8BZP
| JNK3 (Mitogen-activated protein kinase 10) in Complex with Compound 23 bearing a C(sp3)F2Br moiety | 分子名称: | 1,2-ETHANEDIOL, 2-bromanyl-2,2-bis(fluoranyl)-~{N}-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethanamide, BETA-MERCAPTOETHANOL, ... | 著者 | Stahlecker, J, Vaas, S, Stehle, T, Boeckler, F.M. | 登録日 | 2022-12-15 | 公開日 | 2023-08-02 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Principles and Applications of CF 2 X Moieties as Unconventional Halogen Bond Donors in Medicinal Chemistry, Chemical Biology, and Drug Discovery. J.Med.Chem., 66, 2023
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2VUK
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7ZH8
| DYRK1a in Complex with a Bromo-Triazolo-Pyridine | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-bromanyl-3H-[1,2,3]triazolo[4,5-b]pyridine, CHLORIDE ION, ... | 著者 | Dammann, M, Stahlecker, J, Stehle, T, Boeckler, F.M. | 登録日 | 2022-04-05 | 公開日 | 2022-11-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Screening of a Halogen-Enriched Fragment Library Leads to Unconventional Binding Modes. J.Med.Chem., 65, 2022
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8A92
| p53-Y220C Core Domain in Complex with a Bromo-trifluoro-pyrazole-amine | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-bromanyl-5-(trifluoromethyl)-1H-pyrazol-3-amine, Cellular tumor antigen p53, ... | 著者 | Stahlecker, J, Braun, M.B, Stehle, T, Boeckler, F.M. | 登録日 | 2022-06-27 | 公開日 | 2022-11-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Revisiting a challenging p53 binding site: a diversity-optimized HEFLib reveals diverse binding modes in T-p53C-Y220C. Rsc Med Chem, 13, 2022
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5AOM
| Structure of the p53 cancer mutant Y220C with bound small molecule PhiKan883 | 分子名称: | CELLULAR TUMOR ANTIGEN P53, GLYCEROL, N-(5-chloranyl-2-oxidanyl-phenyl)piperidine-4-carboxamide, ... | 著者 | Joerger, A.C, Boeckler, F.M, Wilcken, R. | 登録日 | 2015-09-10 | 公開日 | 2015-12-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant P53. Structure, 23, 2015
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4AGP
| Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5176 | 分子名称: | 2-{[4-(diethylamino)piperidin-1-yl]methyl}-6-iodo-4-(3-phenoxyprop-1-yn-1-yl)phenol, CELLULAR TUMOR ANTIGEN P53, ZINC ION | 著者 | Joerger, A.C, Wilcken, R, Fersht, A.R, Boeckler, F.M. | 登録日 | 2012-01-30 | 公開日 | 2012-03-21 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant P53. J.Am.Chem.Soc., 134, 2012
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4AGL
| Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan784 | 分子名称: | 2,4-BIS(IODANYL)-6-[[METHYL-(1-METHYLPIPERIDIN-4-YL)AMINO]METHYL]PHENOL, CELLULAR TUMOR ANTIGEN P53, ZINC ION | 著者 | Joerger, A.C, Wilcken, R, Boeckler, F.M, Fersht, A.R. | 登録日 | 2012-01-30 | 公開日 | 2012-03-21 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant P53. J.Am.Chem.Soc., 134, 2012
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4AGQ
| Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5196 | 分子名称: | 2-{[4-(diethylamino)piperidin-1-yl]methyl}-6-iodo-4-[3-(phenylamino)prop-1-yn-1-yl]phenol, CELLULAR TUMOR ANTIGEN P53, ZINC ION | 著者 | Joerger, A.C, Wilcken, R, Boeckler, F.M, Fersht, A.R. | 登録日 | 2012-01-30 | 公開日 | 2012-03-21 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant P53. J.Am.Chem.Soc., 134, 2012
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4AGN
| Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5116 | 分子名称: | 2-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4-(3-HYDROXYPROP-1-YN-1-YL)-6-IODOPHENOL, CELLULAR TUMOR ANTIGEN P53, ZINC ION | 著者 | Joerger, A.C, Wilcken, R, Boeckler, F.M, Fersht, A.R. | 登録日 | 2012-01-30 | 公開日 | 2012-03-21 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant P53. J.Am.Chem.Soc., 134, 2012
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4AGM
| Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5086 | 分子名称: | 2-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4,6-DIIODOPHENOL, CELLULAR TUMOR ANTIGEN P53, ZINC ION | 著者 | Joerger, A.C, Wilcken, R, Boeckler, F.M, Fersht, A.R. | 登録日 | 2012-01-30 | 公開日 | 2012-03-21 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant P53. J.Am.Chem.Soc., 134, 2012
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4AGO
| Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5174 | 分子名称: | CELLULAR TUMOR ANTIGEN P53, TERT-BUTYL [3-(3-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4-HYDROXY-5-IODOPHENYL)PROP-2-YN-1-YL]CARBAMATE, ZINC ION | 著者 | Joerger, A.C, Wilcken, R, Fersht, A.R, Boeckler, F.M. | 登録日 | 2012-01-30 | 公開日 | 2012-03-21 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant P53. J.Am.Chem.Soc., 134, 2012
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