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PDB: 9 件

7T3F
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BU of 7t3f by Molmil
Development of BRD4 inhibitors as arsenicals antidotes
分子名称: 4-fluoro-3-methyl-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-1-sulfonamide, Bromodomain-containing protein 4, GLYCEROL
著者Wu, M, Yatchang, M, Mathew, B, Zhai, L, Ruiz, P, Bostwick, R, Augelli-Szafran, C.E, Suto, M.J.
登録日2021-12-07
公開日2022-08-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Development of BRD4 inhibitors as anti-inflammatory agents and antidotes for arsenicals.
Bioorg.Med.Chem.Lett., 64, 2022
6B72
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BU of 6b72 by Molmil
A novel HIV-1 Nef dimer interface induced by a single octyl-glucoside molecule
分子名称: Protein Nef, octyl beta-D-glucopyranoside
著者Wu, M, Augelli-Szafran, C.E, Ptak, R.G, Smithgall, T.E.
登録日2017-10-03
公開日2018-02-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献A single beta-octyl glucoside molecule induces HIV-1 Nef dimer formation in the absence of partner protein binding.
PLoS ONE, 13, 2018
6W7H
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BU of 6w7h by Molmil
Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments
分子名称: 6-methyl-2-oxo-2,5-dihydropyrimidine-4-carboxylic acid, Nonstructural polyprotein
著者Zhang, S, Garzan, A, Augelli-Szafran, C.E, Pathak, A.K, Wu, M.
登録日2020-03-19
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design.
Plos One, 16, 2021
6W8Z
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BU of 6w8z by Molmil
Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments
分子名称: Nonstructural polyprotein, methyl 2-oxo-1,2-dihydroquinazoline-4-carboxylate
著者Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M.
登録日2020-03-21
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design.
Plos One, 16, 2021
6W8Y
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BU of 6w8y by Molmil
Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments
分子名称: 2-oxo-2,3-dihydropyrimidine-4-carboxylic acid, Nonstructural polyprotein
著者Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M.
登録日2020-03-21
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design.
Plos One, 16, 2021
6W91
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BU of 6w91 by Molmil
Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments
分子名称: Nonstructural polyprotein, methyl 2-oxo-2,5-dihydropyrimidine-4-carboxylate
著者Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M.
登録日2020-03-21
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design.
Plos One, 16, 2021
6W8M
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BU of 6w8m by Molmil
Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments
分子名称: 2-oxo-1,2-dihydroquinazoline-4-carboxylic acid, Nonstructural polyprotein
著者Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M.
登録日2020-03-20
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design.
Plos One, 16, 2021
6W8K
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BU of 6w8k by Molmil
Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments
分子名称: 5,6-dimethyl-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid, Nonstructural polyprotein
著者Zhang, S, Garzan, A, Augelli-Szafran, C.E, Pathak, A.K, Wu, M.
登録日2020-03-20
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design.
Plos One, 16, 2021
6W8Q
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BU of 6w8q by Molmil
Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments
分子名称: 2-oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid, Nonstructural polyprotein
著者Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M.
登録日2020-03-21
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design.
Plos One, 16, 2021

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件を2024-05-08に公開中

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