6BVM
 
 | | Ras:SOS:Ras in complex with a small molecule activator | | 分子名称: | (2S)-2-amino-1-[(3aR,6aS)-5-[(5-chloro-1H-indol-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(1H-indol-3-yl)propan-1-one, FORMIC ACID, GLYCEROL, ... | | 著者 | Phan, J, Abbott, J, Fesik, S.W. | | 登録日 | 2017-12-13 | | 公開日 | 2018-10-24 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.796 Å) | | 主引用文献 | Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling.
J. Med. Chem., 61, 2018
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6BVK
 | | Ras:SOS:Ras in complex with a small molecule activator | | 分子名称: | FORMIC ACID, GLYCEROL, GTPase HRas, ... | | 著者 | Phan, J, Abbott, J, Fesik, S.W. | | 登録日 | 2017-12-13 | | 公開日 | 2018-10-24 | | 最終更新日 | 2019-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.799 Å) | | 主引用文献 | Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling.
J. Med. Chem., 61, 2018
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6BVL
 | | Ras:SOS:Ras in complex with a small molecule activator | | 分子名称: | FORMIC ACID, GLYCEROL, GTPase HRAS, ... | | 著者 | Phan, J, Abbott, J, Fesik, S.W. | | 登録日 | 2017-12-13 | | 公開日 | 2018-10-24 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.748 Å) | | 主引用文献 | Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling.
J. Med. Chem., 61, 2018
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6BVI
 | | Ras:SOS:Ras in complex with a small molecule activator | | 分子名称: | 6-chloro-N-{1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl}-L-tryptophanamide, FORMIC ACID, GLYCEROL, ... | | 著者 | Phan, J, Abbott, J, Fesik, S.W. | | 登録日 | 2017-12-13 | | 公開日 | 2018-10-24 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.746 Å) | | 主引用文献 | Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling.
J. Med. Chem., 61, 2018
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6CUP
 | | Ras:SOS:Ras in complex with a small molecule activator | | 分子名称: | FORMIC ACID, GLYCEROL, GTPase HRas, ... | | 著者 | Phan, J, Abbott, J, Fesik, S.W. | | 登録日 | 2018-03-26 | | 公開日 | 2019-02-06 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.833 Å) | | 主引用文献 | Discovery of Quinazolines That Activate SOS1-Mediated Nucleotide Exchange on RAS.
ACS Med Chem Lett, 9, 2018
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6CUR
 | | Ras:SOS:Ras in complex with a small molecule activator | | 分子名称: | FORMIC ACID, GLYCEROL, GTPase HRas, ... | | 著者 | Phan, J, Abbott, J, Fesik, S.W. | | 登録日 | 2018-03-26 | | 公開日 | 2019-02-06 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Discovery of Quinazolines That Activate SOS1-Mediated Nucleotide Exchange on RAS.
ACS Med Chem Lett, 9, 2018
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6CUO
 | | Ras:SOS:Ras in complex with a small molecule activator | | 分子名称: | FORMIC ACID, GLYCEROL, GTPase HRas, ... | | 著者 | Phan, J, Abbott, J, Fesik, S.W. | | 登録日 | 2018-03-26 | | 公開日 | 2019-02-06 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Discovery of Quinazolines That Activate SOS1-Mediated Nucleotide Exchange on RAS.
ACS Med Chem Lett, 9, 2018
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4ZBF
 | | Mcl-1 complexed with small molecules | | 分子名称: | (1R)-7-[3-(naphthalen-1-yloxy)propyl]-3,4-dihydro-2H-[1,4]thiazepino[2,3,4-hi]indole-6-carboxylic acid 1-oxide, Induced myeloid leukemia cell differentiation protein Mcl-1 | | 著者 | Zhao, B. | | 登録日 | 2015-04-14 | | 公開日 | 2015-04-29 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery of tricyclic indoles that potently inhibit mcl-1 using fragment-based methods and structure-based design.
J.Med.Chem., 58, 2015
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6D5E
 | | Ras:SOS:Ras in complex with a small molecule activator | | 分子名称: | 1-[(2S)-1-{6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazol-4-yl}pyrrolidin-2-yl]methanamine, CHLORIDE ION, FORMIC ACID, ... | | 著者 | Phan, J, Hodges, T, Fesik, S.W. | | 登録日 | 2018-04-19 | | 公開日 | 2018-09-19 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
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6D55
 | | Ras:SOS:Ras in complex with a small molecule activator | | 分子名称: | 6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole, FORMIC ACID, GLYCEROL, ... | | 著者 | Phan, J, Hodges, T, Fesik, S.W. | | 登録日 | 2018-04-19 | | 公開日 | 2018-09-19 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
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6D5G
 | | Ras:SOS:Ras in complex with a small molecule activator | | 分子名称: | 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazole, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | 著者 | Phan, J, Hodges, T, Fesik, S.W. | | 登録日 | 2018-04-19 | | 公開日 | 2018-09-19 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
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6D5V
 | | Ras:SOS:Ras in complex with a small molecule activator | | 分子名称: | 1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-1H-benzimidazol-2-amine, GTPase HRas, MAGNESIUM ION, ... | | 著者 | Phan, J, Hodges, T, Fesik, S.W. | | 登録日 | 2018-04-19 | | 公開日 | 2018-09-19 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
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6D5W
 | | Ras:SOS:Ras in complex with a small molecule activator | | 分子名称: | 10-[(4-fluorophenyl)methyl]-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole, GTPase HRas, MAGNESIUM ION, ... | | 著者 | Phan, J, Hodges, T, Fesik, S.W. | | 登録日 | 2018-04-19 | | 公開日 | 2019-03-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.478 Å) | | 主引用文献 | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
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6D5H
 | | Ras:SOS:Ras in complex with a small molecule activator | | 分子名称: | 6-chloro-4-(2-chlorophenyl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole, CHLORIDE ION, FORMIC ACID, ... | | 著者 | Phan, J, Hodges, T, Fesik, S.W. | | 登録日 | 2018-04-19 | | 公開日 | 2018-09-19 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
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6D56
 | | Ras:SOS:Ras in complex with a small molecule activator | | 分子名称: | 6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-1H-benzimidazole, FORMIC ACID, GLYCEROL, ... | | 著者 | Phan, J, Hodges, T, Fesik, S.W. | | 登録日 | 2018-04-19 | | 公開日 | 2018-09-19 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
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6D5J
 | | Ras:SOS:Ras in complex with a small molecule activator | | 分子名称: | 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole, FORMIC ACID, GLYCEROL, ... | | 著者 | Phan, J, Hodges, T, Fesik, S.W. | | 登録日 | 2018-04-19 | | 公開日 | 2018-09-19 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.751 Å) | | 主引用文献 | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
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6D59
 | | Ras:SOS:Ras in complex with a small molecule activator | | 分子名称: | 6-chloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole, FORMIC ACID, GLYCEROL, ... | | 著者 | Phan, J, Hodges, T, Fesik, S.W. | | 登録日 | 2018-04-19 | | 公開日 | 2018-09-19 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
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5FDO
 | | Mcl-1 complexed with small molecule inhibitor | | 分子名称: | 3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-~{N}-(phenylsulfonyl)-1~{H}-indole-2-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1 | | 著者 | Zhao, B. | | 登録日 | 2015-12-16 | | 公開日 | 2016-03-02 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Discovery of 2-Indole-acylsulfonamide Myeloid Cell Leukemia 1 (Mcl-1) Inhibitors Using Fragment-Based Methods.
J.Med.Chem., 59, 2016
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5FC4
 | | Mcl-1 complexed with small molecule inhibitor | | 分子名称: | 2-[5-[1,1,2,2-tetrakis(fluoranyl)ethyl]-1~{H}-pyrazol-3-yl]phenol, 6-chloranyl-~{N}-methylsulfonyl-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1 | | 著者 | Zhao, B. | | 登録日 | 2015-12-14 | | 公開日 | 2016-03-02 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Discovery of 2-Indole-acylsulfonamide Myeloid Cell Leukemia 1 (Mcl-1) Inhibitors Using Fragment-Based Methods.
J.Med.Chem., 59, 2016
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5FDR
 | | Mcl-1 complexed with small molecule inhibitor | | 分子名称: | 5-[[6-chloranyl-3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-7-(3,5-dimethyl-1~{H}-pyrazol-4-yl)-1~{H}-indol-2-yl]carbonylsulfamoyl]furan-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | 著者 | Zhao, B. | | 登録日 | 2015-12-16 | | 公開日 | 2016-03-02 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Discovery of 2-Indole-acylsulfonamide Myeloid Cell Leukemia 1 (Mcl-1) Inhibitors Using Fragment-Based Methods.
J.Med.Chem., 59, 2016
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6H4P
 | | Crystal structure of human KDM4A in complex with compound 16a | | 分子名称: | 8-[4-[2-[4-(3-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Le Bihan, Y.V, van Montfort, R.L.M. | | 登録日 | 2018-07-23 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays.
Eur.J.Med.Chem., 177, 2019
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6H4Y
 | | Crystal structure of human KDM4A in complex with compound 17e | | 分子名称: | 8-[4-[2-[4-[4-(2-morpholin-4-ylethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Le Bihan, Y.V, van Montfort, R.L.M. | | 登録日 | 2018-07-23 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays.
Eur.J.Med.Chem., 177, 2019
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5IF4
 | | Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) inhibitors using Structure-Based Design | | 分子名称: | 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | 著者 | Zhao, B. | | 登録日 | 2016-02-25 | | 公開日 | 2017-01-18 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.392 Å) | | 主引用文献 | Discovery and biological characterization of potent myeloid cell leukemia-1 inhibitors.
FEBS Lett., 591, 2017
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5IEZ
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5WFQ
 | | Ligand-bound Ras:SOS:Ras complex | | 分子名称: | 7-chloranyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine, GTPase HRas, MAGNESIUM ION, ... | | 著者 | Sun, Q, Phan, J, Burns, M.C, Fesik, S.W. | | 登録日 | 2017-07-12 | | 公開日 | 2018-05-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | High-throughput screening identifies small molecules that bind to the RAS:SOS:RAS complex and perturb RAS signaling.
Anal. Biochem., 548, 2018
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