3KRR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3krr by Molmil](/molmil-images/mine/3krr) | Crystal Structure of JAK2 complexed with a potent quinoxaline ATP site inhibitor | 分子名称: | 8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]-2-(1-piperidin-4-yl-1H-pyrazol-4-yl)quinoxaline, Tyrosine-protein kinase JAK2 | 著者 | Tavares, G.A, Gerspacher, M, Kroemer, M, Scheufler, C. | 登録日 | 2009-11-19 | 公開日 | 2010-07-21 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Potent and Selective Inhibition of Polycythemia by the Quinoxaline JAK2 Inhibitor NVP-BSK805 Mol.Cancer Ther., 9, 2010
|
|
3LPB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3lpb by Molmil](/molmil-images/mine/3lpb) | Crystal structure of Jak2 complexed with a potent 2,8-diaryl-quinoxaline inhibitor | 分子名称: | N-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]benzenesulfonamide, Tyrosine-protein kinase JAK2 | 著者 | Tavares, G.A, Pissot-Soldermann, C, Gerspacher, M, Furet, P, Kroemer, M. | 登録日 | 2010-02-05 | 公開日 | 2010-04-28 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery and SAR of potent, orally available 2,8-diaryl-quinoxalines as a new class of JAK2 inhibitors Bioorg.Med.Chem.Lett., 20, 2010
|
|
6NFA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nfa by Molmil](/molmil-images/mine/6nfa) | |
6NEW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6new by Molmil](/molmil-images/mine/6new) | |
6NF1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nf1 by Molmil](/molmil-images/mine/6nf1) | |
8AQ7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8aq7 by Molmil](/molmil-images/mine/8aq7) | KRAS G12C IN COMPLEX WITH GDP AND COMPOUND 9 | 分子名称: | 1-[6-[3-cyclohexyl-5-methyl-4-(5-methyl-1~{H}-indazol-4-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Ostermann, N. | 登録日 | 2022-08-11 | 公開日 | 2022-12-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | JDQ443, a Structurally Novel, Pyrazole-Based, Covalent Inhibitor of KRAS G12C for the Treatment of Solid Tumors. J.Med.Chem., 65, 2022
|
|
8AQ5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8aq5 by Molmil](/molmil-images/mine/8aq5) | KRAS G12C IN COMPLEX WITH GDP AND COMPOUND 16 | 分子名称: | 1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-phenyl-pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Ostermann, N. | 登録日 | 2022-08-11 | 公開日 | 2022-12-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | JDQ443, a Structurally Novel, Pyrazole-Based, Covalent Inhibitor of KRAS G12C for the Treatment of Solid Tumors. J.Med.Chem., 65, 2022
|
|
4ZOP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zop by Molmil](/molmil-images/mine/4zop) | Co-crystal Structure of Lipid Kinase PI3K alpha with a selective phosphatidylinositol-3 kinase alpha inhibitor | 分子名称: | (2S,3R)-N~1~-(8-tert-butyl-4,5-dihydro[1,3]thiazolo[4,5-h]quinazolin-2-yl)-3-methylpyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Knapp, M.S, Elling, R.A. | 登録日 | 2015-05-06 | 公開日 | 2016-05-18 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | Co-crystal Structure of the Lipid Kinase PI3K alpha with a selective phosphatidylinositol-3 kinase alpha inhibitorCo-crystal Structure of the Lipid Kinase PI3K alpha with a selective phosphatidylinositol-3 kinase alpha inhibitor To Be Published
|
|
7R0N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7r0n by Molmil](/molmil-images/mine/7r0n) | KRasG12C in complex with GDP and compound 2 | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Ostermann, N. | 登録日 | 2022-02-02 | 公開日 | 2022-04-27 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Discovery, Preclinical Characterization, and Early Clinical Activity of JDQ443, a Structurally Novel, Potent, and Selective Covalent Oral Inhibitor of KRASG12C. Cancer Discov, 12, 2022
|
|
7R0Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7r0q by Molmil](/molmil-images/mine/7r0q) | KRasG12C in complex with GDP and compound 3 | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Ostermann, N. | 登録日 | 2022-02-02 | 公開日 | 2022-04-27 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Discovery, Preclinical Characterization, and Early Clinical Activity of JDQ443, a Structurally Novel, Potent, and Selective Covalent Oral Inhibitor of KRASG12C. Cancer Discov, 12, 2022
|
|
7R0M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7r0m by Molmil](/molmil-images/mine/7r0m) | KRasG12C in complex with GDP and JDQ443 | 分子名称: | 1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-(1-methylindazol-5-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Ostermann, N. | 登録日 | 2022-02-02 | 公開日 | 2022-04-27 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.611 Å) | 主引用文献 | Discovery, Preclinical Characterization, and Early Clinical Activity of JDQ443, a Structurally Novel, Potent, and Selective Covalent Oral Inhibitor of KRASG12C. Cancer Discov, 12, 2022
|
|