6JI3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ji3 by Molmil](/molmil-images/mine/6ji3) | BRD4-BD1 bound with ligand 103 | 分子名称: | (3~{R})-4-cyclopropyl-1,3-dimethyl-6-(1~{H}-pyrrol-2-yl)-3~{H}-quinoxalin-2-one, Bromodomain-containing protein 4 | 著者 | Cao, D.Y, Li, Y.L, Du, Z.Y, Li, J, Xiong, B. | 登録日 | 2019-02-20 | 公開日 | 2020-02-26 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | brd4-bd1 bound with ligand 103 To Be Published
|
|
6JI4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ji4 by Molmil](/molmil-images/mine/6ji4) | brd4-bd1 bound with ligand 138 | 分子名称: | (3R)-4-cyclopropyl-1,3-dimethyl-6-[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-3,4-dihydroquinoxalin-2(1H)-one, Bromodomain-containing protein 4 | 著者 | Cao, D.Y, Li, Y.L, Du, Z.Y, Li, J, Xiong, B. | 登録日 | 2019-02-20 | 公開日 | 2020-02-26 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | brd4-bd1 bound with ligand 138 To Be Published
|
|
6JI5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ji5 by Molmil](/molmil-images/mine/6ji5) | brd4-bd1 bound with ligand 167 | 分子名称: | (3R)-4-cyclopentyl-6-[1-(2,4-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)-1H-1,2,4-triazol-5-yl]-1,3-dimethyl-3,4-dihydroquinoxalin-2(1H)-one, Bromodomain-containing protein 4 | 著者 | Cao, D.Y, Li, Y.L, Du, Z.Y, Li, J, Xiong, B. | 登録日 | 2019-02-20 | 公開日 | 2020-02-26 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | brd4-bd1 bound with ligand 167 To Be Published
|
|
4DON
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4don by Molmil](/molmil-images/mine/4don) | Brd4 Bromodomain 1 complex with a fragment 3,4-Dihydro-3-methyl-2(1H)-quinazolinon | 分子名称: | 3-methyl-3,4-dihydroquinazolin-2(1H)-one, Bromodomain-containing protein 4 | 著者 | Xiong, B, Cao, D.Y, Chen, W.Y, Chen, T.T, Xu, Y.C, Shen, J.K. | 登録日 | 2012-02-09 | 公開日 | 2013-02-13 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Brd4 Bromodomain 1 complex with a fragment 3,4-Dihydro-3-methyl-2(1H)-quinazolinon To be Published
|
|
4QR3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qr3 by Molmil](/molmil-images/mine/4qr3) | Brd4 Bromodomain 1 complex with its novel inhibitors | 分子名称: | Bromodomain-containing protein 4, N-cyclopentyl-3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide | 著者 | Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C. | 登録日 | 2014-06-30 | 公開日 | 2015-07-01 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.374 Å) | 主引用文献 | Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization J.Med.Chem., 58, 2015
|
|
4QR4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qr4 by Molmil](/molmil-images/mine/4qr4) | Brd4 Bromodomain 1 complex with its novel inhibitors | 分子名称: | 2-chloro-N-cyclopentyl-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide, Bromodomain-containing protein 4 | 著者 | Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C. | 登録日 | 2014-06-30 | 公開日 | 2015-07-01 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization J.Med.Chem., 58, 2015
|
|
4QR5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qr5 by Molmil](/molmil-images/mine/4qr5) | Brd4 Bromodomain 1 complex with its novel inhibitors | 分子名称: | Bromodomain-containing protein 4, N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide | 著者 | Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C. | 登録日 | 2014-06-30 | 公開日 | 2015-07-01 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization J.Med.Chem., 58, 2015
|
|
7VLN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vln by Molmil](/molmil-images/mine/7vln) | NSD2-PWWP1 domain bound with an imidazol-5-yl benzonitrile compound | 分子名称: | 4-[5-[4-(aminomethyl)-2,6-dimethoxy-phenyl]-3-methyl-imidazol-4-yl]benzenecarbonitrile, Histone-lysine N-methyltransferase NSD2 | 著者 | Cao, D.Y, Li, Y.L, Li, J, Xiong, B. | 登録日 | 2021-10-05 | 公開日 | 2022-07-06 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.09 Å) | 主引用文献 | Structure-Based Discovery of a Series of NSD2-PWWP1 Inhibitors. J.Med.Chem., 65, 2022
|
|
7FAJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7faj by Molmil](/molmil-images/mine/7faj) | CARM1 bound with compound 43 | 分子名称: | Histone-arginine methyltransferase CARM1, N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-phenylazanyl-pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine | 著者 | Cao, D.Y, Li, J, Xiong, B. | 登録日 | 2021-07-06 | 公開日 | 2021-11-24 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.2450726 Å) | 主引用文献 | Structure-Based Discovery of Potent CARM1 Inhibitors for Solid Tumor and Cancer Immunology Therapy. J.Med.Chem., 64, 2021
|
|
7FAI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fai by Molmil](/molmil-images/mine/7fai) | CARM1 bound with compound 9 | 分子名称: | Histone-arginine methyltransferase CARM1, N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine | 著者 | Cao, D.Y, Li, J, Xiong, B. | 登録日 | 2021-07-06 | 公開日 | 2021-11-24 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.09749269 Å) | 主引用文献 | Structure-Based Discovery of Potent CARM1 Inhibitors for Solid Tumor and Cancer Immunology Therapy. J.Med.Chem., 64, 2021
|
|
4HXN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hxn by Molmil](/molmil-images/mine/4hxn) | Brd4 Bromodomain 1 complex with 4-(2-FLUOROPHENYL)-1,3-THIAZOL-2(3H)-ONE inhibitor | 分子名称: | 4-(2-fluorophenyl)-1,3-thiazol-2(3H)-one, Bromodomain-containing protein 4 | 著者 | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | 登録日 | 2012-11-12 | 公開日 | 2013-04-03 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J.Med.Chem., 56, 2013
|
|
4HXP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hxp by Molmil](/molmil-images/mine/4hxp) | Brd4 Bromodomain 1 complex with 4-(2-OXO-1,3-OXAZOLIDIN-3-YL)BENZAMIDE inhibitor | 分子名称: | 4-(2-oxo-1,3-oxazolidin-3-yl)benzamide, Bromodomain-containing protein 4 | 著者 | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | 登録日 | 2012-11-12 | 公開日 | 2013-04-03 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J.Med.Chem., 56, 2013
|
|
4HXO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hxo by Molmil](/molmil-images/mine/4hxo) | Brd4 Bromodomain 1 complex with 3-{[(3-METHYL-1,2-OXAZOL-5-YL)METHYL]SULFANYL}[1,2,4]TRIAZOLO[4,3-A]PYRIDINE inhibitor | 分子名称: | 3-{[(3-methyl-1,2-oxazol-5-yl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine, Bromodomain-containing protein 4 | 著者 | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | 登録日 | 2012-11-12 | 公開日 | 2013-04-03 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J.Med.Chem., 56, 2013
|
|
4HXK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hxk by Molmil](/molmil-images/mine/4hxk) | Brd4 Bromodomain 1 complex with 6,7-DIHYDROTHIENO[3,2-C]PYRIDIN-5(4H)-YL(1H-IMIDAZOL-1-YL)METHANONE inhibitor | 分子名称: | 6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl(1H-imidazol-1-yl)methanone, Bromodomain-containing protein 4 | 著者 | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | 登録日 | 2012-11-12 | 公開日 | 2013-04-03 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J.Med.Chem., 56, 2013
|
|
4HXR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hxr by Molmil](/molmil-images/mine/4hxr) | Brd4 Bromodomain 1 complex with N-[3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)PHENYL]THIOPHENE-2-SULFONAMIDE inhibitor | 分子名称: | Bromodomain-containing protein 4, N-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide | 著者 | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | 登録日 | 2012-11-12 | 公開日 | 2013-04-03 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J.Med.Chem., 56, 2013
|
|
4HXS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hxs by Molmil](/molmil-images/mine/4hxs) | Brd4 Bromodomain 1 complex with N-[3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)PHENYL]-1-PHENYLMETHANESULFONAMIDE inhibitor | 分子名称: | Bromodomain-containing protein 4, N-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]-1-phenylmethanesulfonamide | 著者 | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | 登録日 | 2012-11-12 | 公開日 | 2013-04-03 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J.Med.Chem., 56, 2013
|
|
4HXM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hxm by Molmil](/molmil-images/mine/4hxm) | Brd4 Bromodomain 1 complex with N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}BUTANAMIDE inhibitor | 分子名称: | Bromodomain-containing protein 4, N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}butanamide | 著者 | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | 登録日 | 2012-11-12 | 公開日 | 2013-04-03 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J.Med.Chem., 56, 2013
|
|
4HXL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hxl by Molmil](/molmil-images/mine/4hxl) | Brd4 Bromodomain 1 complex with 3-CYCLOHEXYL-N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}PROPANAMIDE inhibitor | 分子名称: | 3-cyclohexyl-N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}propanamide, Bromodomain-containing protein 4 | 著者 | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | 登録日 | 2012-11-12 | 公開日 | 2013-04-03 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J.Med.Chem., 56, 2013
|
|
6IZQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6izq by Molmil](/molmil-images/mine/6izq) | PRMT4 bound with a bicyclic compound | 分子名称: | (2R)-1-(methylamino)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-ol, Histone-arginine methyltransferase CARM1 | 著者 | Xiong, B, Cao, D.Y, Guo, Z.H, Li, Y.L, Li, J, Huang, X, Shen, J.K. | 登録日 | 2018-12-20 | 公開日 | 2019-12-25 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.449 Å) | 主引用文献 | Design and Synthesis of Potent, Selective Inhibitors of Protein Arginine Methyltransferase 4 against Acute Myeloid Leukemia. J.Med.Chem., 62, 2019
|
|