4QD6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qd6 by Molmil](/molmil-images/mine/4qd6) | ITK kinase domain in complex with inhibitor compound | 分子名称: | Tyrosine-protein kinase ITK/TSK, trans-4-({6-[(5-phenyl-1H-pyrazol-3-yl)amino]-4-(phenylsulfonyl)pyridin-2-yl}amino)cyclohexanol | 著者 | McEwan, P.A, Barker, J.J, Eigenbrot, C. | 登録日 | 2014-05-13 | 公開日 | 2015-01-14 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Design, synthesis and structure-activity relationships of a novel class of sulfonylpyridine inhibitors of Interleukin-2 inducible T-cell kinase (ITK). Bioorg.Med.Chem.Lett., 24, 2014
|
|
4Q9S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4q9s by Molmil](/molmil-images/mine/4q9s) | Crystal Structure of human Focal Adhesion Kinase (Fak) bound to Compound1 (3,5-DIHYDRO[1,2,4]TRIAZINO[3,4-C][1,4]BENZOXAZIN-2(1H)-ONE) | 分子名称: | 3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, Focal adhesion kinase 1 | 著者 | Argiriadi, M.A, George, D.M. | 登録日 | 2014-05-01 | 公開日 | 2014-07-02 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Discovery of Selective and Orally Bioavailable Protein Kinase C theta (PKC theta ) Inhibitors from a Fragment Hit. J.Med.Chem., 58, 2015
|
|
4PY1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4py1 by Molmil](/molmil-images/mine/4py1) | Crystal structure of Tyk2 in complex with compound 15, 6-((2,5-dimethoxyphenyl)thio)-3-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine | 分子名称: | 6-[(2,5-dimethoxyphenyl)sulfanyl]-3-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazine, Non-receptor tyrosine-protein kinase TYK2 | 著者 | Han, S, Knafels, J.D. | 登録日 | 2014-03-25 | 公開日 | 2014-09-03 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | Kinase domain inhibition of leucine rich repeat kinase 2 (LRRK2) using a [1,2,4]triazolo[4,3-b]pyridazine scaffold. Bioorg.Med.Chem.Lett., 24, 2014
|
|
4PX6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4px6 by Molmil](/molmil-images/mine/4px6) | |
4PV0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pv0 by Molmil](/molmil-images/mine/4pv0) | Crystal structure of spleen tyrosine kinase (Syk) in complex with an imidazopyrazine inhibitor | 分子名称: | 4-[(3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzoyl)amino]benzoic acid, CHLORIDE ION, Tyrosine-protein kinase SYK | 著者 | Lansdon, E.B, Mitchell, S.A. | 登録日 | 2014-03-14 | 公開日 | 2014-05-21 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of GS-9973, a Selective and Orally Efficacious Inhibitor of Spleen Tyrosine Kinase. J.Med.Chem., 57, 2014
|
|
4PUZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4puz by Molmil](/molmil-images/mine/4puz) | |
4PQN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pqn by Molmil](/molmil-images/mine/4pqn) | ITK kinase domain with compound GNE-9822 | 分子名称: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, N-{1-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1H-pyrazol-4-yl}-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK | 著者 | McEwan, P.A, Barker, J.J, Eigenbrot, C. | 登録日 | 2014-03-03 | 公開日 | 2014-07-02 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Property- and structure-guided discovery of a tetrahydroindazole series of interleukin-2 inducible T-cell kinase inhibitors. J.Med.Chem., 57, 2014
|
|
4PPC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ppc by Molmil](/molmil-images/mine/4ppc) | |
4PPB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ppb by Molmil](/molmil-images/mine/4ppb) | |
4PPA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ppa by Molmil](/molmil-images/mine/4ppa) | |
4PP9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pp9 by Molmil](/molmil-images/mine/4pp9) | |
4PP7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pp7 by Molmil](/molmil-images/mine/4pp7) | Highly Potent and Selective 3-N-methylquinazoline-4(3H)-one Based Inhibitors of B-RafV600E Kinase | 分子名称: | N-{2,4-difluoro-3-[methyl(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide, Serine/threonine-protein kinase B-raf | 著者 | Wenglowsky, S, Ren, L, Grina, J, Hansen, J.D, Laird, E.R, Moreno, D, Dinkel, V, Gloor, S.L, Hastings, G, Rana, S, Rasor, K, Sturgis, H.L, Voegtli, W.C, Vigers, G.P.A, Willis, B, Mathieu, S, Rudolph, J. | 登録日 | 2014-02-26 | 公開日 | 2014-04-09 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Highly potent and selective 3-N-methylquinazoline-4(3H)-one based inhibitors of B-Raf(V600E) kinase. Bioorg.Med.Chem.Lett., 24, 2014
|
|
4PMT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pmt by Molmil](/molmil-images/mine/4pmt) | |
4PMS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pms by Molmil](/molmil-images/mine/4pms) | The structure of TrkA kinase bound to the inhibitor 4-naphthalen-1-yl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid | 分子名称: | 4-(naphthalen-1-yl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid, ACETATE ION, CHLORIDE ION, ... | 著者 | Su, H.P. | 登録日 | 2014-05-22 | 公開日 | 2014-06-18 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Maximizing diversity from a kinase screen: identification of novel and selective pan-Trk inhibitors for chronic pain. J.Med.Chem., 57, 2014
|
|
4PMP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pmp by Molmil](/molmil-images/mine/4pmp) | |
4PMM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pmm by Molmil](/molmil-images/mine/4pmm) | |
4PDO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pdo by Molmil](/molmil-images/mine/4pdo) | |
4P7E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4p7e by Molmil](/molmil-images/mine/4p7e) | Triazolopyridine compounds as selective JAK1 inhibitors: from hit identification to GLPG0634 | 分子名称: | N-(5-{4-[(1,1-dioxidothiomorpholin-4-yl)methyl]phenyl}[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide, Tyrosine-protein kinase JAK2 | 著者 | Menet, C.C.J, Fletcher, S, Van Lommen, G, Geney, R, Blanc, J, Smits, K, Jouannigot, N, van der Aar, E.M, Clement-Lacroix, P, Lepescheux, L, Galien, R, Vayssiere, B, Nelles, L, Christophe, T, Brys, R, Uhring, M, Ciesielski, F, Van Rompaey, L. | 登録日 | 2014-03-27 | 公開日 | 2014-11-19 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Triazolopyridines as Selective JAK1 Inhibitors: From Hit Identification to GLPG0634. J.Med.Chem., 57, 2014
|
|
4P5Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4p5z by Molmil](/molmil-images/mine/4p5z) | Human EphA3 Kinase domain in complex with quinoxaline derivatives | 分子名称: | 2-amino-1-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, Ephrin type-A receptor 3 | 著者 | Dong, J, Caflisch, A. | 登録日 | 2014-03-20 | 公開日 | 2014-08-13 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.002 Å) | 主引用文献 | Pyrrolo[3,2-b]quinoxaline Derivatives as Types I1/2 and II Eph Tyrosine Kinase Inhibitors: Structure-Based Design, Synthesis, and in Vivo Validation. J.Med.Chem., 57, 2014
|
|
4P5Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4p5q by Molmil](/molmil-images/mine/4p5q) | Human EphA3 Kinase domain in complex with quinoxaline derivatives | 分子名称: | 2-amino-1-(2-chlorophenyl)-N-(3-ethoxypropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, Ephrin type-A receptor 3 | 著者 | Dong, J, Caflisch, A. | 登録日 | 2014-03-19 | 公開日 | 2014-08-13 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Pyrrolo[3,2-b]quinoxaline Derivatives as Types I1/2 and II Eph Tyrosine Kinase Inhibitors: Structure-Based Design, Synthesis, and in Vivo Validation. J.Med.Chem., 57, 2014
|
|
4P4C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4p4c by Molmil](/molmil-images/mine/4p4c) | Human EphA3 Kinase domain in complex with quinoxaline derivatives | 分子名称: | 2-amino-1-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, EPH receptor A3 | 著者 | Dong, J, Caflisch, A. | 登録日 | 2014-03-12 | 公開日 | 2014-08-13 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.599 Å) | 主引用文献 | Pyrrolo[3,2-b]quinoxaline Derivatives as Types I1/2 and II Eph Tyrosine Kinase Inhibitors: Structure-Based Design, Synthesis, and in Vivo Validation. J.Med.Chem., 57, 2014
|
|
4P2K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4p2k by Molmil](/molmil-images/mine/4p2k) | |
4OTR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4otr by Molmil](/molmil-images/mine/4otr) | Crystal structure of BTK kinase domain complexed with 6-cyclopropyl-2-[3-[5-[[5-(4-ethylpiperazin-1-yl)-2-pyridyl]amino]-1-methyl-6-oxo-3-pyridyl]-2-(hydroxymethyl)phenyl]-8-fluoro-isoquinolin-1-one | 分子名称: | 6-cyclopropyl-2-[3-(5-{[5-(4-ethylpiperazin-1-yl)pyridin-2-yl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-(hydroxymethyl)phenyl]-8-fluoroisoquinolin-1(2H)-one, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | 著者 | Kuglstatter, A, Wong, A. | 登録日 | 2014-02-14 | 公開日 | 2014-05-14 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structure-Based Drug Design of RN486, a Potent and Selective Bruton's Tyrosine Kinase (BTK) Inhibitor, for the Treatment of Rheumatoid Arthritis. J.Med.Chem., 58, 2015
|
|
4OTQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4otq by Molmil](/molmil-images/mine/4otq) | Crystal structure of BTK kinase domain complexed with 1-[5-[3-(7-tert-butyl-4-oxo-quinazolin-3-yl)-2-methyl-phenyl]-1-methyl-2-oxo-3-pyridyl]-3-methyl-urea | 分子名称: | 1-{5-[3-(7-tert-butyl-4-oxoquinazolin-3(4H)-yl)-2-methylphenyl]-1-methyl-2-oxo-1,2-dihydropyridin-3-yl}-3-methylurea, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | 著者 | Kuglstatter, A, Wong, A. | 登録日 | 2014-02-14 | 公開日 | 2014-05-14 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structure-Based Drug Design of RN486, a Potent and Selective Bruton's Tyrosine Kinase (BTK) Inhibitor, for the Treatment of Rheumatoid Arthritis. J.Med.Chem., 58, 2015
|
|
4OTF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4otf by Molmil](/molmil-images/mine/4otf) | Crystal structure of the kinase domain of Bruton's Tyrosine kinase with GDC0834 | 分子名称: | N-{3-[6-({4-[(2R)-1,4-dimethyl-3-oxopiperazin-2-yl]phenyl}amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl]-2-methylphenyl }-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide, SULFATE ION, Tyrosine-protein kinase BTK | 著者 | Hymowitz, S.G, Maurer, B. | 登録日 | 2014-02-13 | 公開日 | 2015-01-28 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Potent and selective Bruton's tyrosine kinase inhibitors: Discovery of GDC-0834. Bioorg.Med.Chem.Lett., 25, 2015
|
|