6N0X
| |
8E5Z
| Crystal structure of SARS-CoV-2 3CL protease in complex with a dimethyl sulfonyl benzene inhibitor | 分子名称: | (1R,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase | 著者 | Lovell, S, Liu, L, Battaile, K.P, Miller, M.J, Groutas, W.C. | 登録日 | 2022-08-22 | 公開日 | 2022-09-21 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV). Eur.J.Med.Chem., 254, 2023
|
|
8PHN
| |
7PB5
| |
6N2F
| |
7WCC
| Oxidase ChaP-D49L/Q91C mutant | 分子名称: | ChaP, FE (III) ION | 著者 | Sun, M.X, Zheng, W, Wang, Y.S, Zhu, J.P, Tan, R.X. | 登録日 | 2021-12-19 | 公開日 | 2023-05-24 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Oxidase ChaP-D49L/Q91C mutant To Be Published
|
|
7P2F
| |
8DRW
| Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp9-nsp10 (C9) cut site sequence | 分子名称: | DI(HYDROXYETHYL)ETHER, Fusion protein of 3C-like proteinase nsp5 and nsp9-nsp10 (C9) cut site, PENTAETHYLENE GLYCOL, ... | 著者 | Lee, J, Kenward, C, Worrall, L.J, Vuckovic, M, Paetzel, M, Strynadka, N.C.J. | 登録日 | 2022-07-21 | 公開日 | 2022-09-21 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | 主引用文献 | X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation. Nat Commun, 13, 2022
|
|
8PRB
| |
8E64
| Crystal structure of SARS-CoV-2 3CL protease in complex with a benzimidazole dimethyl sulfane inhibitor | 分子名称: | (1S,2S)-2-{[N-({2-[(1H-benzimidazol-2-yl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1~{R},2~{S})-2-[[(2~{S})-2-[[2-(1~{H}-benzimidazol-2-ylsulfanyl)-2-methyl-propoxy]carbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid;molecular oxygen, 3C-like proteinase | 著者 | Lovell, S, Liu, L, Battaile, K.P, Madden, T.K, Groutas, W.C. | 登録日 | 2022-08-22 | 公開日 | 2022-09-14 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV). Eur.J.Med.Chem., 254, 2023
|
|
8PRF
| |
5A9I
| |
7PBA
| |
8PRD
| |
8DQS
| The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023032 | 分子名称: | 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[4-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | 著者 | Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W. | 登録日 | 2022-07-19 | 公開日 | 2022-09-14 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023032 To Be Published
|
|
6PAO
| |
6N2W
| The structure of Stable-5-Lipoxygenase bound to NDGA | 分子名称: | 4-[(2R,3S)-3-[(3,4-DIHYDROXYPHENYL)METHYL]-2-METHYLBUTYL]BENZENE-1,2-DIOL, Arachidonate 5-lipoxygenase, FE (II) ION | 著者 | Newcomer, M.E, Gilbert, N.C, Neau, D.B. | 登録日 | 2018-11-14 | 公開日 | 2020-05-13 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | 主引用文献 | Structural and mechanistic insights into 5-lipoxygenase inhibition by natural products. Nat.Chem.Biol., 16, 2020
|
|
5AE2
| Ether Lipid-Generating Enzyme AGPS in complex with inhibitor 1e | 分子名称: | 3-(2-fluorophenyl)-2-methyl-N-((2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)methyl)acrylamide, ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE, PEROXISOMAL, ... | 著者 | Piano, V, Benjamin, D.I, Valente, S, Nenci, S, Marrocco, B, Mai, A, Aliverti, A, Nomura, D.K, Mattevi, A. | 登録日 | 2015-08-25 | 公開日 | 2015-09-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of Inhibitors for the Ether Lipid-Generating Enzyme Agps as Anti-Cancer Agents. Acs Chem.Biol., 10, 2015
|
|
8PRC
| |
8E1Q
| The crystal structure of the I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023044 | 分子名称: | 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-{[2-(trifluoromethyl)phenyl]methyl}-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | 著者 | Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W. | 登録日 | 2022-08-11 | 公開日 | 2022-09-14 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The crystal structure of the I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023044 To Be Published
|
|
6V4V
| |
7P53
| |
6P8T
| Acinetobacter baumannii tRNA synthetase in complex with compound 1 | 分子名称: | MAGNESIUM ION, N-benzyl-2-(cyclohex-1-en-1-yl)ethan-1-amine, Phenylalanine--tRNA ligase alpha subunit, ... | 著者 | Kahne, D, Baidin, V, Owens, T.W. | 登録日 | 2019-06-07 | 公開日 | 2020-11-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | 主引用文献 | Simple Secondary Amines Inhibit Growth of Gram-Negative Bacteria through Highly Selective Binding to Phenylalanyl-tRNA Synthetase. J.Am.Chem.Soc., 143, 2021
|
|
7U2R
| Structure of Paenibacillus sp. J14 Apyc1 | 分子名称: | Apyc1, ZINC ION | 著者 | Hobbs, S.J, Wein, T, Lu, A, Morehouse, B.R, Schnabel, J, Sorek, R, Kranzusch, P.J. | 登録日 | 2022-02-24 | 公開日 | 2022-04-20 | 最終更新日 | 2022-06-01 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Phage anti-CBASS and anti-Pycsar nucleases subvert bacterial immunity. Nature, 605, 2022
|
|
7PA4
| |