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8H75
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BU of 8h75 by Molmil
FGFR2 in complex with YJ001
分子名称: CHLORIDE ION, Fibroblast growth factor receptor 2, Tinengotinib
著者Yan, X.E, Yun, C.H.
登録日2022-10-19
公開日2023-10-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.75 Å)
主引用文献FGFR2 in complex with YJ001
To Be Published
5XDK
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BU of 5xdk by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with CO-1686
分子名称: Epidermal growth factor receptor, N-[3-[[2-[[4-(4-ethanoylpiperazin-1-yl)-2-methoxy-phenyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
著者Yan, X.E, Yun, C.H.
登録日2017-03-28
公開日2017-12-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.346 Å)
主引用文献Structural basis of mutant-selectivity and drug-resistance related to CO-1686.
Oncotarget, 8, 2017
5XDL
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BU of 5xdl by Molmil
Crystal structure of EGFR 696-1022 L858R in complex with CO-1686
分子名称: Epidermal growth factor receptor, N-[3-[[2-[[4-(4-ethanoylpiperazin-1-yl)-2-methoxy-phenyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
著者Yan, X.E, Zhu, S.J, Yun, C.H.
登録日2017-03-28
公開日2017-12-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis of mutant-selectivity and drug-resistance related to CO-1686.
Oncotarget, 8, 2017
6A32
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BU of 6a32 by Molmil
Crystal structure of PDGFRA kinase domain mutant T674I
分子名称: Platelet-derived growth factor receptor alpha
著者Yan, X.E, Liang, L, Yun, C.H.
登録日2018-06-14
公開日2019-06-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Crystal structure of PDGFRA kinase domain mutant T674I
To Be Published
5GRN
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BU of 5grn by Molmil
Crystal structure of PDGFRA in Complex with WQ-C-159
分子名称: CHLORIDE ION, N-[2-(dimethylamino)ethyl]-N-[[4-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]methyl]pyridine-3-carboxamide, Platelet-derived growth factor receptor alpha
著者Yan, X.E, Yun, C.H.
登録日2016-08-11
公開日2017-08-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Crystal Structure of PDGFRA in Complex with WQ-C-159
To Be Published
5GTZ
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BU of 5gtz by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with JTS-1-39
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Epidermal growth factor receptor, ...
著者Yan, X.E, Yun, C.H.
登録日2016-08-24
公開日2017-09-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.999 Å)
主引用文献Crystal structure of EGFR 696-1022 T790M in complex with JTS-1-39
To Be Published
5K5X
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BU of 5k5x by Molmil
Crystal structure of human PDGFRA
分子名称: Platelet-derived growth factor receptor alpha, SULFATE ION
著者Yan, X.E, Liang, L, Yun, C.H.
登録日2016-05-24
公開日2016-08-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.168 Å)
主引用文献Structural and biochemical studies of the PDGFRA kinase domain
Biochem.Biophys.Res.Commun., 477, 2016
4ZSE
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BU of 4zse by Molmil
Crystal structure of EGFR 696-1022 T790M/V948R, crystal form II
分子名称: 1,2-ETHANEDIOL, Epidermal growth factor receptor, MAGNESIUM ION, ...
著者Yan, X.E, Yun, C.H.
登録日2015-05-13
公開日2016-06-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Ibrutinib Selectively and Irreversibly Targets EGFR-mutant non-Small Cell Lung Cancer Cells
To Be Published
5YU9
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BU of 5yu9 by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with Ibrutinib
分子名称: 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
著者Yan, X.E, Yun, C.H.
登録日2017-11-21
公開日2017-12-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Ibrutinib targets mutant-EGFR kinase with a distinct binding conformation.
Oncotarget, 7, 2016
5GMP
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BU of 5gmp by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with XTF-262
分子名称: Epidermal growth factor receptor, N-[3-[2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide
著者Yan, X.E, Yun, C.H.
登録日2016-07-14
公開日2017-06-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.797 Å)
主引用文献A structure-guided optimization of pyrido[2,3-d]pyrimidin-7-ones as selective inhibitors of EGFR(L858R/T790M) mutant with improved pharmacokinetic properties.
Eur J Med Chem, 126, 2017
5GNK
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BU of 5gnk by Molmil
Crystal structure of EGFR 696-988 T790M in complex with LXX-6-34
分子名称: 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, CHLORIDE ION, ...
著者Yan, X.E, Yun, C.H.
登録日2016-07-21
公開日2017-04-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.796 Å)
主引用文献Discovery of (R)-1-(3-(4-Amino-3-(3-chloro-4-(pyridin-2-ylmethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one (CHMFL-EGFR-202) as a Novel Irreversible EGFR Mutant Kinase Inhibitor with a Distinct Binding Mode.
J. Med. Chem., 60, 2017
5GTY
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BU of 5gty by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with LXX-6-26
分子名称: 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, Epidermal growth factor receptor
著者Yan, X.E, Yun, C.H.
登録日2016-08-23
公開日2017-09-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Discovery and characterization of a novel irreversible EGFR mutants selective and potent kinase inhibitor CHMFL-EGFR-26 with a distinct binding mode.
Oncotarget, 8, 2017
6JXT
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BU of 6jxt by Molmil
Crystal structure of EGFR 696-1022 WT in complex with AZD9291 prepared by cocrystallization
分子名称: CHLORIDE ION, Epidermal growth factor receptor, N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
著者Yun, C.H, Zhu, S.J, Yan, X.E.
登録日2019-04-25
公開日2020-04-29
最終更新日2020-11-04
実験手法X-RAY DIFFRACTION (2.307 Å)
主引用文献Structural Basis of AZD9291 Selectivity for EGFR T790M.
J.Med.Chem., 63, 2020
6JX0
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BU of 6jx0 by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with AZD9291 prepared by co-crystallization
分子名称: CHLORIDE ION, Epidermal growth factor receptor, N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
著者Yun, C.H, Yan, X.E, Zhu, S.J.
登録日2019-04-21
公開日2020-04-22
最終更新日2020-11-04
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Structural Basis of AZD9291 Selectivity for EGFR T790M.
J.Med.Chem., 63, 2020
6JWL
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BU of 6jwl by Molmil
Crystal structure of EGFR 696-1022 L858R in complex with AZD9291
分子名称: Epidermal growth factor receptor, N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
著者Yun, C.H, Zhu, S.J, Yan, X.E.
登録日2019-04-21
公開日2020-04-22
最終更新日2020-11-04
実験手法X-RAY DIFFRACTION (2.551 Å)
主引用文献Structural Basis of AZD9291 Selectivity for EGFR T790M.
J.Med.Chem., 63, 2020
6JX4
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BU of 6jx4 by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with AZD9291 prepared by soaking
分子名称: Epidermal growth factor receptor, N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
著者Zhu, S.J, Yan, X.E, Yun, C.H.
登録日2019-04-22
公開日2020-04-22
最終更新日2020-11-04
実験手法X-RAY DIFFRACTION (2.531 Å)
主引用文献Structural Basis of AZD9291 Selectivity for EGFR T790M.
J.Med.Chem., 63, 2020
6JOK
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BU of 6jok by Molmil
Crystal structure of PDGFRA in complex with sunitinib by soaking
分子名称: CHLORIDE ION, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide, Platelet-derived growth factor receptor alpha
著者Liang, L, Yan, X.E, Yun, C.H.
登録日2019-03-22
公開日2020-03-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Crystal structure of PDGFRA in complex with sunitinib by soaking
To Be Published
6JOJ
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BU of 6joj by Molmil
Crystal structure of PDGFRA T674I in complex with crenolanib by soaking
分子名称: 1-(2-{5-[(3-Methyloxetan-3-yl)methoxy]-1H-benzimidazol-1-yl}quinolin-8-yl)piperidin-4-amine, CHLORIDE ION, Platelet-derived growth factor receptor alpha, ...
著者Liang, L, Yan, X.E, Yun, C.H.
登録日2019-03-22
公開日2020-03-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of PDGFRA in complex with crenolanib by soaking
To Be Published
6JOL
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BU of 6jol by Molmil
Crystal structure of PDGFRA in complex with imatinib by co-crystallization
分子名称: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Platelet-derived growth factor receptor alpha
著者Liang, L, Yan, X.E, Yun, C.H.
登録日2019-03-22
公開日2020-03-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of PDGFRA in complex with imatinib by co-crystallization
To Be Published
6JOI
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BU of 6joi by Molmil
Crystal structure of PDGFRA T674I in complex with crenolanib by co-crystallization
分子名称: 1-(2-{5-[(3-Methyloxetan-3-yl)methoxy]-1H-benzimidazol-1-yl}quinolin-8-yl)piperidin-4-amine, Platelet-derived growth factor receptor alpha
著者Liang, L, Yan, X.E, Yun, C.H.
登録日2019-03-22
公開日2020-03-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal structure of PDGFRA T674I in complex with crenolanib by co-crystallization
To Be Published
5X26
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BU of 5x26 by Molmil
Crystal structure of EGFR 696-1022 L858R in complex with SKLB(3)
分子名称: CHLORIDE ION, Epidermal growth factor receptor, N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-9-propan-2-yl-purine-2,8-diamine
著者Yun, C.H.
登録日2017-01-31
公開日2018-02-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.951 Å)
主引用文献Structural insights into drug development strategy targeting EGFR T790M/C797S.
Oncotarget, 9, 2018
5X2K
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BU of 5x2k by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with WZ4003
分子名称: Epidermal growth factor receptor, N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide
著者Zhu, S.J, Zhao, P, Yun, C.H.
登録日2017-02-01
公開日2018-02-21
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.201 Å)
主引用文献Structural insights into drug development strategy targeting EGFR T790M/C797S.
Oncotarget, 9, 2018
5XGM
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BU of 5xgm by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with Go6976
分子名称: 12-(2-Cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole, Epidermal growth factor receptor
著者Kong, L.L, Yun, C.H.
登録日2017-04-14
公開日2017-10-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.952 Å)
主引用文献Structural pharmacological studies on EGFR T790M/C797S.
Biochem. Biophys. Res. Commun., 488, 2017
5XGN
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BU of 5xgn by Molmil
Crystal structure of EGFR 696-1022 T790M/C797S in complex with Go6976
分子名称: 12-(2-Cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole, CHLORIDE ION, Epidermal growth factor receptor
著者Kong, L.L, Yun, C.H.
登録日2017-04-14
公開日2017-10-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural pharmacological studies on EGFR T790M/C797S.
Biochem. Biophys. Res. Commun., 488, 2017
5X2A
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BU of 5x2a by Molmil
Crystal structure of EGFR 696-1022 T790M/V948R in complex with SKLB(3)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Epidermal growth factor receptor, ...
著者Yun, C.H.
登録日2017-01-31
公開日2018-02-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural insights into drug development strategy targeting EGFR T790M/C797S.
Oncotarget, 9, 2018

 

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