3PP0
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![BU of 3pp0 by Molmil](/molmil-images/mine/3pp0) | Crystal Structure of the Kinase domain of Human HER2 (erbB2). | Descriptor: | 2-{2-[4-({5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridin-3-yl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethoxy}ethanol, Receptor tyrosine-protein kinase erbB-2 | Authors: | Skene, R.J, Aertgeerts, K, Sogabe, S. | Deposit date: | 2010-11-23 | Release date: | 2011-03-30 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural Analysis of the Mechanism of Inhibition and Allosteric Activation of the Kinase Domain of HER2 Protein. J.Biol.Chem., 286, 2011
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3POZ
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![BU of 3poz by Molmil](/molmil-images/mine/3poz) | EGFR Kinase domain complexed with tak-285 | Descriptor: | Epidermal growth factor receptor, N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide, SULFATE ION | Authors: | Aertgeerts, K, Skene, R, Sogabe, S. | Deposit date: | 2010-11-23 | Release date: | 2011-03-30 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Analysis of the Mechanism of Inhibition and Allosteric Activation of the Kinase Domain of HER2 Protein. J.Biol.Chem., 286, 2011
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3PLS
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![BU of 3pls by Molmil](/molmil-images/mine/3pls) | RON in complex with ligand AMP-PNP | Descriptor: | MAGNESIUM ION, Macrophage-stimulating protein receptor, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Wang, J, Steinbacher, S, Augustin, M, Schreiner, P, Epstein, D, Mulvihill, M.J, Crew, A.P. | Deposit date: | 2010-11-15 | Release date: | 2010-11-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | The Crystal Structure of a Constitutively Active Mutant RON Kinase Suggests an Intramolecular Autophosphorylation Hypothesis Biochemistry, 49, 2010
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3PJC
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![BU of 3pjc by Molmil](/molmil-images/mine/3pjc) | Crystal structure of JAK3 complexed with a potent ATP site inhibitor showing high selectivity within the Janus kinase family | Descriptor: | 3-(1H-indol-3-yl)-4-[2-(4-oxopiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrrole-2,5-dione, Tyrosine-protein kinase JAK3 | Authors: | Tavares, G.A, Thoma, G, Zerwes, H.-G, Kroemer, M. | Deposit date: | 2010-11-09 | Release date: | 2010-12-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Identification of a Potent Janus Kinase 3 Inhibitor with High Selectivity within the Janus Kinase Family. J.Med.Chem., 54, 2011
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3PJ3
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![BU of 3pj3 by Molmil](/molmil-images/mine/3pj3) | |
3PJ2
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![BU of 3pj2 by Molmil](/molmil-images/mine/3pj2) | |
3PJ1
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![BU of 3pj1 by Molmil](/molmil-images/mine/3pj1) | Crystal structure of BTK kinase domain complexed with 3-(2,6-Dichloro-phenyl)-7-[4-(2-diethylamino-ethoxy)-phenylamino]-1-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one | Descriptor: | 3-(2,6-dichlorophenyl)-7-({4-[2-(diethylamino)ethoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Tyrosine-protein kinase BTK | Authors: | Kuglstatter, A, Wong, A. | Deposit date: | 2010-11-08 | Release date: | 2011-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures. Protein Sci., 20, 2011
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3PIZ
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3PIY
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![BU of 3piy by Molmil](/molmil-images/mine/3piy) | Crystal structure of BTK kinase domain complexed with R406 | Descriptor: | 6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one, Tyrosine-protein kinase BTK | Authors: | Kuglstatter, A, Wong, A. | Deposit date: | 2010-11-08 | Release date: | 2011-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures. Protein Sci., 20, 2011
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3PIX
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3P86
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![BU of 3p86 by Molmil](/molmil-images/mine/3p86) | |
3P08
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![BU of 3p08 by Molmil](/molmil-images/mine/3p08) | |
3OY3
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![BU of 3oy3 by Molmil](/molmil-images/mine/3oy3) | Crystal structure of ABL T315I mutant kinase domain bound with a DFG-out inhibitor AP24589 | Descriptor: | 5-[(5-{[4-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-3-(trifluoromethyl)phenyl]carbamoyl}-2-methylphenyl)ethynyl]-1-methyl-1H-imidazole-2-carboxamide, Tyrosine-protein kinase ABL1 | Authors: | Zhou, T, Commodore, L, Huang, W.S, Wang, Y, Thomas, M, Keats, J, Xu, Q, Rivera, V, Shakespeare, W.C, Clackson, T, Dalgarno, D.C, Zhu, X. | Deposit date: | 2010-09-22 | Release date: | 2010-12-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural Mechanism of the Pan-BCR-ABL Inhibitor Ponatinib (AP24534): Lessons for Overcoming Kinase Inhibitor Resistance. Chem.Biol.Drug Des., 77, 2011
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3OXZ
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![BU of 3oxz by Molmil](/molmil-images/mine/3oxz) | Crystal structure of ABL kinase domain bound with a DFG-out inhibitor AP24534 | Descriptor: | 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Tyrosine-protein kinase ABL1 | Authors: | Zhou, T, Huang, W.S, Wang, Y, Thomas, M, Keats, J, Xu, Q, Rivera, V, Shakespeare, W.C, Clackson, T, Dalgarno, D.C, Zhu, X. | Deposit date: | 2010-09-22 | Release date: | 2010-12-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Mechanism of the Pan-BCR-ABL Inhibitor Ponatinib (AP24534): Lessons for Overcoming Kinase Inhibitor Resistance. Chem.Biol.Drug Des., 77, 2011
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3OG7
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![BU of 3og7 by Molmil](/molmil-images/mine/3og7) | B-Raf Kinase V600E oncogenic mutant in complex with PLX4032 | Descriptor: | AKAP9-BRAF fusion protein, N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide | Authors: | Zhang, Y, Zhang, K.Y, Zhang, C. | Deposit date: | 2010-08-16 | Release date: | 2010-09-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Clinical efficacy of a RAF inhibitor needs broad target blockade in BRAF-mutant melanoma. Nature, 467, 2010
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3OF0
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3OEZ
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![BU of 3oez by Molmil](/molmil-images/mine/3oez) | crystal structure of the L317I mutant of the chicken c-Src tyrosine kinase domain complexed with imatinib | Descriptor: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, ACETATE ION, GLYCEROL, ... | Authors: | Boubeva, R, Pernot, L, Perozzo, R, Scapozza, L. | Deposit date: | 2010-08-13 | Release date: | 2011-08-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | a single amino-acid dictates the dynamics of the switch between active and inactive C-Src conformation To be Published
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3OCT
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![BU of 3oct by Molmil](/molmil-images/mine/3oct) | |
3OCS
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![BU of 3ocs by Molmil](/molmil-images/mine/3ocs) | Crystal structure of bruton's tyrosine kinase in complex with inhibitor CGI1746 | Descriptor: | 4-tert-butyl-N-[2-methyl-3-(4-methyl-6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-5-oxo-4,5-dihydropyrazin-2-yl)phenyl]benzamide, BETA-MERCAPTOETHANOL, SULFATE ION, ... | Authors: | Davies, D.R, Gallion, S.L, Staker, B.L. | Deposit date: | 2010-08-10 | Release date: | 2010-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A novel, specific Btk inhibitor antagonizes BCR and Fc[gamma]R signaling and suppresses inflammatory arthritis To be Published
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3O23
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3NZ0
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![BU of 3nz0 by Molmil](/molmil-images/mine/3nz0) | Non-phosphorylated TYK2 kinase with CMP6 | Descriptor: | 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE, Non-receptor tyrosine-protein kinase TYK2 | Authors: | Eigenbrot, C, Ultsch, M. | Deposit date: | 2010-07-15 | Release date: | 2010-10-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A new regulatory switch in a JAK protein kinase. Proteins, 79, 2011
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3NYX
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![BU of 3nyx by Molmil](/molmil-images/mine/3nyx) | Non-phosphorylated TYK2 JH1 domain with Quinoline-Thiadiazole-Thiophene Inhibitor | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, N-{5-[(7-chloroquinolin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}thiophene-2-carboxamide, Non-receptor tyrosine-protein kinase TYK2 | Authors: | Eigenbrot, C, Ultsch, M. | Deposit date: | 2010-07-15 | Release date: | 2010-10-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A new regulatory switch in a JAK protein kinase. Proteins, 79, 2011
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3NW7
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![BU of 3nw7 by Molmil](/molmil-images/mine/3nw7) | Crystal structure of insulin-like growth factor 1 receptor (IGF-1R-WT) complex with a carbon-linked proline isostere inhibitor (34) | Descriptor: | Insulin-like growth factor 1 receptor, N-({4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}methyl)-6-fluoropyridine-3-carboxamide | Authors: | Sack, J.S. | Deposit date: | 2010-07-09 | Release date: | 2010-07-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Proline isosteres in a series of 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitors of IGF-1R kinase and IR kinase. Bioorg.Med.Chem.Lett., 20, 2010
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3NW6
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![BU of 3nw6 by Molmil](/molmil-images/mine/3nw6) | Crystal structure of insulin-like growth factor 1 receptor (IGF-1R-WT) complex with a carbon-linked proline isostere inhibitor (11A) | Descriptor: | Insulin-like growth factor 1 receptor, N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-{(2S)-1-[(6-fluoropyridin-3-yl)carbonyl]pyrrolidin-2-yl}pyrrolo[2,1-f][1,2,4]triazin-4-amine | Authors: | Sack, J.S. | Deposit date: | 2010-07-09 | Release date: | 2010-07-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Proline isosteres in a series of 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitors of IGF-1R kinase and IR kinase. Bioorg.Med.Chem.Lett., 20, 2010
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3NW5
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![BU of 3nw5 by Molmil](/molmil-images/mine/3nw5) | Crystal structure of insulin-like growth factor 1 receptor (IGF-1R-WT) complex with a carbon-linked proline isostere inhibitor (11B) | Descriptor: | Insulin-like growth factor 1 receptor, N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-{(2R)-1-[(6-fluoropyridin-3-yl)carbonyl]pyrrolidin-2-yl}pyrrolo[2,1-f][1,2,4]triazin-4-amine | Authors: | Sack, J.S. | Deposit date: | 2010-07-09 | Release date: | 2010-07-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Proline isosteres in a series of 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitors of IGF-1R kinase and IR kinase. Bioorg.Med.Chem.Lett., 20, 2010
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