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1JM1
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BU of 1jm1 by Molmil
Crystal structure of the soluble domain of the Rieske protein II (soxF) from Sulfolobus acidocaldarius
Descriptor: FE2/S2 (INORGANIC) CLUSTER, MAGNESIUM ION, Rieske iron-sulfur protein soxF
Authors:Boenisch, H, Schmidt, C.L, Schaefer, G, Ladenstein, R.
Deposit date:2001-07-17
Release date:2002-07-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:The structure of the soluble domain of an archaeal Rieske iron-sulfur protein at 1.1 A resolution.
J.Mol.Biol., 319, 2002
5HID
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BU of 5hid by Molmil
BRAF Kinase domain b3aC loop deletion mutant in complex with AZ628
Descriptor: 3-(2-cyanopropan-2-yl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide, DI(HYDROXYETHYL)ETHER, Serine/threonine-protein kinase B-raf
Authors:Whalen, D.M, Foster, S.A, Ozen, A, Wongchenko, M, Yin, J, Schaefer, G, Mayfield, J, Chmielecki, J, Stephens, P, Albacker, L, Yan, Y, Song, K, Hatzivassiliou, G, Eigenbrot, C, Yu, C, Shaw, A.S, Manning, G, Skelton, N.J, Hymowitz, S.G, Malek, S.
Deposit date:2016-01-11
Release date:2016-04-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2.
Cancer Cell, 29, 2016
5HI2
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BU of 5hi2 by Molmil
BRAF Kinase domain b3aC loop deletion mutant in complex with sorafenib
Descriptor: 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, Serine/threonine-protein kinase B-raf
Authors:Whalen, D.M, Foster, S.A, Ozen, A, Wongchenko, M, Yin, J, Schaefer, G, Mayfield, J, Chmielecki, J, Stephens, P, Albacker, L, Yan, Y, Song, K, Hatzivassiliou, G, Eigenbrot, C, Yu, C, Shaw, A.S, Manning, G, Skelton, N.J, Hymowitz, S.G, Malek, S.
Deposit date:2016-01-11
Release date:2016-04-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.512 Å)
Cite:Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2.
Cancer Cell, 29, 2016
5HIE
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BU of 5hie by Molmil
BRAF Kinase domain b3aC loop deletion mutant in complex with dabrafenib
Descriptor: Dabrafenib, Serine/threonine-protein kinase B-raf
Authors:Whalen, D.M, Foster, S.A, Ozen, A, Wongchenko, M, Yin, J, Schaefer, G, Mayfield, J, Chmielecki, J, Stephens, P, Albacker, L, Yan, Y, Song, K, Hatzivassiliou, G, Eigenbrot, C, Yu, C, Shaw, A.S, Manning, G, Skelton, N.J, Hymowitz, S.G, Malek, S.
Deposit date:2016-01-11
Release date:2016-04-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2.
Cancer Cell, 29, 2016
3P11
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BU of 3p11 by Molmil
anti-EGFR/HER3 Fab DL11 in complex with domains I-III of the HER3 extracellular region
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab DL11 heavy chain, ...
Authors:Eigenbrot, C, Shia, S.
Deposit date:2010-09-29
Release date:2011-10-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:A two-in-one antibody against HER3 and EGFR has superior inhibitory activity compared with monospecific antibodies.
Cancer Cell, 20, 2011
3P0Y
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BU of 3p0y by Molmil
anti-EGFR/HER3 Fab DL11 in complex with domain III of EGFR extracellular region
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor receptor, ...
Authors:Eigenbrot, C, Shia, S.
Deposit date:2010-09-29
Release date:2011-10-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A two-in-one antibody against HER3 and EGFR has superior inhibitory activity compared with monospecific antibodies.
Cancer Cell, 20, 2011
3P0V
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BU of 3p0v by Molmil
anti-EGFR/HER3 Fab DL11 alone
Descriptor: CALCIUM ION, Fab DL11 heavy chain, Fab DL11 light chain
Authors:Eigenbrot, C, Shia, S.
Deposit date:2010-09-29
Release date:2011-10-19
Last modified:2012-03-21
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:A two-in-one antibody against HER3 and EGFR has superior inhibitory activity compared with monospecific antibodies.
Cancer Cell, 20, 2011
5HIB
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BU of 5hib by Molmil
EGFR kinase domain mutant "TMLR" with a pyrazolopyrimidine inhibitor
Descriptor: Epidermal growth factor receptor, N-tert-butyl-5-{[(1-methyl-1H-pyrazol-5-yl)sulfonyl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide
Authors:Eigenbrot, C, Yu, C.
Deposit date:2016-01-11
Release date:2016-04-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2.
Cancer Cell, 29, 2016
5HIC
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BU of 5hic by Molmil
EGFR kinase domain mutant "TMLR" with a imidazopyridinyl-aminopyrimidine inhibitor
Descriptor: Epidermal growth factor receptor, N-{2-[1-(cyclopropylsulfonyl)-1H-pyrazol-4-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-amine, SULFATE ION
Authors:Eigenbrot, C, Yu, C.
Deposit date:2016-01-11
Release date:2016-04-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2.
Cancer Cell, 29, 2016
3N85
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BU of 3n85 by Molmil
Crystallographic trimer of HER2 extracellular regions in complex with tryptophan-rich antibody fragment
Descriptor: CHLORIDE ION, Fab37 Heavy Chain, Fab37 Light Chain, ...
Authors:Eigenbrot, C.
Deposit date:2010-05-27
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of the complex between HER2 and an antibody paratope formed by side chains from tryptophan and serine.
J.Mol.Biol., 402, 2010
4RJ6
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BU of 4rj6 by Molmil
EGFR kinase (T790M/L858R) with inhibitor compound 4
Descriptor: Epidermal growth factor receptor, N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)-3H-imidazo[4,5-c]pyridin-6-amine, SULFATE ION
Authors:Eigenbrot, C, Yu, C.
Deposit date:2014-10-08
Release date:2014-11-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of Selective and Noncovalent Diaminopyrimidine-Based Inhibitors of Epidermal Growth Factor Receptor Containing the T790M Resistance Mutation.
J.Med.Chem., 57, 2014
4RJ4
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BU of 4rj4 by Molmil
EGFR kinase (T790M/L858R) with inhibitor compound 6
Descriptor: Epidermal growth factor receptor, N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-(propan-2-yl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
Authors:Eigenbrot, C, Yu, C.
Deposit date:2014-10-08
Release date:2014-11-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Discovery of Selective and Noncovalent Diaminopyrimidine-Based Inhibitors of Epidermal Growth Factor Receptor Containing the T790M Resistance Mutation.
J.Med.Chem., 57, 2014
4RJ5
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BU of 4rj5 by Molmil
EGFR kinase (T790M/L858R) with inhibitor compound 5
Descriptor: Epidermal growth factor receptor, N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
Authors:Eigenbrot, C, Yu, C.
Deposit date:2014-10-08
Release date:2014-11-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Discovery of Selective and Noncovalent Diaminopyrimidine-Based Inhibitors of Epidermal Growth Factor Receptor Containing the T790M Resistance Mutation.
J.Med.Chem., 57, 2014
4RJ8
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BU of 4rj8 by Molmil
EGFR kinase (T790M/L858R) with inhibitor compound 8
Descriptor: 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine, Epidermal growth factor receptor, SULFATE ION
Authors:Eigenbrot, C, Yu, C.
Deposit date:2014-10-08
Release date:2014-11-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of Selective and Noncovalent Diaminopyrimidine-Based Inhibitors of Epidermal Growth Factor Receptor Containing the T790M Resistance Mutation.
J.Med.Chem., 57, 2014
4RJ7
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BU of 4rj7 by Molmil
EGFR kinase (T790M/L858R) with inhibitor compound 1
Descriptor: 2,6-dichloro-N-{2-[(2-{[(2S)-1-hydroxypropan-2-yl]amino}-6-methylpyrimidin-4-yl)amino]pyridin-4-yl}benzamide, Epidermal growth factor receptor, SULFATE ION
Authors:Eigenbrot, C, Yu, C.
Deposit date:2014-10-08
Release date:2014-11-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of Selective and Noncovalent Diaminopyrimidine-Based Inhibitors of Epidermal Growth Factor Receptor Containing the T790M Resistance Mutation.
J.Med.Chem., 57, 2014
4RJ3
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BU of 4rj3 by Molmil
CDK2 with EGFR inhibitor compound 8
Descriptor: 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine, ACETATE ION, Cyclin-dependent kinase 2
Authors:Eigenbrot, C, Yin, J.
Deposit date:2014-10-08
Release date:2014-11-26
Last modified:2015-01-14
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Discovery of Selective and Noncovalent Diaminopyrimidine-Based Inhibitors of Epidermal Growth Factor Receptor Containing the T790M Resistance Mutation.
J.Med.Chem., 57, 2014
5HCY
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BU of 5hcy by Molmil
EGFR kinase domain mutant "TMLR" with 3-carboxamide azaindole compound 13
Descriptor: 6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-~{N}-(oxan-4-yl)-1-propan-2-yl-pyrrolo[3,2-c]pyridine-3-carboxamide, Epidermal growth factor receptor, SULFATE ION
Authors:Eigenbrot, C, Yu, C.
Deposit date:2016-01-04
Release date:2016-09-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Discovery of a Noncovalent, Mutant-Selective Epidermal Growth Factor Receptor Inhibitor.
J.Med.Chem., 59, 2016
5HCX
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BU of 5hcx by Molmil
EGFR kinase domain mutant "TMLR" with azabenzimidazole compound 7
Descriptor: Epidermal growth factor receptor, SULFATE ION, ~{N}-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-2-methyl-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine
Authors:Eigenbrot, C, Yu, C.
Deposit date:2016-01-04
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of a Noncovalent, Mutant-Selective Epidermal Growth Factor Receptor Inhibitor.
J.Med.Chem., 59, 2016
5HCZ
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BU of 5hcz by Molmil
EGFR kinase domain mutant "TMLR" with 3-azetidinyl azaindazole compound 21
Descriptor: 2-[1-[1-[(2~{S})-butan-2-yl]-6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]pyrazolo[4,3-c]pyridin-3-yl]azetidin-3-yl]propan-2-ol, Epidermal growth factor receptor, SULFATE ION
Authors:Eigenbrot, C, Yu, C.
Deposit date:2016-01-04
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Discovery of a Noncovalent, Mutant-Selective Epidermal Growth Factor Receptor Inhibitor.
J.Med.Chem., 59, 2016
5CAL
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BU of 5cal by Molmil
EGFR kinase domain mutant "TMLR" with compound 24
Descriptor: 2,2-dimethyl-3-[(4-{[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)amino]propanamide, Epidermal growth factor receptor
Authors:Eigenbrot, C, Yu, C.
Deposit date:2015-06-29
Release date:2015-10-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
5C8N
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BU of 5c8n by Molmil
EGFR kinase domain mutant "TMLR" with compound 23
Descriptor: Epidermal growth factor receptor, N-{2-[4-(2-aminoethyl)-4-methoxypiperidin-1-yl]pyrimidin-4-yl}-2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-amine, SULFATE ION
Authors:Eigenbrot, C, Yu, C.
Deposit date:2015-06-25
Release date:2015-10-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
5C8K
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BU of 5c8k by Molmil
EGFR kinase domain mutant "TMLR" with compound 1
Descriptor: 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-imidazo[4,5-c]pyridin-6-amine, Epidermal growth factor receptor
Authors:Eigenbrot, C, Yu, C.
Deposit date:2015-06-25
Release date:2015-10-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
5CAP
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BU of 5cap by Molmil
EGFR kinase domain mutant "TMLR" with compound 30
Descriptor: 2-methyl-N-[2-(2-methyl-2-methylsulfonyl-propoxy)pyrimidin-4-yl]-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine, Epidermal growth factor receptor, SULFATE ION
Authors:Eigenbrot, C, Yu, C.
Deposit date:2015-06-29
Release date:2015-10-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
5CAO
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BU of 5cao by Molmil
EGFR kinase domain mutant "TMLR" with compound 29
Descriptor: Epidermal growth factor receptor, N~2~-[2-methyl-2-(methylsulfonyl)propyl]-N~4~-[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]pyrimidine-2,4-diamine
Authors:Eigenbrot, C, Yu, C.
Deposit date:2015-06-29
Release date:2015-10-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
5CAV
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BU of 5cav by Molmil
EGFR kinase domain with compound 41a
Descriptor: (1R)-1-{6-({2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl}ethanol, Epidermal growth factor receptor
Authors:Eigenbrot, C, Yu, C.
Deposit date:2015-06-30
Release date:2015-10-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015

 

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