7T0S
 
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7Q7S
 | | Crystal structure of human BCL6 BTB domain in complex with compound 4 | | 分子名称: | 1,2-ETHANEDIOL, 2-chloranyl-4-[[4-(ethylamino)-1,3-dimethyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ... | | 著者 | Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M. | | 登録日 | 2021-11-09 | | 公開日 | 2022-06-15 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Optimizing Shape Complementarity Enables the Discovery of Potent Tricyclic BCL6 Inhibitors.
J.Med.Chem., 65, 2022
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7Q7V
 | | Crystal structure of human BCL6 BTB domain in complex with compound 12a | | 分子名称: | 1,2-ETHANEDIOL, 2-chloranyl-4-[[(2R)-2-cyclopropyl-7-methyl-6-oxidanylidene-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile, B-cell lymphoma 6 protein, ... | | 著者 | Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. | | 登録日 | 2021-11-09 | | 公開日 | 2022-06-15 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Optimizing Shape Complementarity Enables the Discovery of Potent Tricyclic BCL6 Inhibitors.
J.Med.Chem., 65, 2022
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7Q7U
 | | Crystal structure of human BCL6 BTB domain in complex with compound 9a | | 分子名称: | 2-chloranyl-4-[[(2S)-2,7-dimethyl-6-oxidanylidene-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile, B-cell lymphoma 6 protein | | 著者 | Le Bihan, Y.-V, van Montfort, R.L.M. | | 登録日 | 2021-11-09 | | 公開日 | 2022-06-15 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Optimizing Shape Complementarity Enables the Discovery of Potent Tricyclic BCL6 Inhibitors.
J.Med.Chem., 65, 2022
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7Q7R
 | | Crystal structure of human BCL6 BTB domain in complex with compound 1 | | 分子名称: | 2-chloranyl-4-[[(2S)-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-6-oxidanylidene-2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile, B-cell lymphoma 6 protein, CHLORIDE ION | | 著者 | Le Bihan, Y.-V, van Montfort, R.L.M. | | 登録日 | 2021-11-09 | | 公開日 | 2022-06-15 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Optimizing Shape Complementarity Enables the Discovery of Potent Tricyclic BCL6 Inhibitors.
J.Med.Chem., 65, 2022
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7Q7T
 | | Crystal structure of human BCL6 BTB domain in complex with compound 7 | | 分子名称: | 1,2-ETHANEDIOL, 2-chloranyl-4-[[(2S)-2,7-dimethyl-5,6-bis(oxidanylidene)-2,3-dihydro-1H-[1,4]oxazepino[6,5-c]quinolin-10-yl]amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ... | | 著者 | Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. | | 登録日 | 2021-11-09 | | 公開日 | 2022-06-15 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Optimizing Shape Complementarity Enables the Discovery of Potent Tricyclic BCL6 Inhibitors.
J.Med.Chem., 65, 2022
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7QK0
 | | Crystal structure of human BCL6 BTB domain in complex with compound 12a | | 分子名称: | (2~{S})-10-[[5-chloranyl-2-[(3~{S},5~{R})-3-methyl-5-oxidanyl-piperidin-1-yl]pyrimidin-4-yl]amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one, 1,2-ETHANEDIOL, B-cell lymphoma 6 protein, ... | | 著者 | Gunnell, E.A, Le Bihan, Y.-V, van Montfort, R.L.M. | | 登録日 | 2021-12-17 | | 公開日 | 2022-06-15 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Improved Binding Affinity and Pharmacokinetics Enable Sustained Degradation of BCL6 In Vivo .
J.Med.Chem., 65, 2022
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5X9O
 | | Crystal structure of the BCL6 BTB domain in complex with Compound 1a | | 分子名称: | 1,2-ETHANEDIOL, 5-[(2-chloranyl-4-nitro-phenyl)amino]-1,3-dihydrobenzimidazol-2-one, B-cell lymphoma 6 protein, ... | | 著者 | Sogabe, S, Ida, K, Lane, W, Snell, G. | | 登録日 | 2017-03-08 | | 公開日 | 2017-08-16 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Discovery of a novel B-cell lymphoma 6 (BCL6)-corepressor interaction inhibitor by utilizing structure-based drug design
Bioorg. Med. Chem., 25, 2017
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5X4N
 | | Crystal structure of the BCL6 BTB domain in complex with Compound 4 | | 分子名称: | 1,2-ETHANEDIOL, 5-chloro-N4-phenylpyrimidine-2,4-diamine, B-cell lymphoma 6 protein | | 著者 | Sogabe, S, Ida, K, Lane, W, Snell, G. | | 登録日 | 2017-02-13 | | 公開日 | 2017-05-24 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach
J. Med. Chem., 60, 2017
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5X4Q
 | | Crystal structure of the BCL6 BTB domain in complex with Compound 7 | | 分子名称: | 1,2-ETHANEDIOL, 5-[[5-chloranyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one, B-cell lymphoma 6 protein, ... | | 著者 | Sogabe, S, Ida, K, Lane, W, Snell, G. | | 登録日 | 2017-02-13 | | 公開日 | 2017-05-24 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach
J. Med. Chem., 60, 2017
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6XYX
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6XWF
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6XXS
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6XMX
 | | Cryo-EM structure of BCL6 bound to BI-3802 | | 分子名称: | 2-[6-[[5-chloranyl-2-[(3~{S},5~{R})-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxidanylidene-quinolin-3-yl]oxy-~{N}-methyl-ethanamide, B-cell lymphoma 6 protein | | 著者 | Yoon, H, Burman, S.S.R, Hunkeler, M, Nowak, R.P, Fischer, E.S. | | 登録日 | 2020-07-01 | | 公開日 | 2020-11-25 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Small-molecule-induced polymerization triggers degradation of BCL6.
Nature, 588, 2020
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6XZZ
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6Y17
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5X4M
 | | Crystal structure of the BCL6 BTB domain in complex with Compound 1 | | 分子名称: | B-cell lymphoma 6 protein, N-phenyl-1,3,5-triazine-2,4-diamine | | 著者 | Sogabe, S, Ida, K, Lane, W, Snell, G. | | 登録日 | 2017-02-13 | | 公開日 | 2017-05-24 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach
J. Med. Chem., 60, 2017
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5X9P
 | | Crystal structure of the BCL6 BTB domain in complex with Compound 5 | | 分子名称: | 3-[[4-chloranyl-2-nitro-5-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]phenyl]amino]propanoic acid, B-cell lymphoma 6 protein | | 著者 | Sogabe, S, Ida, K, Lane, W, Snell, G. | | 登録日 | 2017-03-08 | | 公開日 | 2017-08-16 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Discovery of a novel B-cell lymphoma 6 (BCL6)-corepressor interaction inhibitor by utilizing structure-based drug design
Bioorg. Med. Chem., 25, 2017
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5X4P
 | | Crystal structure of the BCL6 BTB domain in complex with Compound 6 | | 分子名称: | 5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one, B-cell lymphoma 6 protein | | 著者 | Sogabe, S, Ida, K, Lane, W, Snell, G. | | 登録日 | 2017-02-13 | | 公開日 | 2017-05-24 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach
J. Med. Chem., 60, 2017
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5X4O
 | | Crystal structure of the BCL6 BTB domain in complex with Compound 5 | | 分子名称: | B-cell lymphoma 6 protein, N-methyl-N-{3-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]pyridin-2-yl}methanesulfonamide | | 著者 | Sogabe, S, Ida, K, Lane, W, Snell, G. | | 登録日 | 2017-02-13 | | 公開日 | 2017-05-24 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach
J. Med. Chem., 60, 2017
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7LWE
 | | Crystal structure of the BCL6 BTB domain in complex with OICR-7629 | | 分子名称: | ACETATE ION, B-cell lymphoma 6 protein, CHLORIDE ION, ... | | 著者 | Kuntz, D.A, Prive, G.G. | | 登録日 | 2021-03-01 | | 公開日 | 2022-03-09 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | | 主引用文献 | Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor.
Acs Med.Chem.Lett., 14, 2023
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7LWG
 | | Crystal structure of the BCL6 BTB domain in complex with OICR-12694 | | 分子名称: | 5-{(5S)-1-[2-({3-chloro-6-[(2S)-2,4-dimethylpiperazin-1-yl]-2-fluoropyridin-4-yl}amino)-2-oxoethyl]-4-oxo-4,6,7,8-tetrahydro-1H-dipyrrolo[1,2-a:2',3'-d]pyrimidin-3-yl}-3,4-difluoro-2-hydroxybenzamide, B-cell lymphoma 6 protein, GLYCEROL, ... | | 著者 | Kuntz, D.A, Prive, G.G. | | 登録日 | 2021-03-01 | | 公開日 | 2022-03-09 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor.
Acs Med.Chem.Lett., 14, 2023
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7LWF
 | | Crystal structure of the BCL6 BTB domain in complex with OICR-9320 | | 分子名称: | B-cell lymphoma 6 protein, GLYCEROL, N-(3-chloropyridin-4-yl)-2-[5-(3-cyano-4-hydroxyphenyl)-3-methyl-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide | | 著者 | Kuntz, D.A, Prive, G.G. | | 登録日 | 2021-03-01 | | 公開日 | 2022-03-09 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | | 主引用文献 | Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor.
Acs Med.Chem.Lett., 14, 2023
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7LZS
 | | Crystal structure of the BCL6 BTB domain in complex with OICR-11029 | | 分子名称: | 3-chloro-5-{7-[2-({5-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-3-methyl-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-hydroxybenzamide, B-cell lymphoma 6 protein, DIMETHYL SULFOXIDE, ... | | 著者 | Kuntz, D.A, Prive, G.G. | | 登録日 | 2021-03-10 | | 公開日 | 2022-03-16 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor.
Acs Med.Chem.Lett., 14, 2023
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7LZR
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