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8IZP
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BU of 8izp by Molmil
Multidrug resistance-associated protein 3
Descriptor: ATP-binding cassette sub-family C member 3
Authors:Yun, C.H, Gao, H.M.
Deposit date:2023-04-07
Release date:2024-04-10
Method:ELECTRON MICROSCOPY (3.31 Å)
Cite:structure of multidrug resistance-associated protein 3 at 3.31 Angstroms
To Be Published
8IZR
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BU of 8izr by Molmil
Multidrug resistance-associated protein 3
Descriptor: ATP-binding cassette sub-family C member 2
Authors:Yun, C.H, Gao, H.M.
Deposit date:2023-04-07
Release date:2024-04-10
Method:ELECTRON MICROSCOPY (3.62 Å)
Cite:structure of multidrug resistance-associated protein 2 at 3.62 Angstroms resolution
To Be Published
7BTT
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BU of 7btt by Molmil
A X-ray cocrystal structure of XMU-MP-5 bound to the ALK kinase domain
Descriptor: 2-(dimethylamino)-1-[5-methoxy-6-[[4-[(2-propan-2-ylsulfonylphenyl)amino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone, ALK tyrosine kinase receptor
Authors:Yun, C.H, Zhu, S.J.
Deposit date:2020-04-02
Release date:2021-04-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:A X-ray cocrystal structure of XMU-MP-5 bound to the ALK kinase domain
To Be Published
4WD5
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BU of 4wd5 by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with QL-X138
Descriptor: CHLORIDE ION, Epidermal growth factor receptor, N-{2-methyl-5-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1(2H)-yl]phenyl}propanamide
Authors:Yun, C.H, Eck, M.J.
Deposit date:2014-09-07
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structure of EGFR 696-1022 T790M in complex with QL-X138
To Be Published
4LL0
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BU of 4ll0 by Molmil
EGFR L858R/T790M in complex with PD168393
Descriptor: Epidermal growth factor receptor, N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}propanamide
Authors:Yun, C.H, Eck, M.J.
Deposit date:2013-07-09
Release date:2013-09-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (4 Å)
Cite:Mechanism for activation of mutated epidermal growth factor receptors in lung cancer.
Proc.Natl.Acad.Sci.USA, 110, 2013
4LRM
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BU of 4lrm by Molmil
EGFR D770_N771insNPG in complex with PD168393
Descriptor: Epidermal growth factor receptor, N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}propanamide
Authors:Yun, C.H, Eck, M.J.
Deposit date:2013-07-20
Release date:2014-01-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.526 Å)
Cite:Structural, Biochemical, and Clinical Characterization of Epidermal Growth Factor Receptor (EGFR) Exon 20 Insertion Mutations in Lung Cancer.
Sci Transl Med, 5, 2013
6P8Q
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BU of 6p8q by Molmil
EGFR in complex with a dihydrodibenzodiazepinone allosteric inhibitor.
Descriptor: 1,2-ETHANEDIOL, 10-benzyl-2-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one, ADENOSINE MONOPHOSPHATE, ...
Authors:Yun, C.H, Heppner, D.E, Eck, M.J.
Deposit date:2019-06-07
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery and Optimization of Dibenzodiazepinones as Allosteric Mutant-Selective EGFR Inhibitors.
Acs Med.Chem.Lett., 10, 2019
5J87
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BU of 5j87 by Molmil
Discovery of N-(3-(5-((3-acrylamido-4-(morpholine-4-carbonyl)phenyl)amino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl)-4-(tert-butyl)benzamide (CHMFL-BTK-01) as a Highly Selective Irreversible BTK Kinase Inhibitor
Descriptor: N-[3-(5-{[3-(acryloylamino)-4-(morpholine-4-carbonyl)phenyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl]-4-tert-butylbenzamide, Tyrosine-protein kinase BTK
Authors:Yun, C.H, Zhang, S.
Deposit date:2016-04-07
Release date:2017-04-19
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Discovery of N-(3-(5-((3-acrylamido-4-(morpholine-4-carbonyl)phenyl)amino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl)-4-(tert-butyl)benzamide (CHMFL-BTK-01) as a highly selective irreversible Bruton's tyrosine kinase (BTK) inhibitor.
Eur J Med Chem, 131, 2017
1RFJ
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BU of 1rfj by Molmil
Crystal Structure of Potato Calmodulin PCM6
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, calmodulin
Authors:Liang, D.C, Yun, C.H, Chang, W.R.
Deposit date:2003-11-10
Release date:2004-06-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of potato calmodulin PCM6: the first report of the three-dimensional structure of a plant calmodulin.
Acta Crystallogr.,Sect.D, 60, 2004
1TGR
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BU of 1tgr by Molmil
Crystal Structure of mini-IGF-1(2)
Descriptor: Insulin-like growth factor IA
Authors:Liang, D.C, Yun, C.H, Chang, W.R.
Deposit date:2004-05-29
Release date:2004-12-28
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:1.42A crystal structure of mini-IGF-1(2): an analysis of the disulfide isomerization property and receptor binding property of IGF-1 based on the three-dimensional structure
Biochem.Biophys.Res.Commun., 326, 2004
5CZH
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BU of 5czh by Molmil
EGFR L858R MUTANT IN COMPLEX WITH AN OPTIMAL PEPTIDE SUBSTRATE
Descriptor: Epidermal growth factor receptor, Peptide substrate
Authors:Yun, C.H, Eck, M.J.
Deposit date:2015-07-31
Release date:2015-09-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:EGF-receptor specificity for phosphotyrosine-primed substrates provides signal integration with Src.
Nat.Struct.Mol.Biol., 22, 2015
5CZI
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BU of 5czi by Molmil
EGFR L858R MUTANT IN COMPLEX WITH A SHC PEPTIDE SUBSTRATE
Descriptor: Epidermal growth factor receptor, SHC Peptide substrate
Authors:Yun, C.H, Eck, M.J.
Deposit date:2015-07-31
Release date:2015-09-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:EGF-receptor specificity for phosphotyrosine-primed substrates provides signal integration with Src.
Nat.Struct.Mol.Biol., 22, 2015
5X2A
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BU of 5x2a by Molmil
Crystal structure of EGFR 696-1022 T790M/V948R in complex with SKLB(3)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Epidermal growth factor receptor, ...
Authors:Yun, C.H.
Deposit date:2017-01-31
Release date:2018-02-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural insights into drug development strategy targeting EGFR T790M/C797S.
Oncotarget, 9, 2018
5X28
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BU of 5x28 by Molmil
Crystal structure of EGFR 696-1022 L858R in complex with SKLB(6)
Descriptor: 9-cyclohexyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine, CHLORIDE ION, Epidermal growth factor receptor
Authors:Yun, C.H.
Deposit date:2017-01-31
Release date:2018-02-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.952 Å)
Cite:Structural insights into drug development strategy targeting EGFR T790M/C797S.
Oncotarget, 9, 2018
5X2C
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BU of 5x2c by Molmil
Crystal structure of EGFR 696-1022 T790M/V948R in complex with SKLB(5)
Descriptor: 1,2-ETHANEDIOL, 9-cyclopentyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine, CHLORIDE ION, ...
Authors:Yun, C.H.
Deposit date:2017-01-31
Release date:2018-02-21
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural insights into drug development strategy targeting EGFR T790M/C797S.
Oncotarget, 9, 2018
5X2F
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BU of 5x2f by Molmil
Crystal structure of EGFR 696-1022 T790M/V948R in complex with SKLB(6)
Descriptor: 9-cyclohexyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine, Epidermal growth factor receptor
Authors:Yun, C.H.
Deposit date:2017-01-31
Release date:2018-02-07
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural insights into drug development strategy targeting EGFR T790M/C797S.
Oncotarget, 9, 2018
5X27
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BU of 5x27 by Molmil
Crystal structure of EGFR 696-1022 L858R in complex with SKLB(5)
Descriptor: 9-cyclopentyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine, CHLORIDE ION, Epidermal growth factor receptor
Authors:Yun, C.H.
Deposit date:2017-01-31
Release date:2018-02-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.952 Å)
Cite:Structural insights into drug development strategy targeting EGFR T790M/C797S.
Oncotarget, 9, 2018
5X26
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BU of 5x26 by Molmil
Crystal structure of EGFR 696-1022 L858R in complex with SKLB(3)
Descriptor: CHLORIDE ION, Epidermal growth factor receptor, N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-9-propan-2-yl-purine-2,8-diamine
Authors:Yun, C.H.
Deposit date:2017-01-31
Release date:2018-02-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.951 Å)
Cite:Structural insights into drug development strategy targeting EGFR T790M/C797S.
Oncotarget, 9, 2018
4LQM
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BU of 4lqm by Molmil
EGFR L858R in complex with PD168393
Descriptor: CHLORIDE ION, Epidermal growth factor receptor, N-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-6-YL]-ACRYLAMIDE
Authors:Yun, C.H, Eck, M.J.
Deposit date:2013-07-19
Release date:2014-01-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural, Biochemical, and Clinical Characterization of Epidermal Growth Factor Receptor (EGFR) Exon 20 Insertion Mutations in Lung Cancer.
Sci Transl Med, 5, 2013
6JXT
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BU of 6jxt by Molmil
Crystal structure of EGFR 696-1022 WT in complex with AZD9291 prepared by cocrystallization
Descriptor: 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
Authors:Yun, C.H, Zhu, S.J, Yan, X.E.
Deposit date:2019-04-25
Release date:2020-04-29
Last modified:2020-11-04
Method:X-RAY DIFFRACTION (2.307 Å)
Cite: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
Descriptor: 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
Authors:Yun, C.H, Yan, X.E, Zhu, S.J.
Deposit date:2019-04-21
Release date:2020-04-22
Last modified:2020-11-04
Method:X-RAY DIFFRACTION (2.53 Å)
Cite: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
Descriptor: 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
Authors:Yun, C.H, Zhu, S.J, Yan, X.E.
Deposit date:2019-04-21
Release date:2020-04-22
Last modified:2020-11-04
Method:X-RAY DIFFRACTION (2.551 Å)
Cite:Structural Basis of AZD9291 Selectivity for EGFR T790M.
J.Med.Chem., 63, 2020
4RZK
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BU of 4rzk by Molmil
Crystal structure of Sulfolobus solfataricus Hsp20.1 ACD
Descriptor: Small heat shock protein hsp20 family
Authors:Liang, L, Yun, C.H.
Deposit date:2014-12-22
Release date:2015-12-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.677 Å)
Cite: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
7ER2
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BU of 7er2 by Molmil
Crystal structure of EGFR 696-1022 T790M/C797S in complex with LS_2_40
Descriptor: 5-chloranyl-N2-[3-chloranyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-N4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine, Epidermal growth factor receptor
Authors:Zhu, S.J, Yun, C.H.
Deposit date:2021-05-05
Release date:2022-04-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.662 Å)
Cite:Optimization of Brigatinib as New Wild-Type Sparing Inhibitors of EGFR T790M/C797S Mutants.
Acs Med.Chem.Lett., 13, 2022
5HH0
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BU of 5hh0 by Molmil
Crystal structure of human Naa60 in complex with CoA
Descriptor: COENZYME A, N-alpha-acetyltransferase 60
Authors:Chen, J.Y, Liu, L, Yun, C.H.
Deposit date:2016-01-09
Release date:2016-09-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure and function of human Naa60 (NatF), a Golgi-localized bi-functional acetyltransferase
Sci Rep, 6, 2016

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