8HVL
 
 | | Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with PF07321332 | | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | 著者 | Zou, X.F, Zhang, J, Li, J. | | 登録日 | 2022-12-27 | | 公開日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Crystal structure of SARS-Cov-2 main protease
M49I mutant in complex with PF07321332
To Be Published
|
|
8HVK
 | | Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with PF07321332 | | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | 著者 | Zeng, P, Zhang, J, Li, J. | | 登録日 | 2022-12-27 | | 公開日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Crystal structure of SARS-Cov-2 main protease
G15S mutant in complex with PF07321332
To Be Published
|
|
8HVI
 | | Activation mechanism of GPR132 by compound NOX-6-7 | | 分子名称: | 3-methyl-5-[(4-oxidanylidene-4-phenyl-butanoyl)amino]-1-benzofuran-2-carboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | 著者 | Wang, J.L, Ding, J.H, Sun, J.P, Yu, X. | | 登録日 | 2022-12-26 | | 公開日 | 2023-10-11 | | 最終更新日 | 2023-11-01 | | 実験手法 | ELECTRON MICROSCOPY (3.04 Å) | | 主引用文献 | Functional screening and rational design of compounds targeting GPR132 to treat diabetes.
Nat Metab, 5, 2023
|
|
8HVA
 | |
8HV9
 | | Crystal structure of EGFR_TMX in complex with covalently bound fragment 12 | | 分子名称: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ... | | 著者 | Dokurno, P. | | 登録日 | 2022-12-26 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
|
|
8HV8
 | | Crystal structure of EGFR_TMX in complex with covalently bound fragment 10 | | 分子名称: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Epidermal growth factor receptor, ~{N}-pyrazolo[1,5-a]pyridin-2-ylprop-2-enamide | | 著者 | Dokurno, P. | | 登録日 | 2022-12-26 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
|
|
8HV7
 | | Crystal structure of EGFR_TMX in complex with covalently bound fragment 9 | | 分子名称: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ... | | 著者 | Dokurno, P. | | 登録日 | 2022-12-26 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
|
|
8HV6
 | | Crystal structure of EGFR_TMX in complex with covalently bound fragment 8 | | 分子名称: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ... | | 著者 | Dokurno, P. | | 登録日 | 2022-12-26 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
|
|
8HV5
 | | Crystal structure of EGFR_DMX in complex with compound 7 | | 分子名称: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Epidermal growth factor receptor, ~{N}-(1-methylbenzimidazol-4-yl)prop-2-enamide | | 著者 | Dokurno, P. | | 登録日 | 2022-12-26 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
|
|
8HV4
 | | Crystal structure of EGFR_TMX in complex with covalently bound fragment 4 | | 分子名称: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Dokurno, P. | | 登録日 | 2022-12-26 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
|
|
8HV3
 | | Crystal structure of EGFR_DMX in complex with covalently bound fragment 4 | | 分子名称: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ... | | 著者 | Dokurno, P. | | 登録日 | 2022-12-26 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
|
|
8HV2
 | |
8HV1
 | | Crystal structure of EGFR_DMX in complex with covalently bound fragment 1 | | 分子名称: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 3-(3-bromophenyl)-1,4-dihydro-1,2,4-triazole-5-thione, Epidermal growth factor receptor, ... | | 著者 | Dokurno, P. | | 登録日 | 2022-12-26 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
|
|
8HUY
 | | N-acetyl-(R)-beta-phenylalanine acylase | | 分子名称: | Chains: A,B | | 著者 | Kato, Y, Natsume, R. | | 登録日 | 2022-12-24 | | 公開日 | 2023-03-15 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Expression, purification and crystallization of N-acetyl-(R)-beta-phenylalanine acylases derived from Burkholderia sp. AJ110349 and Variovorax sp. AJ110348 and structure determination of the Burkholderia enzyme.
Acta Crystallogr.,Sect.F, 79, 2023
|
|
8HUX
 | | Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with S217622 | | 分子名称: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | | 著者 | Li, W.W, Zhang, J, Li, J. | | 登録日 | 2022-12-24 | | 公開日 | 2023-06-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
|
|
8HUW
 | | Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with S217622 | | 分子名称: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | | 著者 | Wang, J, Zhang, J, Li, J. | | 登録日 | 2022-12-24 | | 公開日 | 2023-06-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
|
|
8HUV
 | | Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with S217622 | | 分子名称: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | | 著者 | Zeng, P, Zhang, J, Li, J. | | 登録日 | 2022-12-24 | | 公開日 | 2023-06-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
|
|
8HUU
 | | Crystal structure of HCoV-NL63 main protease with S217622 | | 分子名称: | 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | | 著者 | Zeng, X.Y, Zhang, J, Li, J. | | 登録日 | 2022-12-24 | | 公開日 | 2023-06-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
|
|
8HUT
 | | Crystal structure of MERS main protease in complex with S217622 | | 分子名称: | 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, ORF1a | | 著者 | Lin, C, Zhang, J, Li, J. | | 登録日 | 2022-12-24 | | 公開日 | 2023-06-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
|
|
8HUS
 | | Crystal structure of SARS main protease in complex with S217622 | | 分子名称: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | | 著者 | Lin, C, Zhang, J, Li, J. | | 登録日 | 2022-12-24 | | 公開日 | 2023-06-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
|
|
8HUR
 | | Crystal structure of SARS-Cov-2 main protease in complex with S217622 | | 分子名称: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | | 著者 | Zhou, X.L, Zhang, J, Li, J. | | 登録日 | 2022-12-24 | | 公開日 | 2023-06-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
|
|
8HUQ
 | | X-ray structure of human PPAR alpha ligand binding domain-elafibranor-SRC1 coactivator peptide co-crystals obtained by soaking | | 分子名称: | 15-meric peptide from Nuclear receptor coactivator 1, 2-[2,6-dimethyl-4-[(~{E})-3-(4-methylsulfanylphenyl)-3-oxidanylidene-prop-1-enyl]phenoxy]-2-methyl-propanoic acid, GLYCEROL, ... | | 著者 | Kamata, S, Ishikawa, R, Akahane, M, Honda, A, Oyama, T, Ishii, I. | | 登録日 | 2022-12-24 | | 公開日 | 2023-08-09 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Functional and Structural Insights into the Human PPAR alpha / delta / gamma Targeting Preferences of Anti-NASH Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor.
Antioxidants, 12, 2023
|
|
8HUP
 | | X-ray structure of human PPAR gamma ligand binding domain-seladelpar-SRC1 coactivator peptide co-crystals obtained by co-crystallization | | 分子名称: | 15-meric peptide from Nuclear receptor coactivator 1, Isoform 1 of Peroxisome proliferator-activated receptor gamma, Seladelpar | | 著者 | Kamata, S, Honda, A, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I. | | 登録日 | 2022-12-24 | | 公開日 | 2023-08-09 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Functional and Structural Insights into the Human PPAR alpha / delta / gamma Targeting Preferences of Anti-NASH Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor.
Antioxidants, 12, 2023
|
|
8HUO
 | | X-ray structure of human PPAR delta ligand binding domain-seladelpar co-crystals obtained by co-crystallization | | 分子名称: | Peroxisome proliferator-activated receptor delta, Seladelpar | | 著者 | Kamata, S, Honda, A, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I. | | 登録日 | 2022-12-24 | | 公開日 | 2023-08-09 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.671 Å) | | 主引用文献 | Functional and Structural Insights into the Human PPAR alpha / delta / gamma Targeting Preferences of Anti-NASH Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor.
Antioxidants, 12, 2023
|
|
8HUN
 | | X-ray structure of human PPAR alpha ligand binding domain-seladelpar co-crystals obtained by cross-seeding | | 分子名称: | GLYCEROL, Peroxisome proliferator-activated receptor alpha, Seladelpar | | 著者 | Kamata, S, Honda, A, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Iino, S, Oyama, T, Ishii, I. | | 登録日 | 2022-12-24 | | 公開日 | 2023-08-09 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Functional and Structural Insights into the Human PPAR alpha / delta / gamma Targeting Preferences of Anti-NASH Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor.
Antioxidants, 12, 2023
|
|
