3DQX
| chicken c-Src kinase domain in complex with ATPgS | Descriptor: | ADENOSINE MONOPHOSPHATE, Proto-oncogene tyrosine-protein kinase Src | Authors: | Azam, M, Seeliger, M.A, Gray, N, Kuriyan, J, Daley, G.Q. | Deposit date: | 2008-07-09 | Release date: | 2008-09-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Activation of tyrosine kinases by mutation of the gatekeeper threonine. Nat.Struct.Mol.Biol., 15, 2008
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3DQW
| c-Src kinase domain Thr338Ile mutant in complex with ATPgS | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Proto-oncogene tyrosine-protein kinase Src | Authors: | Azam, M, Seeliger, M.A, Gray, N, Kuriyan, J, Daley, G.Q. | Deposit date: | 2008-07-09 | Release date: | 2008-09-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.017 Å) | Cite: | Activation of tyrosine kinases by mutation of the gatekeeper threonine. Nat.Struct.Mol.Biol., 15, 2008
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3IKA
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3K5V
| Structure of Abl kinase in complex with imatinib and GNF-2 | Descriptor: | 3-(6-{[4-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)benzamide, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, CHLORIDE ION, ... | Authors: | Cowan-Jacob, S.W, Fendrich, G, Rummel, G, Strauss, A. | Deposit date: | 2009-10-08 | Release date: | 2010-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Targeting Bcr-Abl by combining allosteric with ATP-binding-site inhibitors. Nature, 463, 2010
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5WA5
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor XMD11-50 | Descriptor: | 1,2-ETHANEDIOL, 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4 | Authors: | Xu, X, Blacklow, S.C. | Deposit date: | 2017-06-24 | Release date: | 2018-07-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.172 Å) | Cite: | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains. ACS Chem. Biol., 13, 2018
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5XV7
| SRPK1 in complex with Alectinib | Descriptor: | 1,2-ETHANEDIOL, 9-ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile, serine-arginine (SR) protein kinase 1 | Authors: | Zeng, C, Ngo, J.C.K. | Deposit date: | 2017-06-26 | Release date: | 2018-03-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | SRPKIN-1: A Covalent SRPK1/2 Inhibitor that Potently Converts VEGF from Pro-angiogenic to Anti-angiogenic Isoform Cell Chem Biol, 25, 2018
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5YU9
| Crystal structure of EGFR 696-1022 T790M in complex with Ibrutinib | Descriptor: | 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, CHLORIDE ION, Epidermal growth factor receptor | Authors: | Yan, X.E, Yun, C.H. | Deposit date: | 2017-11-21 | Release date: | 2017-12-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Ibrutinib targets mutant-EGFR kinase with a distinct binding conformation. Oncotarget, 7, 2016
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5ZXB
| Crystal structure of ACK1 with compound 10d | Descriptor: | Activated CDC42 kinase 1, N-{3-[7-{[6-(4-acetylpiperazin-1-yl)pyridin-3-yl]amino}-1-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide | Authors: | Hong, E.M, Kim, H.L, Sim, T.B. | Deposit date: | 2018-05-18 | Release date: | 2018-09-26 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.198 Å) | Cite: | First SAR Study for Overriding NRAS Mutant Driven Acute Myeloid Leukemia. J. Med. Chem., 61, 2018
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5E7R
| Crystal structure of TL10-81 bound to TAK1-TAB1 | Descriptor: | 2-chloro-N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}acetamide, TAK1 kinase - TAB1 chimera fusion protein | Authors: | Gurbani, D, Hunter, J.C, Tan, L, Chen, Z, Westover, K.D. | Deposit date: | 2015-10-13 | Release date: | 2016-09-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Structure-guided development of covalent TAK1 inhibitors. Bioorg. Med. Chem., 25, 2017
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5TWY
| Structure of Maternal Embryonic Leucine Zipper Kinase | Descriptor: | 2-(benzyloxy)-4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide, Maternal embryonic leucine zipper kinase | Authors: | Seo, H.-S, Dhe-Paganon, S. | Deposit date: | 2016-11-15 | Release date: | 2017-11-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | MELK is not necessary for the proliferation of basal-like breast cancer cells. Elife, 6, 2017
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5TWZ
| Structure of Maternal Embryonic Leucine Zipper Kinase | Descriptor: | 7-{[2-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino}-2,3,4,5-tetrahydro-1H-3-benzazepinium, Maternal embryonic leucine zipper kinase | Authors: | Seo, H.-Y, Dhe-Paganon, S. | Deposit date: | 2016-11-15 | Release date: | 2017-11-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.631 Å) | Cite: | MELK is not necessary for the proliferation of basal-like breast cancer cells. Elife, 6, 2017
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5V9L
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5V71
| KRAS G12C in bound to quinazoline based switch II pocket (SWIIP) binder | Descriptor: | 1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Westover, K, Lu, J. | Deposit date: | 2017-03-17 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.228 Å) | Cite: | KRAS G12C Drug Development: Discrimination between Switch II Pocket Configurations Using Hydrogen/Deuterium-Exchange Mass Spectrometry. Structure, 25, 2017
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5V9O
| KRAS G12C inhibitor | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Westover, K, Lu, J. | Deposit date: | 2017-03-23 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Potent and Selective Covalent Quinazoline Inhibitors of KRAS G12C. Cell Chem Biol, 24, 2017
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7SZC
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7SZD
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7SZB
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7SZA
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7TEU
| Crystal structure of JAK2 JH1 with type II inhibitor YLIU-04-105-1 | Descriptor: | 3-{(4S)-2-[(cyclopropanecarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}-N-{3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl}-4-methylbenzamide, GLYCEROL, Tyrosine-protein kinase JAK2 | Authors: | Hubbard, S.R. | Deposit date: | 2022-01-05 | Release date: | 2023-06-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | New scaffolds for type II JAK2 inhibitors overcome the acquired G993A resistance mutation. Cell Chem Biol, 30, 2023
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6OSP
| Crystal Structure Analysis of PIP4K2A | Descriptor: | 4-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}-N-(3-{[6-(1H-indol-3-yl)pyrimidin-4-yl]amino}phenyl)benzamide, GLYCEROL, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | Authors: | Seo, H.-S, Dhe-Paganon, S. | Deposit date: | 2019-05-01 | Release date: | 2020-04-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Targeting the PI5P4K Lipid Kinase Family in Cancer Using Covalent Inhibitors. Cell Chem Biol, 27, 2020
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6P38
| Crystal Structure Analysis of TAF1 Bromodomain | Descriptor: | 4-{[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-N-(1-methylpiperidin-4-yl)-3-[(propan-2-yl)oxy]benzamide, Transcription initiation factor TFIID subunit 1 | Authors: | Seo, H.-S, Dhe-Paganon, S. | Deposit date: | 2019-05-23 | Release date: | 2020-05-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Dual Inhibition of TAF1 and BET Bromodomains from the BI-2536 Kinase Inhibitor Scaffold. Acs Med.Chem.Lett., 10, 2019
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6P1L
| Crystal structure of EGFR in complex with EAI045 | Descriptor: | (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ... | Authors: | Heppner, D.E, Eck, M.J. | Deposit date: | 2019-05-20 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery and Optimization of Dibenzodiazepinones as Allosteric Mutant-Selective EGFR Inhibitors. Acs Med.Chem.Lett., 10, 2019
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6P1D
| Crystal structure of EGFR with mutant-selective dihydrodibenzodiazepinone allosteric inhibitor | Descriptor: | 10-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one, Epidermal growth factor receptor, MAGNESIUM ION, ... | Authors: | Heppner, D.E, Eck, M.J. | Deposit date: | 2019-05-19 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery and Optimization of Dibenzodiazepinones as Allosteric Mutant-Selective EGFR Inhibitors. Acs Med.Chem.Lett., 10, 2019
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6P8Q
| EGFR in complex with a dihydrodibenzodiazepinone allosteric inhibitor. | Descriptor: | 1,2-ETHANEDIOL, 10-benzyl-2-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one, ADENOSINE MONOPHOSPHATE, ... | Authors: | Yun, C.H, Heppner, D.E, Eck, M.J. | Deposit date: | 2019-06-07 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery and Optimization of Dibenzodiazepinones as Allosteric Mutant-Selective EGFR Inhibitors. Acs Med.Chem.Lett., 10, 2019
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5DH3
| Crystal structure of MST2 in complex with XMU-MP-1 | Descriptor: | 4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide, CHLORIDE ION, SULFATE ION, ... | Authors: | Kong, L.L, Yun, C.H. | Deposit date: | 2015-08-29 | Release date: | 2016-08-31 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.468 Å) | Cite: | Pharmacological targeting of kinases MST1 and MST2 augments tissue repair and regeneration Sci Transl Med, 8, 2016
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