7RN1
 
 | |
7RN0
 | |
8DZB
 | | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor 11 | | 分子名称: | 3C-like proteinase nsp5, GLYCEROL, benzyl {(3S)-1-[(2S)-1-({(2S,3R)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidin-3-yl}carbamate | | 著者 | Sacco, M, Chen, Y. | | 登録日 | 2022-08-06 | | 公開日 | 2023-04-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Development of the Safe and Broad-Spectrum Aldehyde and Ketoamide Mpro inhibitors Derived from the Constrained alpha , gamma-AA Peptide Scaffold.
Chemistry, 29, 2023
|
|
8DZC
 | | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor 17 | | 分子名称: | (3,5-difluorophenyl)methyl {(3S)-1-[(2S)-1-({(2S,3R)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-6-oxopiperidin-3-yl}carbamate, 3C-like proteinase nsp5, GLYCEROL | | 著者 | Sacco, M, Chen, Y. | | 登録日 | 2022-08-06 | | 公開日 | 2023-04-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Development of the Safe and Broad-Spectrum Aldehyde and Ketoamide Mpro inhibitors Derived from the Constrained alpha , gamma-AA Peptide Scaffold.
Chemistry, 29, 2023
|
|
6UEC
 | | Pseudomonas aeruginosa LpxD Complex Structure with Ligand | | 分子名称: | 4-(naphthalen-1-yl)-4-oxobutanoic acid, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | 著者 | Chen, Y, Kroeck, K, Sacco, M. | | 登録日 | 2019-09-20 | | 公開日 | 2019-11-13 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Discovery of dual-activity small-molecule ligands of Pseudomonas aeruginosa LpxA and LpxD using SPR and X-ray crystallography.
Sci Rep, 9, 2019
|
|
6UEE
 | | Pseudomonas aeruginosa LpxA Complex Structure with Ligand | | 分子名称: | 4-(naphthalen-1-yl)-4-oxobutanoic acid, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, GLYCEROL | | 著者 | Chen, Y, Kroeck, K, Sacco, M. | | 登録日 | 2019-09-20 | | 公開日 | 2019-11-13 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Discovery of dual-activity small-molecule ligands of Pseudomonas aeruginosa LpxA and LpxD using SPR and X-ray crystallography.
Sci Rep, 9, 2019
|
|
6UED
 | | Apo Pseudomonas aeruginosa LpxD Structure | | 分子名称: | GLYCEROL, MAGNESIUM ION, UDP-3-O-acylglucosamine N-acyltransferase | | 著者 | Chen, Y, Kroeck, K, Sacco, M. | | 登録日 | 2019-09-20 | | 公開日 | 2019-11-13 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Discovery of dual-activity small-molecule ligands of Pseudomonas aeruginosa LpxA and LpxD using SPR and X-ray crystallography.
Sci Rep, 9, 2019
|
|
7KX5
 | | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with noncovalent inhibitor Jun8-76-3A | | 分子名称: | 3C-like proteinase, GLYCEROL, N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide | | 著者 | Sacco, M, Wang, J, Chen, Y. | | 登録日 | 2020-12-03 | | 公開日 | 2020-12-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Discovery of Di- and Trihaloacetamides as Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity.
J.Am.Chem.Soc., 143, 2021
|
|
7JRN
 | | Crystal structure of the wild type SARS-CoV-2 papain-like protease (PLPro) with inhibitor GRL0617 | | 分子名称: | 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, SULFATE ION, ... | | 著者 | Sacco, M, Ma, C, Wang, J, Chen, Y. | | 登録日 | 2020-08-12 | | 公開日 | 2020-08-26 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Discovery of SARS-CoV-2 Papain-like Protease Inhibitors through a Combination of High-Throughput Screening and a FlipGFP-Based Reporter Assay.
Acs Cent.Sci., 7, 2021
|
|
7K99
 | | Crystal Structure of P. aeruginosa LpxC with N-Hydroxyformamide inhibitor 19 | | 分子名称: | (hydroxy{(1S)-1-(methylsulfanyl)-2-[5-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)-1H-benzotriazol-1-yl]ethyl}amino)methanol, GLYCEROL, SULFATE ION, ... | | 著者 | Sacco, M, Chen, Y. | | 登録日 | 2020-09-28 | | 公開日 | 2020-11-25 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | N-Hydroxyformamide LpxC inhibitors, their in vivo efficacy in a mouse Escherichia coli infection model, and their safety in a rat hemodynamic assay.
Bioorg.Med.Chem., 28, 2020
|
|
7K9A
 | | Crystal Structure of P. aeruginosa LpxC with N-Hydroxyformamide inhibitor | | 分子名称: | DIMETHYL SULFOXIDE, GLYCEROL, N-hydroxy-N-[(1R)-2-{5-[(4-{[2-(hydroxymethyl)-1H-imidazol-1-yl]methyl}phenyl)ethynyl]-1H-benzotriazol-1-yl}-1-(methylsulfanyl)ethyl]formamide, ... | | 著者 | Sacco, M, Chen, Y. | | 登録日 | 2020-09-29 | | 公開日 | 2020-11-25 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | N-Hydroxyformamide LpxC inhibitors, their in vivo efficacy in a mouse Escherichia coli infection model, and their safety in a rat hemodynamic assay.
Bioorg.Med.Chem., 28, 2020
|
|
