4F0F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4f0f by Molmil](/molmil-images/mine/4f0f) | Crystal Structure of the Roco4 Kinase Domain bound to AppCp from D. discoideum | 分子名称: | PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Serine/threonine-protein kinase roco4 | 著者 | Gilsbach, B.K, Vetter, I.R, Wittinghofer, A, Kortholt, A. | 登録日 | 2012-05-04 | 公開日 | 2012-06-27 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Roco kinase structures give insights into the mechanism of Parkinson disease-related leucine-rich-repeat kinase 2 mutations. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
4F09
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4f09 by Molmil](/molmil-images/mine/4f09) | |
4F08
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4f08 by Molmil](/molmil-images/mine/4f08) | |
4EWH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ewh by Molmil](/molmil-images/mine/4ewh) | Co-crystal structure of ACK1 with inhibitor | 分子名称: | 6-{4-[2-(dimethylamino)ethoxy]phenyl}-N-(1,3-dithiolan-2-ylmethyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Activated CDC42 kinase 1 | 著者 | Liu, J, Walker, N, Wang, Z. | 登録日 | 2012-04-27 | 公開日 | 2012-09-19 | 最終更新日 | 2012-10-31 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Synthesis and optimization of substituted furo[2,3-d]-pyrimidin-4-amines and 7H-pyrrolo[2,3-d]pyrimidin-4-amines as ACK1 inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
|
|
4EI4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ei4 by Molmil](/molmil-images/mine/4ei4) | JAK1 kinase (JH1 domain) in complex with compound 20 | 分子名称: | (1R,3R)-3-(2-methylimidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(8H)-yl)cyclohexanol, Tyrosine-protein kinase JAK1 | 著者 | Eigenbrot, C, Steffek, M. | 登録日 | 2012-04-04 | 公開日 | 2012-07-04 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with selectivity over JAK2. J.Med.Chem., 55, 2012
|
|
4EHZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ehz by Molmil](/molmil-images/mine/4ehz) | The Jak1 kinase domain in complex with inhibitor | 分子名称: | 1,2-ETHANEDIOL, 2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK1 | 著者 | Lupardus, P.J, Steffek, M. | 登録日 | 2012-04-04 | 公開日 | 2012-07-04 | 最終更新日 | 2013-01-23 | 実験手法 | X-RAY DIFFRACTION (2.174 Å) | 主引用文献 | Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with selectivity over JAK2. J.Med.Chem., 55, 2012
|
|
4EHG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ehg by Molmil](/molmil-images/mine/4ehg) | B-Raf Kinase Domain in Complex with an Aminopyridimine-based Inhibitor | 分子名称: | N-{2,4-difluoro-3-[({6-[(2-hydroxyethyl)amino]pyrimidin-4-yl}carbamoyl)amino]phenyl}propane-1-sulfonamide, Serine/threonine-protein kinase B-raf | 著者 | Voegtli, W.C. | 登録日 | 2012-04-02 | 公開日 | 2013-04-24 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Potent and selective aminopyrimidine-based B-raf inhibitors with favorable physicochemical and pharmacokinetic properties. J.Med.Chem., 55, 2012
|
|
4EHE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ehe by Molmil](/molmil-images/mine/4ehe) | B-Raf Kinase Domain in Complex with an Aminothienopyrimidine-based Inhibitor | 分子名称: | 4-amino-N-{2,6-difluoro-3-[(propylsulfonyl)amino]phenyl}thieno[3,2-d]pyrimidine-7-carboxamide, Serine/threonine-protein kinase B-raf | 著者 | Voegtli, W.C. | 登録日 | 2012-04-02 | 公開日 | 2013-04-24 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Potent and selective aminopyrimidine-based B-raf inhibitors with favorable physicochemical and pharmacokinetic properties. J.Med.Chem., 55, 2012
|
|
4EEV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4eev by Molmil](/molmil-images/mine/4eev) | Crystal structure of c-Met in complex with LY2801653 | 分子名称: | Hepatocyte growth factor receptor, N-(3-fluoro-4-{[1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl]oxy}phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide | 著者 | Wang, Y, Stout, S.L. | 登録日 | 2012-03-28 | 公開日 | 2013-04-10 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | LY2801653 is an orally bioavailable multi-kinase inhibitor with potent activity against MET, MST1R, and other oncoproteins, and displays anti-tumor activities in mouse xenograft models. Invest New Drugs, 31, 2013
|
|
4EBW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ebw by Molmil](/molmil-images/mine/4ebw) | Structure of Focal Adhesion Kinase catalytic domain in complex with novel allosteric inhibitor | 分子名称: | 1-ethyl-8-(4-ethylphenyl)-5-methyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide, Focal adhesion kinase 1 | 著者 | Iwatani, M, Iwata, H, Okabe, A, Skene, R.J, Tomita, N, Hayashi, Y, Aramaki, Y, Hosfield, D.J, Hori, A, Baba, A, Miki, H. | 登録日 | 2012-03-25 | 公開日 | 2012-07-25 | 最終更新日 | 2013-03-27 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Discovery and characterization of novel allosteric FAK inhibitors. Eur.J.Med.Chem., 61, 2013
|
|
4EBV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ebv by Molmil](/molmil-images/mine/4ebv) | Structure of Focal Adhesion Kinase catalytic domain in complex with novel allosteric inhibitor | 分子名称: | 8-(4-ethylphenyl)-5-methyl-2,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide, Focal adhesion kinase 1, ISOPROPYL ALCOHOL | 著者 | Skene, R.J, Hosfield, D.J. | 登録日 | 2012-03-25 | 公開日 | 2012-08-22 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Discovery and characterization of novel allosteric FAK inhibitors. Eur.J.Med.Chem., 61, 2013
|
|
4E93
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4e93 by Molmil](/molmil-images/mine/4e93) | Crystal structure of human Feline Sarcoma Viral Oncogene Homologue (v-FES)in complex with TAE684 | 分子名称: | 5-CHLORO-N-[2-METHOXY-4-[4-(4-METHYLPIPERAZIN-1-YL)PIPERIDIN-1-YL]PHENYL]-N'-(2-PROPAN-2-YLSULFONYLPHENYL)PYRIMIDINE-2,4-DIAMINE, Tyrosine-protein kinase Fes/Fps | 著者 | Filippakopoulos, P, Salah, E, Miduturu, C.V, Fedorov, O, Cooper, C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2012-03-20 | 公開日 | 2012-04-18 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Small-Molecule Inhibitors of the c-Fes Protein-Tyrosine Kinase. Chem.Biol., 19, 2012
|
|
4E6Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4e6q by Molmil](/molmil-images/mine/4e6q) | |
4E6D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4e6d by Molmil](/molmil-images/mine/4e6d) | JAK2 kinase (JH1 domain) triple mutant in complex with compound 7 | 分子名称: | 3-[(3R)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)piperidin-1-yl]-3-oxopropanenitrile, GLYCEROL, Tyrosine-protein kinase JAK2 | 著者 | Murray, J.M. | 登録日 | 2012-03-15 | 公開日 | 2012-05-30 | 最終更新日 | 2023-03-01 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors. J.Med.Chem., 55, 2012
|
|
4E5W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4e5w by Molmil](/molmil-images/mine/4e5w) | JAK1 kinase (JH1 domain) in complex with compound 26 | 分子名称: | DI(HYDROXYETHYL)ETHER, Tyrosine-protein kinase JAK1, [4-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)piperidin-1-yl][(2S)-1-(propan-2-yl)pyrrolidin-2-yl]methanone | 著者 | Murray, J.M. | 登録日 | 2012-03-14 | 公開日 | 2012-05-30 | 最終更新日 | 2012-07-11 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors. J.Med.Chem., 55, 2012
|
|
4E4X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4e4x by Molmil](/molmil-images/mine/4e4x) | Crystal Structure of B-Raf Kinase Domain in Complex with a Dihydropyrido[2,3-d]pyrimidinone-based Inhibitor | 分子名称: | N-(2,4-difluoro-3-{2-[(3-hydroxypropyl)amino]-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl}phenyl)propane-1-sulfonamide, Serine/threonine-protein kinase B-raf | 著者 | Voegtli, W.C, Sturgis, H.L. | 登録日 | 2012-03-13 | 公開日 | 2012-05-09 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | 主引用文献 | The discovery of potent and selective pyridopyrimidin-7-one based inhibitors of B-Raf(V600E) kinase. Bioorg.Med.Chem.Lett., 22, 2012
|
|
4E4N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4e4n by Molmil](/molmil-images/mine/4e4n) | JAK1 kinase (JH1 domain) in complex with compound 49 | 分子名称: | Tyrosine-protein kinase JAK1, tert-butyl [(1R,3R)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)cyclopentyl]carbamate | 著者 | Eigenbrot, C. | 登録日 | 2012-03-13 | 公開日 | 2012-05-30 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors. J.Med.Chem., 55, 2012
|
|
4E4M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4e4m by Molmil](/molmil-images/mine/4e4m) | JAK2 kinase (JH1 domain) in complex with compound 30 | 分子名称: | 1-[4-methyl-1-(methylsulfonyl)piperidin-4-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK2 | 著者 | Eigenbrot, C. | 登録日 | 2012-03-13 | 公開日 | 2012-05-30 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors. J.Med.Chem., 55, 2012
|
|
4E4L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4e4l by Molmil](/molmil-images/mine/4e4l) | JAK1 kinase (JH1 domain) in complex with compound 30 | 分子名称: | 1-[4-methyl-1-(methylsulfonyl)piperidin-4-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK1 | 著者 | Eigenbrot, C. | 登録日 | 2012-03-13 | 公開日 | 2012-05-30 | 最終更新日 | 2012-07-11 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors. J.Med.Chem., 55, 2012
|
|
4E26
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4e26 by Molmil](/molmil-images/mine/4e26) | BRAF in complex with an organic inhibitor 7898734 | 分子名称: | 5-chloro-7-[(R)-furan-2-yl(pyridin-2-ylamino)methyl]quinolin-8-ol, Serine/threonine-protein kinase B-raf | 著者 | Qin, J, Xie, P, Ventocilla, C, Zhou, G, Vultur, A, Chen, Q, Herlyn, M, Winkler, J, Marmorstein, R. | 登録日 | 2012-03-07 | 公開日 | 2012-05-09 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Identification of a Novel Family of BRAF(V600E) Inhibitors. J.Med.Chem., 55, 2012
|
|
4E20
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4e20 by Molmil](/molmil-images/mine/4e20) | |
4E1Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4e1z by Molmil](/molmil-images/mine/4e1z) | |
4DGG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dgg by Molmil](/molmil-images/mine/4dgg) | c-SRC kinase domain in complex with RM-1-176 | 分子名称: | 3-{6-[(3-chlorobenzyl)oxy]naphthalen-2-yl}-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src | 著者 | Merritt, E.A, Larson, E.T. | 登録日 | 2012-01-25 | 公開日 | 2012-10-10 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Active site profiling reveals coupling between domains in SRC-family kinases. Nat.Chem.Biol., 9, 2013
|
|
4DFN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dfn by Molmil](/molmil-images/mine/4dfn) | Crystal structure of spleen tyrosine kinase complexed with an adamantylpyrazine inhibitor | 分子名称: | 3-amino-6-[3-(1-methyl-1H-pyrazol-4-yl)phenyl]-N-[(1R,2r,3S,5s,7s)-5-hydroxyadamantan-2-yl]pyrazine-2-carboxamide, Tyrosine-protein kinase SYK | 著者 | Lopez, M, Segarra, V, Vidal, B, Wenzkowski, C, Jestel, A, Krapp, S, Blaesse, M, Nagel, S, Schreiner, P. | 登録日 | 2012-01-24 | 公開日 | 2012-04-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Pyrazine-based Syk kinase inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
|
|
4DFL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dfl by Molmil](/molmil-images/mine/4dfl) | Crystal structure of spleen tyrosine kinase complexed with a sulfonamidopyrazine piperidine inhibitor | 分子名称: | 1,2-ETHANEDIOL, 3-amino-6-{3-[(methylsulfonyl)amino]phenyl}-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide, SULFATE ION, ... | 著者 | Lopez, M, Segarra, V, Vidal, B, Wenzkowski, C, Jestel, A, Krapp, S, Blaesse, M, Nagel, S, Schreiner, P. | 登録日 | 2012-01-24 | 公開日 | 2012-04-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Pyrazine-based Syk kinase inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
|
|