PDB: 116 件ウェブページステータス検索Chemie searchBIRD

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7OKK	Crystal structure of human BCL6 BTB domain in complex with compound 12e 分子名称: 1,2-ETHANEDIOL, 2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-ethanamide, ALA-TRP-VAL-ILE-PRO-ALA, ... 著者 Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M. 登録日 2021-05-17 公開日 2021-12-08 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Into Deep Water: Optimizing BCL6 Inhibitors by Growing into a Solvated Pocket. J.Med.Chem., 64, 2021
7OKI	Crystal structure of human BCL6 BTB domain in complex with compound 12b 分子名称: (2R)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-propanamide, 1,2-ETHANEDIOL, ALA-TRP-VAL-ILE-PRO-ALA, ... 著者 Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M. 登録日 2021-05-17 公開日 2021-12-08 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.61 Å) 主引用文献 Into Deep Water: Optimizing BCL6 Inhibitors by Growing into a Solvated Pocket. J.Med.Chem., 64, 2021
7OKL	Crystal structure of human BCL6 BTB domain in complex with compound 13e 分子名称: 1,2-ETHANEDIOL, 2-chloranyl-4-[[1-methyl-2-oxidanylidene-4-[[(1R)-1-pyrimidin-2-ylethyl]amino]quinolin-6-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 2021-05-17 公開日 2021-12-08 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Into Deep Water: Optimizing BCL6 Inhibitors by Growing into a Solvated Pocket. J.Med.Chem., 64, 2021
7ZWU	Crystal structure of human BCL6 BTB domain in complex with compound 15 分子名称: 1,2-ETHANEDIOL, ALA-TRP-VAL-ILE-PRO-ALA, B-cell lymphoma 6 protein, ... 著者 Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M. 登録日 2022-05-19 公開日 2022-11-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.56 Å) 主引用文献 Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays. Sci Rep, 12, 2022
7ZWT	Crystal structure of human BCL6 BTB domain in complex with compound 14 分子名称: 1,2-ETHANEDIOL, 2-[(2-chlorophenyl)amino]-~{N}-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide, B-cell lymphoma 6 protein, ... 著者 Gunnell, E.A, Le Bihan, Y.-V, van Montfort, R.L.M. 登録日 2022-05-19 公開日 2022-11-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays. Sci Rep, 12, 2022
7ZWN	Crystal structure of human BCL6 BTB domain in complex with a WVIP peptide 分子名称: 1,2-ETHANEDIOL, ALA-TRP-VAL-ILE-PRO-ALA, B-cell lymphoma 6 protein, ... 著者 Shetty, K, Le Bihan, Y.-V, van Montfort, R.L.M. 登録日 2022-05-19 公開日 2022-11-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays. Sci Rep, 12, 2022
7ZWW	Crystal structure of human BCL6 BTB domain in complex with compound 18 分子名称: 1,2-ETHANEDIOL, 1,3-dimethyl-5-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzimidazol-2-one, B-cell lymphoma 6 protein 著者 Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. 登録日 2022-05-19 公開日 2022-11-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays. Sci Rep, 12, 2022
7ZWR	Crystal structure of human BCL6 BTB domain in complex with compound 11 分子名称: 1,2-ETHANEDIOL, 2-[2-[[(6~{S})-3-cyano-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]ethanoylamino]ethanoic acid, ALA-TRP-VAL-ILE-PRO-ALA, ... 著者 Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M. 登録日 2022-05-19 公開日 2022-11-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.47 Å) 主引用文献 Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays. Sci Rep, 12, 2022
7ZWQ	Crystal structure of human BCL6 BTB domain in complex with compound 10 分子名称: 1,2-ETHANEDIOL, B-cell lymphoma 6 protein, DIMETHYL SULFOXIDE, ... 著者 Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. 登録日 2022-05-19 公開日 2022-11-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays. Sci Rep, 12, 2022
7ZWZ	Crystal structure of human BCL6 BTB domain in complex with compound 22 分子名称: 1,2-ETHANEDIOL, ALA-TRP-VAL-ILE-PRO-ALA, B-cell lymphoma 6 protein, ... 著者 Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M. 登録日 2022-05-19 公開日 2022-11-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays. Sci Rep, 12, 2022
7ZWS	Crystal structure of human BCL6 BTB domain in complex with compound 13 分子名称: 1,2-ETHANEDIOL, 2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-2-phenyl-ethanoic acid, ALA-TRP-VAL-ILE-PRO-ALA, ... 著者 Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M. 登録日 2022-05-19 公開日 2022-11-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays. Sci Rep, 12, 2022
7ZWO	Crystal structure of human BCL6 BTB domain in complex with compound 2 分子名称: (5~{S},7~{R})-5-(4-chlorophenyl)-7-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine, 1,2-ETHANEDIOL, ALA-TRP-VAL-ILE-PRO-ALA, ... 著者 Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M. 登録日 2022-05-19 公開日 2022-11-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.39 Å) 主引用文献 Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays. Sci Rep, 12, 2022
7ZWX	Crystal structure of human BCL6 BTB domain in complex with compound 19 分子名称: 1,2-ETHANEDIOL, 6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1-~{tert}-butyl-5~{H}-pyrazolo[3,4-d]pyrimidin-4-one, ALA-TRP-VAL-ILE-PRO-ALA, ... 著者 Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M. 登録日 2022-05-19 公開日 2022-11-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.38 Å) 主引用文献 Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays. Sci Rep, 12, 2022
7ZWV	Crystal structure of human BCL6 BTB domain in complex with compound 17 分子名称: 1,2-ETHANEDIOL, 1,3-dimethyl-5-[[6-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]benzimidazol-2-one, ALA-TRP-VAL-ILE-PRO-ALA, ... 著者 Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M. 登録日 2022-05-19 公開日 2022-11-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.52 Å) 主引用文献 Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays. Sci Rep, 12, 2022
7ZWP	Crystal structure of human BCL6 BTB domain in complex with compound 7 分子名称: 1,2-ETHANEDIOL, ALA-TRP-VAL-ILE-PRO-ALA, B-cell lymphoma 6 protein, ... 著者 Shetty, K, Le Bihan, Y.-V, van Montfort, R.L.M. 登録日 2022-05-19 公開日 2022-11-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays. Sci Rep, 12, 2022
7ZWY	Crystal structure of human BCL6 BTB domain in complex with compound 21 分子名称: 1,2-ETHANEDIOL, 2-chloranyl-4-[(phenylmethyl)amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ... 著者 Shetty, K, Le Bihan, Y.-V, van Montfort, R.L.M. 登録日 2022-05-19 公開日 2022-11-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays. Sci Rep, 12, 2022
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
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
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
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
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
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
7T0U	Crystal structure of the BCL6 BTB domain in complex with OICR-12387 分子名称: 3-chloro-5-{7-[2-({5-chloro-2-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-4-yl}amino)-2-oxoethyl]-3-methyl-4-oxo-2-(trifluoromethyl)-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-hydroxybenzamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... 著者 Kuntz, D.A, Prive, G.G. 登録日 2021-11-30 公開日 2022-11-09 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 Crystal structure of the BCL6 BTB domain in complex with OICR-12387 To Be Published
7T0S	Crystal structure of the BCL6 BTB domain in complex with OICR-11864 分子名称: 3-chloro-5-{1-[2-({5-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl}-2-hydroxybenzamide, CHLORIDE ION, GLYCEROL, ... 著者 Kuntz, D.A, Prive, G.G. 登録日 2021-11-30 公開日 2022-12-14 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 Crystal structure of the BCL6 BTB domain in complex with OICR-11864 To Be Published
7T0T	Crystal structure of the BCL6 BTB domain in complex with OICR-10562 分子名称: DIMETHYL SULFOXIDE, Isoform 2 of B-cell lymphoma 6 protein, N-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-[5-(3-cyano-4-hydroxy-5-methylphenyl)-3-methyl-2-(1-methyl-1H-pyrazol-4-yl)-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 2021-11-30 公開日 2022-12-14 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal structure of the BCL6 BTB domain in complex with OICR-10562 To Be Published

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