5ZXB
| Crystal structure of ACK1 with compound 10d | 分子名称: | 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 | 著者 | Hong, E.M, Kim, H.L, Sim, T.B. | 登録日 | 2018-05-18 | 公開日 | 2018-09-26 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.198 Å) | 主引用文献 | First SAR Study for Overriding NRAS Mutant Driven Acute Myeloid Leukemia. J. Med. Chem., 61, 2018
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8EME
| EGFR(T790M/V948R) in complex with ZNL-0056 | 分子名称: | Epidermal growth factor receptor, N-{7-methyl-1-[(3S)-1-(prop-2-enoyl)azepan-3-yl]-1H-benzimidazol-2-yl}-5-(prop-2-enamido)thiophene-3-carboxamide | 著者 | Beyett, T.S, Eck, M.J. | 登録日 | 2022-09-27 | 公開日 | 2023-10-18 | 最終更新日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (3.32 Å) | 主引用文献 | Molecular Bidents with Two Electrophilic Warheads as a New Pharmacological Modality. Acs Cent.Sci., 10, 2024
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8G46
| Cryo-EM structure of DDB1deltaB-DDA1-DCAF16-BRD4(BD2)-MMH2 | 分子名称: | Bromodomain-containing protein 4, DDB1- and CUL4-associated factor 16, DET1- and DDB1-associated protein 1, ... | 著者 | Ma, M.W, Hunkeler, M, Jin, C.Y, Fischer, E.S. | 登録日 | 2023-02-08 | 公開日 | 2023-03-08 | 実験手法 | ELECTRON MICROSCOPY (2.2 Å) | 主引用文献 | Template-assisted covalent modification of DCAF16 underlies activity of BRD4 molecular glue degraders. Biorxiv, 2023
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3IKA
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3K5V
| Structure of Abl kinase in complex with imatinib and GNF-2 | 分子名称: | 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, ... | 著者 | Cowan-Jacob, S.W, Fendrich, G, Rummel, G, Strauss, A. | 登録日 | 2009-10-08 | 公開日 | 2010-01-19 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Targeting Bcr-Abl by combining allosteric with ATP-binding-site inhibitors. Nature, 463, 2010
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6UX9
| Crystal Structure Analysis of PIP4K2A | 分子名称: | N-[4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}pyridin-3-yl)phenyl]methanesulfonamide, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | 著者 | Seo, H.-S, Dhe-Paganon, S. | 登録日 | 2019-11-07 | 公開日 | 2020-12-09 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Discovery and Structure-Activity Relationship Study of ( Z )-5-Methylenethiazolidin-4-one Derivatives as Potent and Selective Pan-phosphatidylinositol 5-Phosphate 4-Kinase Inhibitors. J.Med.Chem., 63, 2020
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6VAJ
| Crystal Structure Analysis of human PIN1 | 分子名称: | 2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetamide, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION, ... | 著者 | Seo, H.-S, Dhe-Paganon, S. | 登録日 | 2019-12-17 | 公開日 | 2020-12-30 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Sulfopin is a covalent inhibitor of Pin1 that blocks Myc-driven tumors in vivo. Nat.Chem.Biol., 17, 2021
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5E7R
| Crystal structure of TL10-81 bound to TAK1-TAB1 | 分子名称: | 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 | 著者 | Gurbani, D, Hunter, J.C, Tan, L, Chen, Z, Westover, K.D. | 登録日 | 2015-10-13 | 公開日 | 2016-09-21 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Structure-guided development of covalent TAK1 inhibitors. Bioorg. Med. Chem., 25, 2017
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8TJL
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8TL6
| Cryo-EM structure of DDB1deltaB-DDA1-DCAF5 | 分子名称: | DDB1- and CUL4-associated factor 5, DET1- and DDB1-associated protein 1, DNA damage-binding protein 1 | 著者 | Yue, H, Hunkeler, M, Roy Burman, S.S, Fischer, E.S. | 登録日 | 2023-07-26 | 公開日 | 2024-04-03 | 最終更新日 | 2024-04-17 | 実験手法 | ELECTRON MICROSCOPY (2.63 Å) | 主引用文献 | Targeting DCAF5 suppresses SMARCB1-mutant cancer by stabilizing SWI/SNF. Nature, 628, 2024
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5ACB
| Crystal Structure of the Human Cdk12-Cyclink Complex | 分子名称: | CYCLIN-DEPENDENT KINASE 12, CYCLIN-K, N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide | 著者 | Dixon Clarke, S.E, Elkins, J.M, Pike, A.C.W, Mackenzie, A, Goubin, S, Strain-Damerell, C, Mahajan, P, Tallant, C, Chalk, R, Wiggers, H, Kopec, J, Fitzpatrick, F, Burgess-Brown, N, Carpenter, E.P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | 登録日 | 2015-08-14 | 公開日 | 2016-06-15 | 最終更新日 | 2016-10-05 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Covalent Targeting of Remote Cysteine Residues to Develop Cdk12 and Cdk13 Inhibitors. Nat.Chem.Biol., 12, 2016
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3V6R
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3V6S
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6OSP
| Crystal Structure Analysis of PIP4K2A | 分子名称: | 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 | 著者 | Seo, H.-S, Dhe-Paganon, S. | 登録日 | 2019-05-01 | 公開日 | 2020-04-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | 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 | 分子名称: | 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 | 著者 | Seo, H.-S, Dhe-Paganon, S. | 登録日 | 2019-05-23 | 公開日 | 2020-05-27 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | 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 | 分子名称: | (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, ... | 著者 | Heppner, D.E, Eck, M.J. | 登録日 | 2019-05-20 | 公開日 | 2019-12-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | 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 | 分子名称: | 10-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one, Epidermal growth factor receptor, MAGNESIUM ION, ... | 著者 | Heppner, D.E, Eck, M.J. | 登録日 | 2019-05-19 | 公開日 | 2019-12-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | 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. | 分子名称: | 1,2-ETHANEDIOL, 10-benzyl-2-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one, ADENOSINE MONOPHOSPHATE, ... | 著者 | Yun, C.H, Heppner, D.E, Eck, M.J. | 登録日 | 2019-06-07 | 公開日 | 2019-12-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery and Optimization of Dibenzodiazepinones as Allosteric Mutant-Selective EGFR Inhibitors. Acs Med.Chem.Lett., 10, 2019
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5XV7
| SRPK1 in complex with Alectinib | 分子名称: | 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 | 著者 | Zeng, C, Ngo, J.C.K. | 登録日 | 2017-06-26 | 公開日 | 2018-03-14 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | 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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5WA5
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor XMD11-50 | 分子名称: | 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 | 著者 | Xu, X, Blacklow, S.C. | 登録日 | 2017-06-24 | 公開日 | 2018-07-04 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.172 Å) | 主引用文献 | 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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8ELC
| Human JNK2 bound to covalent inhibitor YL2056 | 分子名称: | 4-(dimethylamino)-N-{4-[(3S)-3-({4-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl}amino)pyrrolidine-1-carbonyl]phenyl}butanamide, Mitogen-activated protein kinase 9 | 著者 | Li, L, Gurbani, D, Westover, K.D. | 登録日 | 2022-09-23 | 公開日 | 2023-06-28 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.072 Å) | 主引用文献 | Development of a Covalent Inhibitor of c-Jun N-Terminal Protein Kinase (JNK) 2/3 with Selectivity over JNK1. J.Med.Chem., 66, 2023
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5YU9
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3CEK
| Crystal structure of human dual specificity protein kinase (TTK) | 分子名称: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Dual specificity protein kinase TTK | 著者 | Filippakopoulos, P, Soundararajan, M, Keates, T, Elkins, J.M, King, O, Fedorov, O, Picaud, S.S, Pike, A.C.W, Roos, A, Pilka, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2008-02-29 | 公開日 | 2008-03-18 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Small-molecule kinase inhibitors provide insight into Mps1 cell cycle function. Nat.Chem.Biol., 6, 2010
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7O7K
| Crystal structure of the human DYRK1A kinase domain bound to abemaciclib | 分子名称: | 1,2-ETHANEDIOL, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Kaltheuner, I.H, Anand, K, Geyer, M. | 登録日 | 2021-04-13 | 公開日 | 2021-11-24 | 最終更新日 | 2024-10-09 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Abemaciclib is a potent inhibitor of DYRK1A and HIP kinases involved in transcriptional regulation. Nat Commun, 12, 2021
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7O7I
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