Author results

4LRM
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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
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
4LL0
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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:2013-10-09
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
1RFJ
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CRYSTAL STRUCTURE OF POTATO CALMODULIN PCM6
Descriptor:calmodulin, CALCIUM ION, (4S)-2-METHYL-2,4-PENTANEDIOL
Authors:Liang, D.C., Yun, C.H., Chang, W.R.
Deposit date:2003-11-10
Release date:2004-06-29
Last modified:2017-10-11
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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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:2017-08-23
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
4LQM
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EGFR L858R IN COMPLEX WITH PD168393
Descriptor:Epidermal growth factor receptor, N-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-6-YL]-ACRYLAMIDE, CHLORIDE ION
Authors:Yun, C.H., Eck, M.J.
Deposit date:2013-07-19
Release date:2014-01-15
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
4WD5
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CRYSTAL STRUCTURE OF EGFR 696-1022 T790M IN COMPLEX WITH QL-X138
Descriptor: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, CHLORIDE ION
Authors:Yun, C.H., Eck, M.J.
Deposit date:2014-09-07
Release date:2016-05-04
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structure of EGFR 696-1022 T790M in complex with QL-X138
To Be Published
5CZH
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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:2015-12-23
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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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:2015-12-23
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
5J87
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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:Tyrosine-protein kinase BTK, 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
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
5X26
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CRYSTAL STRUCTURE OF EGFR 696-1022 L858R IN COMPLEX WITH SKLB(3)
Descriptor:Epidermal growth factor receptor, N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-9-propan-2-yl-purine-2,8-diamine, CHLORIDE ION
Authors:Yun, C.H.
Deposit date:2017-01-31
Release date:2018-02-07
Last modified:2018-04-11
Method:X-RAY DIFFRACTION (2.951 Å)
Cite:Structural insights into drug development strategy targeting EGFR T790M/C797S.
Oncotarget, 9, 2018
5X27
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CRYSTAL STRUCTURE OF EGFR 696-1022 L858R IN COMPLEX WITH SKLB(5)
Descriptor:Epidermal growth factor receptor, 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:2018-02-07
Last modified:2018-04-11
Method:X-RAY DIFFRACTION (2.952 Å)
Cite:Structural insights into drug development strategy targeting EGFR T790M/C797S.
Oncotarget, 9, 2018
5X28
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CRYSTAL STRUCTURE OF EGFR 696-1022 L858R IN COMPLEX WITH SKLB(6)
Descriptor:Epidermal growth factor receptor, 9-cyclohexyl-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:2018-02-07
Last modified:2018-04-11
Method:X-RAY DIFFRACTION (2.952 Å)
Cite:Structural insights into drug development strategy targeting EGFR T790M/C797S.
Oncotarget, 9, 2018
5X2A
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CRYSTAL STRUCTURE OF EGFR 696-1022 T790M/V948R IN COMPLEX WITH SKLB(3)
Descriptor:Epidermal growth factor receptor, CHLORIDE ION, ethane-1,2-diol, ...
Authors:Yun, C.H.
Deposit date:2017-01-31
Release date:2018-02-07
Last modified:2018-04-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural insights into drug development strategy targeting EGFR T790M/C797S.
Oncotarget, 9, 2018
5X2C
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CRYSTAL STRUCTURE OF EGFR 696-1022 T790M/V948R IN COMPLEX WITH SKLB(5)
Descriptor:Epidermal growth factor receptor, ethane-1,2-diol, 9-cyclopentyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine, ...
Authors:Yun, C.H.
Deposit date:2017-01-31
Release date:2018-02-21
Last modified:2018-04-11
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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CRYSTAL STRUCTURE OF EGFR 696-1022 T790M/V948R IN COMPLEX WITH SKLB(6)
Descriptor:Epidermal growth factor receptor, 9-cyclohexyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine
Authors:Yun, C.H.
Deposit date:2017-01-31
Release date:2018-02-07
Last modified:2018-04-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural insights into drug development strategy targeting EGFR T790M/C797S.
Oncotarget, 9, 2018
4K11
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THE STRUCTURE OF 1NA IN COMPLEX WITH SRC T338G
Descriptor:Proto-oncogene tyrosine-protein kinase Src, 1-tert-butyl-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Authors:Eck, M.J., Yun, C.H.
Deposit date:2013-04-04
Release date:2014-04-09
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The structure of 1NA in complex with Src T338G
To be Published
4R5S
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CRYSTAL STRUCTURE OF EGFR 696-1022 L858R IN COMPLEX WITH FIIN-3
Descriptor: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
Authors:Zhu, S.J., Yun, C.H.
Deposit date:2014-08-22
Release date:2014-11-12
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors.
Proc.Natl.Acad.Sci.USA, 2014
4RZK
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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
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
4YL9
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CRYSTAL STRUCTURE OF WILD-TYPE OF HSP14.1 FROM SULFOLOBUS SOLFATATARICUS P2
Descriptor:Heat shock protein Hsp20, CALCIUM ION, 1,2-ETHANEDIOL
Authors:Liu, L., Chen, J.Y., Yun, C.H.
Deposit date:2015-03-05
Release date:2015-11-04
Last modified:2015-11-18
Method:X-RAY DIFFRACTION (2.353 Å)
Cite:Active-State Structures of a Small Heat-Shock Protein Revealed a Molecular Switch for Chaperone Function
Structure, 23, 2015
4YLB
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CRYSTAL STRUCTURE OF A102D MUTANT OF HSP14.1 FROM SULFOLOBUS SOLFATATARICUS P2
Descriptor:Heat shock protein Hsp20, CHLORIDE ION
Authors:Liu, L., Chen, J.Y., Yun, C.H.
Deposit date:2015-03-05
Release date:2015-11-04
Last modified:2015-11-18
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Active-State Structures of a Small Heat-Shock Protein Revealed a Molecular Switch for Chaperone Function
Structure, 23, 2015
4YLC
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CRYSTAL STRUCTURE OF DEL-C4 MUTANT OF HSP14.1 FROM SULFOLOBUS SOLFATATARICUS P2
Descriptor:Heat shock protein Hsp20, CHLORIDE ION
Authors:Liu, L., Chen, J.Y., Yun, C.H.
Deposit date:2015-03-05
Release date:2015-11-04
Last modified:2015-11-18
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Active-State Structures of a Small Heat-Shock Protein Revealed a Molecular Switch for Chaperone Function
Structure, 23, 2015
4Z21
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CRYSTAL STRUCTURE OF ARNO SEC7
Descriptor:Cytohesin-2, 1,2-ETHANEDIOL
Authors:Zhu, S.J., Yun, C.H.
Deposit date:2015-03-28
Release date:2016-05-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Lack of evidence that CYTH2/ARNO functions as an intracellular EGFR activator
To Be Published
4ZSE
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CRYSTAL STRUCTURE OF EGFR 696-1022 T790M/V948R, CRYSTAL FORM II
Descriptor:Epidermal growth factor receptor, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, MAGNESIUM ION, ...
Authors:Yan, X.E., Yun, C.H.
Deposit date:2015-05-13
Release date:2016-06-15
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Ibrutinib Selectively and Irreversibly Targets EGFR-mutant non-Small Cell Lung Cancer Cells
To Be Published
5DH3
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CRYSTAL STRUCTURE OF MST2 IN COMPLEX WITH XMU-MP-1
Descriptor:Serine/threonine-protein kinase 3, 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, ...
Authors:Kong, L.L., Yun, C.H.
Deposit date:2015-08-29
Release date:2016-08-31
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.468 Å)
Cite:Pharmacological targeting of kinases MST1 and MST2 augments tissue repair and regeneration
Sci Transl Med, 8, 2016
5GNK
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CRYSTAL STRUCTURE OF EGFR 696-988 T790M IN COMPLEX WITH LXX-6-34
Descriptor:Epidermal growth factor receptor, 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, NITRATE ION, ...
Authors:Yan, X.E., Yun, C.H.
Deposit date:2016-07-21
Release date:2017-04-05
Last modified:2017-12-06
Method:X-RAY DIFFRACTION (1.796 Å)
Cite: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
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