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PDB: 79 件

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
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2024-10-23
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
4RZK
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BU of 4rzk by Molmil
Crystal structure of Sulfolobus solfataricus Hsp20.1 ACD
分子名称: Small heat shock protein hsp20 family
著者Liang, L, Yun, C.H.
登録日2014-12-22
公開日2015-12-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.677 Å)
主引用文献Crystal structure and function of an unusual dimeric Hsp20.1 provide insight into the thermal protection mechanism of small heat shock proteins.
Biochem.Biophys.Res.Commun., 2015
4YL9
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BU of 4yl9 by Molmil
Crystal Structure of wild-type of hsp14.1 from Sulfolobus solfatataricus P2
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Heat shock protein Hsp20
著者Liu, L, Chen, J.Y, Yun, C.H.
登録日2015-03-05
公開日2015-11-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.353 Å)
主引用文献Active-State Structures of a Small Heat-Shock Protein Revealed a Molecular Switch for Chaperone Function
Structure, 23, 2015
4YLB
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BU of 4ylb by Molmil
Crystal Structure of A102D mutant of hsp14.1 from Sulfolobus solfatataricus P2
分子名称: CHLORIDE ION, Heat shock protein Hsp20
著者Liu, L, Chen, J.Y, Yun, C.H.
登録日2015-03-05
公開日2015-11-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Active-State Structures of a Small Heat-Shock Protein Revealed a Molecular Switch for Chaperone Function
Structure, 23, 2015
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
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
4YLC
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BU of 4ylc by Molmil
Crystal Structure of Del-C4 mutant of hsp14.1 from Sulfolobus solfatataricus P2
分子名称: CHLORIDE ION, Heat shock protein Hsp20
著者Liu, L, Chen, J.Y, Yun, C.H.
登録日2015-03-05
公開日2015-11-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Active-State Structures of a Small Heat-Shock Protein Revealed a Molecular Switch for Chaperone Function
Structure, 23, 2015
4Z21
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BU of 4z21 by Molmil
Crystal structure of ARNO Sec7
分子名称: 1,2-ETHANEDIOL, Cytohesin-2
著者Zhu, S.J, Yun, C.H.
登録日2015-03-28
公開日2016-05-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Lack of evidence that CYTH2/ARNO functions as an intracellular EGFR activator
To Be Published
5DH3
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BU of 5dh3 by Molmil
Crystal structure of MST2 in complex with XMU-MP-1
分子名称: 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, ...
著者Kong, L.L, Yun, C.H.
登録日2015-08-29
公開日2016-08-31
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.468 Å)
主引用文献Pharmacological targeting of kinases MST1 and MST2 augments tissue repair and regeneration
Sci Transl Med, 8, 2016
6IEG
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BU of 6ieg by Molmil
Crystal structure of human MTR4
分子名称: ADENOSINE-5'-DIPHOSPHATE, Exosome RNA helicase MTR4, MAGNESIUM ION
著者Chen, J.Y, Yun, C.H.
登録日2018-09-14
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.55 Å)
主引用文献NRDE2 negatively regulates exosome functions by inhibiting MTR4 recruitment and exosome interaction.
Genes Dev., 33, 2019
6IEH
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BU of 6ieh by Molmil
Crystal structures of the hMTR4-NRDE2 complex
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Exosome RNA helicase MTR4, ...
著者Chen, J.Y, Yun, C.H.
登録日2018-09-14
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.892 Å)
主引用文献NRDE2 negatively regulates exosome functions by inhibiting MTR4 recruitment and exosome interaction.
Genes Dev., 33, 2019
4K11
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BU of 4k11 by Molmil
The structure of 1NA in complex with Src T338G
分子名称: 1-tert-butyl-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src
著者Eck, M.J, Yun, C.H.
登録日2013-04-04
公開日2014-04-09
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The structure of 1NA in complex with Src T338G
To be Published
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2024-10-23
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2024-10-09
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
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2024-10-23
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
5HH1
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BU of 5hh1 by Molmil
Crystal structure of human Naa60 mutant - F34A in complex with CoA
分子名称: COENZYME A, N-alpha-acetyltransferase 60
著者Chen, J.Y, Liu, L, Yun, C.H.
登録日2016-01-09
公開日2016-09-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.803 Å)
主引用文献Structure and function of human Naa60 (NatF), a Golgi-localized bi-functional acetyltransferase
Sci Rep, 6, 2016
5HU9
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BU of 5hu9 by Molmil
Crystal structure of ABL1 in complex with CHMFL-074
分子名称: 1,2-ETHANEDIOL, 4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]oxy}phenyl)-3-(trifluoromethyl)benzamide, CHLORIDE ION, ...
著者Kong, L.L, Yun, C.H.
登録日2016-01-27
公開日2016-07-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.529 Å)
主引用文献Discovery and characterization of a novel potent type II native and mutant BCR-ABL inhibitor (CHMFL-074) for Chronic Myeloid Leukemia (CML)
Oncotarget, 7, 2016
5HH0
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BU of 5hh0 by Molmil
Crystal structure of human Naa60 in complex with CoA
分子名称: COENZYME A, N-alpha-acetyltransferase 60
著者Chen, J.Y, Liu, L, Yun, C.H.
登録日2016-01-09
公開日2016-09-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure and function of human Naa60 (NatF), a Golgi-localized bi-functional acetyltransferase
Sci Rep, 6, 2016
5HGZ
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BU of 5hgz by Molmil
Crystal structure of human Naa60 in complex with acetyl-CoA
分子名称: ACETYL COENZYME *A, MALONIC ACID, N-alpha-acetyltransferase 60
著者Chen, J.Y, Liu, L, Yun, C.H.
登録日2016-01-09
公開日2016-09-14
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.383 Å)
主引用文献Structure and function of human Naa60 (NatF), a Golgi-localized bi-functional acetyltransferase
Sci Rep, 6, 2016
5GWN
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BU of 5gwn by Molmil
Crystal structure of human RCC2
分子名称: Protein RCC2, SULFATE ION
著者Liang, L, Yun, C.H, Yin, Y.X.
登録日2016-09-12
公開日2017-09-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.309 Å)
主引用文献RCC2 is a novel p53 target in suppressing metastasis.
Oncogene, 37, 2018
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
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2024-10-16
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
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

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件を2024-10-30に公開中

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