-1-[(3M,5P)-3-(1-ethyl-1H-pyrazol-3-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-2-methylbenzamide, CHLORIDE ION, Papain-like protease nsp3, ... | 著者 | Ansari, A, Tan, B, Ruiz, F.X, Wang, J, Arnold, E. | 登録日 | 2023-10-19 | 公開日 | 2024-04-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | 主引用文献 | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
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8UUG
| SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12303 | 分子名称: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | 著者 | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | 登録日 | 2023-11-01 | 公開日 | 2024-04-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | 主引用文献 | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
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8UUH
| SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12199 | 分子名称: | 5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-{(3M,5P)-3-(1-methyl-1H-pyrazol-4-yl)-5-[1-(propan-2-yl)-1H-pyrazol-4-yl]phenyl}ethyl]benzamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | 登録日 | 2023-11-01 | 公開日 | 2024-04-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
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8UUW
| SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12145 | 分子名称: | 5-[2-(dimethylamino)ethoxy]-2-methyl-N-{(1R)-1-[(3P,5M)-3-(1-methyl-1H-pyrazol-4-yl)-5-(1,3-thiazol-5-yl)phenyl]ethyl}benzamide, ACETATE ION, CHLORIDE ION, ... | 著者 | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | 登録日 | 2023-11-02 | 公開日 | 2024-04-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
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8UUF
| SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun11941 | 分子名称: | ACETATE ION, CHLORIDE ION, N-{(1R)-1-[(3M,5P)-3,5-bis(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide, ... | 著者 | Ansari, A, Tan, B, Riuz, F.X, Arnold, E, Wang, J. | 登録日 | 2023-11-01 | 公開日 | 2024-04-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | 主引用文献 | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
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8UUY
| SARS-CoV-2 papain-like protease (PLpro) complex with inhibitor Jun12129 | 分子名称: | ACETATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | 登録日 | 2023-11-02 | 公開日 | 2024-04-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
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8UUU
| SARS-Cov-2 papain-like protease (PLpro) with inhibitor Jun12162 | 分子名称: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | 著者 | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | 登録日 | 2023-11-02 | 公開日 | 2024-04-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (3.01 Å) | 主引用文献 | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
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5UL8
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5DZO
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5LZ4
| Fragment-based inhibitors of Lipoprotein associated Phospholipase A2 | 分子名称: | 5-[2-(4,4-dimethyl-2-oxidanylidene-pyrrolidin-1-yl)ethoxy]-2-fluoranyl-benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase | 著者 | Woolford, A, Day, P. | 登録日 | 2016-09-29 | 公開日 | 2016-12-21 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2). J. Med. Chem., 59, 2016
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6MEY
| Crystal structure of KPC-2 with compound 9 | 分子名称: | (2R)-2-phenyl-2-(phenylamino)-N-(1H-tetrazol-5-yl)acetamide, ACETATE ION, Carbapenem-hydrolyzing beta-lactamase KPC | 著者 | Akhtar, A, Chen, Y. | 登録日 | 2018-09-07 | 公開日 | 2019-04-17 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery. Acs Infect Dis., 5, 2019
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7VOJ
| Al-bound structure of the AtALMT1 mutant M60A | 分子名称: | ACETIC ACID, ALUMINUM ION, Aluminum-activated malate transporter 1 | 著者 | Wang, J. | 登録日 | 2021-10-14 | 公開日 | 2021-12-01 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Structural basis of ALMT1-mediated aluminum resistance in Arabidopsis. Cell Res., 32, 2022
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7VQ3
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7VQ5
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6J9O
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7VQ4
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