8TJL
 
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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 | 2024-01-31 | | 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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7O7J
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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 | | 分子名称: | 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 | | 著者 | Hubbard, S.R. | | 登録日 | 2022-01-05 | | 公開日 | 2023-06-21 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | New scaffolds for type II JAK2 inhibitors overcome the acquired G993A resistance mutation.
Cell Chem Biol, 30, 2023
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5TWZ
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5V9O
 | | KRAS G12C inhibitor | | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Westover, K, Lu, J. | | 登録日 | 2017-03-23 | | 公開日 | 2017-08-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Potent and Selective Covalent Quinazoline Inhibitors of KRAS G12C.
Cell Chem Biol, 24, 2017
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5V9L
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5V71
 | | KRAS G12C in bound to quinazoline based switch II pocket (SWIIP) binder | | 分子名称: | 1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Westover, K, Lu, J. | | 登録日 | 2017-03-17 | | 公開日 | 2017-08-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.228 Å) | | 主引用文献 | KRAS G12C Drug Development: Discrimination between Switch II Pocket Configurations Using Hydrogen/Deuterium-Exchange Mass Spectrometry.
Structure, 25, 2017
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5TWY
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3GFW
 | | Crystal Structure of Human Dual Specificity Protein Kinase (TTK) in complex with a pyrolo-pyridin ligand | | 分子名称: | 1-(4-(4-(2-(isopropylsulfonyl)phenylamino)-1H-pyrrolo[2,3-b]pyridin-6-ylamino)-3-methoxyphenyl)piperidin-4-ol, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Dual specificity protein kinase TTK | | 著者 | Filippakopoulos, P, Soundararajan, M, Choi, H, Keates, T, Elkins, J.M, King, O, Fedorov, O, Picaud, S.S, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Grey, N, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2009-02-27 | | 公開日 | 2009-03-17 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.74 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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6YFZ
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6YG4
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6YG2
 | | Crystal structure of MKK7 (MAP2K7) in complex with ibrutnib, with covalent and allosteric binding modes | | 分子名称: | 1,2-ETHANEDIOL, 1-[(3~{R})-3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, ... | | 著者 | Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-03-27 | | 公開日 | 2020-08-12 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Catalytic Domain Plasticity of MKK7 Reveals Structural Mechanisms of Allosteric Activation and Diverse Targeting Opportunities.
Cell Chem Biol, 27, 2020
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6YG5
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6YG0
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7LG8
 | | EGFR (T79M/V948R) in complex with naquotinib and an allosteric inhibitor | | 分子名称: | (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide, 6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazin e-2-carboxamide, Epidermal growth factor receptor | | 著者 | Beyett, T.S, Eck, M.J. | | 登録日 | 2021-01-19 | | 公開日 | 2022-02-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.93 Å) | | 主引用文献 | Molecular basis for cooperative binding and synergy of ATP-site and allosteric EGFR inhibitors.
Nat Commun, 13, 2022
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7LTX
 | | EGFR (T790M/V948R) in complex with quinazolinone allosteric inhibitor | | 分子名称: | (2R)-2-{5-fluoro-6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxoquinazolin-3(4H)-yl}-2-phenyl-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ... | | 著者 | Beyett, T.S, Eck, M.J. | | 登録日 | 2021-02-20 | | 公開日 | 2022-02-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Quinazolinones as allosteric fourth-generation EGFR inhibitors for the treatment of NSCLC.
Bioorg.Med.Chem.Lett., 68, 2022
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7MSO
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6YZ4
 | | Crystal structure of MKK7 (MAP2K7) with ibrutinib bound at allosteric site | | 分子名称: | 1,2-ETHANEDIOL, 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, DIMETHYL SULFOXIDE, ... | | 著者 | Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-05-06 | | 公開日 | 2020-08-12 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Catalytic Domain Plasticity of MKK7 Reveals Structural Mechanisms of Allosteric Activation and Diverse Targeting Opportunities.
Cell Chem Biol, 27, 2020
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7LPS
 | | Crystal structure of DDB1-CRBN-ALV1 complex bound to Helios (IKZF2 ZF2) | | 分子名称: | 3-[3-[[1-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]phenyl]-~{N}-(3-chloranyl-4-methyl-phenyl)propanamide, DNA damage-binding protein 1, Protein cereblon, ... | | 著者 | Nowak, R.P, Fischer, E.S. | | 登録日 | 2021-02-12 | | 公開日 | 2021-06-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.78 Å) | | 主引用文献 | Acute pharmacological degradation of Helios destabilizes regulatory T cells.
Nat.Chem.Biol., 17, 2021
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