PDB: 2407 件ウェブページステータス検索Chemie searchBIRD

---

6DAK	Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design 分子名称: DIMETHYL SULFOXIDE, N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}benzamide, WD repeat-containing protein 5 著者 Phan, J, Fesik, S.W. 登録日 2018-05-01 公開日 2018-09-05 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design. J. Med. Chem., 61, 2018
6DY7	WDR5 in complex with a WIN site inhibitor 分子名称: DIMETHYL SULFOXIDE, N-[3-(2,4-dichlorophenoxy)propyl]-1H-imidazol-2-amine, SULFATE ION, ... 著者 Phan, J, Wang, F, Fesik, S.W. 登録日 2018-07-01 公開日 2019-03-13 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity. Cell Rep, 26, 2019
6E1Y	Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design 分子名称: N-[(1S)-1-(3-chlorophenyl)ethyl]-3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}benzamide, WD repeat-containing protein 5 著者 Phan, J, Fesik, S.W. 登録日 2018-07-10 公開日 2019-03-13 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.219 Å) 主引用文献 Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity. Cell Rep, 26, 2019
6DYA	WDR5 in complex with a WIN site inhibitor 分子名称: DIMETHYL SULFOXIDE, N-[(3,5-dichlorophenyl)methyl]-3-[(1H-imidazol-1-yl)methyl]benzamide, SULFATE ION, ... 著者 Phan, J, Wang, F, Fesik, S.W. 登録日 2018-07-01 公開日 2019-03-13 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.56 Å) 主引用文献 Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity. Cell Rep, 26, 2019
6E1Z	Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity 分子名称: 5-[(1H-imidazol-1-yl)methyl]furan-2-carboxylic acid, WD repeat-containing protein 5 著者 Phan, J, Fesik, S.W. 登録日 2018-07-10 公開日 2019-03-13 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity. Cell Rep, 26, 2019
6E23	Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methylpyridin-3-yl)-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}benzamide, WD repeat-containing protein 5 著者 Phan, J, Fesik, S.W. 登録日 2018-07-10 公開日 2019-03-13 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.66 Å) 主引用文献 Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity. Cell Rep, 26, 2019
6E22	Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity 分子名称: 3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide, SULFATE ION, WD repeat-containing protein 5 著者 Phan, J, Fesik, S.W. 登録日 2018-07-10 公開日 2019-03-13 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity. Cell Rep, 26, 2019
6E29	Crystal structure of Myceliophteria_thermophila Cps50 (Swd1) beta-propeller domain 分子名称: SWD1-like protein 著者 Joshi, M, Yang, Y, Brunzelle, J.S, Couture, J.F. 登録日 2018-07-10 公開日 2018-07-25 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.818 Å) 主引用文献 Structure and Conformational Dynamics of a COMPASS Histone H3K4 Methyltransferase Complex. Cell, 174, 2018
7P3J	EED in complex with compound 4 分子名称: 8-[6-[(dimethylamino)methyl]-2-methyl-pyridin-3-yl]-5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-pyrido[3,4-d]pyridazin-1-one, MAGNESIUM ION, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... 著者 Read, J.A. 登録日 2021-07-07 公開日 2021-12-08 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 Diverse, Potent, and Efficacious Inhibitors That Target the EED Subunit of the Polycomb Repressive Complex 2 Methyltransferase. J.Med.Chem., 64, 2021
7P3C	EED in complex with compound 4 分子名称: N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, N-[5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzamide, Polycomb protein EED 著者 Read, J.A. 登録日 2021-07-07 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 Diverse, Potent, and Efficacious Inhibitors That Target the EED Subunit of the Polycomb Repressive Complex 2 Methyltransferase. J.Med.Chem., 64, 2021
7P3G	EED in complex with compound 4 分子名称: N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, N5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-N8-methyl-N8-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine-5,8-diamine, Polycomb protein EED 著者 Read, J.A. 登録日 2021-07-07 公開日 2021-12-08 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.39 Å) 主引用文献 Diverse, Potent, and Efficacious Inhibitors That Target the EED Subunit of the Polycomb Repressive Complex 2 Methyltransferase. J.Med.Chem., 64, 2021
6KM7	The structural basis for the internal interaction in RBBP5 分子名称: HEXAETHYLENE GLYCOL, NONAETHYLENE GLYCOL, Retinoblastoma-binding protein 5, ... 著者 Han, J, Li, T, Chen, Y. 登録日 2019-07-31 公開日 2019-10-02 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (1.801 Å) 主引用文献 The internal interaction in RBBP5 regulates assembly and activity of MLL1 methyltransferase complex. Nucleic Acids Res., 47, 2019
6N31	WD repeats of human WDR12 分子名称: Ribosome biogenesis protein WDR12, UNKNOWN ATOM OR ION 著者 Halabelian, L, Zeng, H, Tempel, W, Li, Y, Seitova, A, Hutchinson, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) 登録日 2018-11-14 公開日 2018-12-12 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 WD repeats of human WDR12 To Be Published
6OI0	Crystal structure of human WDR5 in complex with L-arginine 分子名称: ARGININE, GLYCEROL, SULFATE ION, ... 著者 Lorton, B.M, Harijan, R.K, Burgos, E, Bonanno, J.B, Almo, S.C, Shechter, D. 登録日 2019-04-08 公開日 2020-04-01 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 A Binary Arginine Methylation Switch on Histone H3 Arginine 2 Regulates Its Interaction with WDR5. Biochemistry, 59, 2020
6SFC	EED in complex with a methyl-thiazole 分子名称: CALCIUM ION, N-(1,3-benzodioxol-4-ylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... 著者 Read, J.A. 登録日 2019-08-01 公開日 2019-09-25 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Rapid Identification of Novel Allosteric PRC2 Inhibitors. Acs Chem.Biol., 14, 2019
6SFB	EED in complex with a triazolopyrimidine 分子名称: GLYCEROL, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, Polycomb protein EED 著者 Read, J.A. 登録日 2019-08-01 公開日 2019-09-25 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.52 Å) 主引用文献 Rapid Identification of Novel Allosteric PRC2 Inhibitors. Acs Chem.Biol., 14, 2019
6U80	Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction 分子名称: 5-bromo-N-(4-hydroxy[1,1'-biphenyl]-3-yl)-2-methoxybenzene-1-sulfonamide, WD repeat-containing protein 5 著者 Zhao, B, Wang, F. 登録日 2019-09-04 公開日 2019-12-04 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the WD Repeat-Containing Protein 5-MYC Protein-Protein Interaction. J.Med.Chem., 62, 2019
6UFX	WD repeat-containing protein 5 complexed with N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide (compound 13) 分子名称: N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide, WD repeat-containing protein 5 著者 Rietz, T.A, Fesik, S.W, Zhao, B. 登録日 2019-09-25 公開日 2020-01-01 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.015 Å) 主引用文献 Discovery and Structure-Based Optimization of Potent and Selective WD Repeat Domain 5 (WDR5) Inhibitors Containing a Dihydroisoquinolinone Bicyclic Core. J.Med.Chem., 63, 2020
6UCS	Discovery and Structure-Based optimization of potent and selective WDR5 inhibitors containing a dihydroisoquinolinone bicyclic core 分子名称: 2-amino-3-{[(5P)-2-[(3,5-dimethoxyphenyl)methyl]-5-(4-fluoro-2-methylphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-1-methyl-1H-imidazol-3-ium, WD repeat-containing protein 5 著者 Zhao, B. 登録日 2019-09-17 公開日 2020-01-01 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Discovery and Structure-Based Optimization of Potent and Selective WD Repeat Domain 5 (WDR5) Inhibitors Containing a Dihydroisoquinolinone Bicyclic Core. J.Med.Chem., 63, 2020
6U5Y	Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction 分子名称: 3-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-5-(1-cyanocyclobutyl)-2-hydroxy-N-methylbenzamide, WD repeat-containing protein 5 著者 Zhao, B, Wang, F. 登録日 2019-08-28 公開日 2019-12-04 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.532 Å) 主引用文献 Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the WD Repeat-Containing Protein 5-MYC Protein-Protein Interaction. J.Med.Chem., 62, 2019
6UIF	Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction 分子名称: 4-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-1-cyclopentyl-N-methyl-1H-imidazole-2-carboxamide, WD repeat domain 5 著者 Zhao, B. 登録日 2019-09-30 公開日 2020-04-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.603 Å) 主引用文献 Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 63, 2020
6UIK	Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction 分子名称: 5-bromo-3-chloro-N-(1-cyclopentyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide, WD repeat domanin 5 著者 Zhao, B. 登録日 2019-10-01 公開日 2020-04-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 63, 2020
6U5M	Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction 分子名称: 5-bromo-2-hydroxy-N-[3-(methylsulfonyl)-5-(pentafluoro-lambda~6~-sulfanyl)phenyl]benzene-1-sulfonamide, WD repeat-containing protein 5 著者 Zhao, B, Wang, F. 登録日 2019-08-28 公開日 2019-12-04 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the WD Repeat-Containing Protein 5-MYC Protein-Protein Interaction. J.Med.Chem., 62, 2019
6U8B	Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction 分子名称: 3-{[(5-bromo-2-methoxyphenyl)sulfonyl]amino}-5-chloro-2-hydroxybenzoic acid, WD repeat-containing protein 5 著者 Zhao, B, Wang, F. 登録日 2019-09-04 公開日 2019-12-04 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.261 Å) 主引用文献 Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the WD Repeat-Containing Protein 5-MYC Protein-Protein Interaction. J.Med.Chem., 62, 2019
6UJH	Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction 分子名称: (2R)-2-(4-chlorophenyl)-3-oxobutanenitrile, DIMETHYL SULFOXIDE, SULFATE ION, ... 著者 Phan, J, Fesik, S.W. 登録日 2019-10-03 公開日 2020-04-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.493 Å) 主引用文献 Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 63, 2020

<12345678910111213141516>