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6CSB
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BU of 6csb by Molmil
V308E mutant of cytochrome P450 2D6 complexed with thioridazine
分子名称: 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, ACETATE ION, Cytochrome P450 2D6, ...
著者Yang, Y.T, Fujita, K, Wang, P.F, Im, S.C, Pearl, N.M, Meagher, J, Stuckey, J, Waskell, L.
登録日2018-03-20
公開日2019-03-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.394 Å)
主引用文献Characteristic conformational changes on the distal and proximal surfaces of cytochrome P450 2D6 in response to substrate binding
To Be Published
4MGJ
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BU of 4mgj by Molmil
Crystal structure of cytochrome P450 2B4 F429H in complex with 4-CPI
分子名称: 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
著者Yang, Y, Zhang, H, Usharani, D, Bu, W, Im, S, Tarasev, M, Rwere, F, Meagher, J, Sun, C, Stuckey, J, Shaik, S, Waskell, L.
登録日2013-08-28
公開日2014-08-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structural and Functional Characterization of a Cytochrome P450 2B4 F429H Mutant with an Axial Thiolate-Histidine Hydrogen Bond.
Biochemistry, 53, 2014
6CSD
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BU of 6csd by Molmil
V308E mutant of cytochrome P450 2D6 complexed with prinomastat
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Yang, Y.T, Fujita, K, Wang, P.F, Im, S.C, Pearl, N.M, Meagher, J, Stuckey, J, Waskell, L.
登録日2018-03-20
公開日2019-03-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.391 Å)
主引用文献Characteristic conformational changes on the distal and proximal surfaces of cytochrome P450 2D6 in response to substrate binding
To Be Published
8SX4
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BU of 8sx4 by Molmil
Crystal Structure of eIF4e in complex with Compound 7n
分子名称: 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, Eukaryotic translation initiation factor 4E, [(~{Z})-4-[2-azanyl-7-[(5-chloranyl-1~{H}-indol-2-yl)methyl]-6-oxidanylidene-1~{H}-purin-9-yl]but-2-enyl]phosphonic acid
著者Meagher, J.L, Stuckey, J.A.
登録日2023-05-19
公開日2023-06-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.986 Å)
主引用文献Design of Cell-Permeable Inhibitors of Eukaryotic Translation Initiation Factor 4E (eIF4E) for Inhibiting Aberrant Cap-Dependent Translation in Cancer.
J.Med.Chem., 66, 2023
6DL2
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BU of 6dl2 by Molmil
BRD4 bromodomain 1 in complex with HYB157
分子名称: 1,2-ETHANEDIOL, 3-benzyl-2,9-dimethyl-4H,6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,4]oxazepine, Bromodomain-containing protein 4
著者Meagher, J.L, Stuckey, J.A.
登録日2018-05-31
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Discovery of QCA570 as an Exceptionally Potent and Efficacious Proteolysis Targeting Chimera (PROTAC) Degrader of the Bromodomain and Extra-Terminal (BET) Proteins Capable of Inducing Complete and Durable Tumor Regression.
J. Med. Chem., 61, 2018
6BWW
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BU of 6bww by Molmil
Crystal structure of an acetate and Cymal-5 bound cytochrome P450 2B4 F429H mutant
分子名称: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, ACETATE ION, Cytochrome P450 2B4, ...
著者Yang, Y.T, Waskell, L.
登録日2017-12-15
公開日2018-12-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of cytochrome P450 2B4 with an acetate ligand and an active site hydrogen bond network similar to oxyferrous P450cam.
J.Inorg.Biochem., 185, 2018

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件を2024-05-01に公開中

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