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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
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
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2023-11-08
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
4R5S
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BU of 4r5s by Molmil
Crystal structure of EGFR 696-1022 L858R in complex with FIIN-3
分子名称: Epidermal growth factor receptor, N-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide
著者Zhu, S.J, Yun, C.H.
登録日2014-08-22
公開日2014-11-12
最終更新日2022-08-24
実験手法X-RAY DIFFRACTION (3.001 Å)
主引用文献Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors.
Proc.Natl.Acad.Sci.USA, 111, 2014
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
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
6JRK
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BU of 6jrk by Molmil
The structure of co-crystals of 8r-B-EGFR WT complex
分子名称: 6-(2-chloranyl-3-fluoranyl-phenyl)-5-methyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[(3S)-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one, Epidermal growth factor receptor
著者Zhu, S.J, Yun, C.H.
登録日2019-04-04
公開日2020-04-15
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.796 Å)
主引用文献Structure-Based Design of 5-Methylpyrimidopyridone Derivatives as New Wild-Type Sparing Inhibitors of the Epidermal Growth Factor Receptor Triple Mutant (EGFRL858R/T790M/C797S).
J.Med.Chem., 62, 2019
6JRJ
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BU of 6jrj by Molmil
The structure of co-crystals of 8r-B-EGFR T790M/C797S complex
分子名称: 6-(2-chloranyl-3-fluoranyl-phenyl)-5-methyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[(3S)-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one, Epidermal growth factor receptor
著者Zhu, S.J, Yun, C.H.
登録日2019-04-04
公開日2020-04-15
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.943 Å)
主引用文献Structure-Based Design of 5-Methylpyrimidopyridone Derivatives as New Wild-Type Sparing Inhibitors of the Epidermal Growth Factor Receptor Triple Mutant (EGFRL858R/T790M/C797S).
J.Med.Chem., 62, 2019
6JRX
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BU of 6jrx by Molmil
EGFR T790M/C797S in complex with compound 6i
分子名称: Epidermal growth factor receptor, N-{trans-4-[3-(2-chlorophenyl)-7-{[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]cyclohexyl}propanamide
著者Zhu, S.J, Yun, C.H.
登録日2019-04-06
公開日2020-04-15
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献Design, Synthesis, and Structure-Activity Relationships of 1,2,3-Triazole Benzenesulfonamides as New Selective Leucine-Zipper and Sterile-alpha Motif Kinase (ZAK) Inhibitors.
J.Med.Chem., 63, 2020
6JUU
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BU of 6juu by Molmil
Crystal structure of ZAK in complex with compound 6r
分子名称: Mitogen-activated protein kinase kinase kinase MLT, ~{N}-[2,4-bis(fluoranyl)-3-[4-(3-methoxy-1~{H}-pyrazolo[3,4-b]pyridin-5-yl)-1,2,3-triazol-1-yl]phenyl]naphthalene-1-sulfonamide
著者Kong, L.L, Yun, C.H.
登録日2019-04-15
公開日2020-04-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献Design, Synthesis, and Structure-Activity Relationships of 1,2,3-Triazole Benzenesulfonamides as New Selective Leucine-Zipper and Sterile-alpha Motif Kinase (ZAK) Inhibitors.
J.Med.Chem., 63, 2020
6JUT
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BU of 6jut by Molmil
Crystal structure of ZAK in complex with compound 6k
分子名称: Mitogen-activated protein kinase kinase kinase MLT, ~{N}-[2,4-bis(fluoranyl)-3-[4-(3-methoxy-1~{H}-pyrazolo[3,4-b]pyridin-5-yl)-1,2,3-triazol-1-yl]phenyl]-3-bromanyl-benzenesulfonamide
著者Kong, L.L, Yun, C.H.
登録日2019-04-15
公開日2019-07-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design, Synthesis, and Structure-Activity Relationships of 1,2,3-Triazole Benzenesulfonamides as New Selective Leucine-Zipper and Sterile-alpha Motif Kinase (ZAK) Inhibitors.
J.Med.Chem., 63, 2020
6JTD
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BU of 6jtd by Molmil
Crystal structure of TcCGT1 in complex with UDP
分子名称: 1,2-ETHANEDIOL, C-glycosyltransferase, URIDINE-5'-DIPHOSPHATE
著者Zhao, P, Yun, C.H.
登録日2019-04-10
公開日2019-06-19
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Molecular and Structural Characterization of a Promiscuous C-Glycosyltransferase from Trollius chinensis.
Angew.Chem.Int.Ed.Engl., 58, 2019
6LFZ
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BU of 6lfz by Molmil
Crystal structure of SbCGTb in complex with UDPG
分子名称: SbCGTb, URIDINE-5'-DIPHOSPHATE-GLUCOSE
著者Gao, H.M, Yun, C.H.
登録日2019-12-04
公開日2020-11-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.866 Å)
主引用文献Dissection of the general two-step di- C -glycosylation pathway for the biosynthesis of (iso)schaftosides in higher plants.
Proc.Natl.Acad.Sci.USA, 117, 2020
6LF6
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BU of 6lf6 by Molmil
Crystal structure of ZmCGTa in complex with UDP
分子名称: UDP-glycosyltransferase 708A6, URIDINE-5'-DIPHOSPHATE
著者Gao, H.M, Yun, C.H.
登録日2019-11-29
公開日2020-11-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.044 Å)
主引用文献Dissection of the general two-step di- C -glycosylation pathway for the biosynthesis of (iso)schaftosides in higher plants.
Proc.Natl.Acad.Sci.USA, 117, 2020
6LG1
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BU of 6lg1 by Molmil
Crystal structure of LpCGTa in complex with UDP
分子名称: LpCGTa, URIDINE-5'-DIPHOSPHATE
著者Gao, H.M, Yun, C.H.
登録日2019-12-04
公開日2020-11-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.047 Å)
主引用文献Dissection of the general two-step di- C -glycosylation pathway for the biosynthesis of (iso)schaftosides in higher plants.
Proc.Natl.Acad.Sci.USA, 117, 2020
6LG0
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BU of 6lg0 by Molmil
Crystal structure of SbCGTa in complex with UDP
分子名称: SbCGTa, URIDINE-5'-DIPHOSPHATE
著者Gao, H.M, Yun, C.H.
登録日2019-12-04
公開日2020-11-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.998 Å)
主引用文献Dissection of the general two-step di- C -glycosylation pathway for the biosynthesis of (iso)schaftosides in higher plants.
Proc.Natl.Acad.Sci.USA, 117, 2020
6LFN
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BU of 6lfn by Molmil
Crystal structure of LpCGTb
分子名称: LpCGTb, PHOSPHATE ION
著者Gao, H.M, Yun, C.H.
登録日2019-12-03
公開日2020-11-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.395 Å)
主引用文献Dissection of the general two-step di- C -glycosylation pathway for the biosynthesis of (iso)schaftosides in higher plants.
Proc.Natl.Acad.Sci.USA, 117, 2020
6M3G
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BU of 6m3g by Molmil
Crystal structure of human HPF1
分子名称: Histone PARylation factor 1
著者Sun, F.H, Yun, C.H.
登録日2020-03-03
公開日2021-03-03
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献HPF1 remodels the active site of PARP1 to enable the serine ADP-ribosylation of histones.
Nat Commun, 12, 2021
6M3I
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BU of 6m3i by Molmil
Crystal structure of HPF1/PARP1 complex
分子名称: BENZAMIDE, Histone PARylation factor 1, Poly [ADP-ribose] polymerase 1
著者Sun, F.H, Yun, C.H.
登録日2020-03-03
公開日2021-03-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献HPF1 remodels the active site of PARP1 to enable the serine ADP-ribosylation of histones.
Nat Commun, 12, 2021
6M3H
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BU of 6m3h by Molmil
Crystal structure of mouse HPF1
分子名称: Histone PARylation factor 1
著者Sun, F.H, Yun, C.H.
登録日2020-03-03
公開日2021-03-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献HPF1 remodels the active site of PARP1 to enable the serine ADP-ribosylation of histones.
Nat Commun, 12, 2021
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
6P1L
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BU of 6p1l by Molmil
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
6P1D
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BU of 6p1d by Molmil
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
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
4WPZ
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BU of 4wpz by Molmil
Crystal structure of cytochrome P450 CYP107W1 from Streptomyces avermitilis
分子名称: Cytochrome P450, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE
著者Kang, L.W, Kim, D.H, Pham, T.V, Han, S.H.
登録日2014-10-21
公開日2015-04-22
最終更新日2015-04-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Functional characterization of CYP107W1 from Streptomyces avermitilis and biosynthesis of macrolide oligomycin A.
Arch.Biochem.Biophys., 575, 2015

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