5X2C
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![BU of 5x2c by Molmil](/molmil-images/mine/5x2c) | 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
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6LUD
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![BU of 6lud by Molmil](/molmil-images/mine/6lud) | Crystal Structure of EGFR(L858R/T790M/C797S) in complex with Osimertinib | 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: | Kawauchi, H, Fukami, T.A, Sato, S, Endo, M, Torizawa, T, Kashima, K, Chiba, T, Sakamoto, H. | Deposit date: | 2020-01-27 | Release date: | 2020-10-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | CH7233163 Overcomes Osimertinib-Resistant EGFR-Del19/T790M/C797S Mutation. Mol.Cancer Ther., 19, 2020
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3W2R
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![BU of 3w2r by Molmil](/molmil-images/mine/3w2r) | EGFR Kinase domain T790M/L858R mutant with compound 4 | Descriptor: | 1,2-ETHANEDIOL, 1-{3-[2-chloro-4-({5-[2-(2-hydroxyethoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phenoxy]phenyl}-3-cyclohexylurea, Epidermal growth factor receptor | Authors: | Sogabe, S, Kawakita, Y, Igaki, S. | Deposit date: | 2012-12-03 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors. Acs Med.Chem.Lett., 4, 2013
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3W2P
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![BU of 3w2p by Molmil](/molmil-images/mine/3w2p) | EGFR Kinase domain T790M/L858R mutant with compound 2 | Descriptor: | Epidermal growth factor receptor, N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-4-(dimethylamino)butanamide | Authors: | Sogabe, S, Kawakita, Y, Igaki, S. | Deposit date: | 2012-12-03 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors. Acs Med.Chem.Lett., 4, 2013
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6XL4
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![BU of 6xl4 by Molmil](/molmil-images/mine/6xl4) | EGFR(T790M/V948R) in complex with AZD9291 and DDC4002 | Descriptor: | 10-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one, Epidermal growth factor receptor, MAGNESIUM ION, ... | Authors: | Heppner, D.E, Beyett, T.S, Eck, M.J. | Deposit date: | 2020-06-28 | Release date: | 2021-06-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Molecular basis for cooperative binding and synergy of ATP-site and allosteric EGFR inhibitors. Nat Commun, 13, 2022
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4UV7
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![BU of 4uv7 by Molmil](/molmil-images/mine/4uv7) | The complex structure of extracellular domain of EGFR and GC1118A | Descriptor: | 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: | Yoo, J.H, Cho, H.S. | Deposit date: | 2014-08-05 | Release date: | 2015-10-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Gc1118, an Anti-Egfr Antibody with a Distinct Binding Epitope and Superior Inhibitory Activity Against High-Affinity Egfr Ligands. Mol.Cancer Ther., 15, 2016
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7ZYQ
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![BU of 7zyq by Molmil](/molmil-images/mine/7zyq) | Crystal Structure of EGFR-T790M/V948R in Complex with Reversible Aminopyrimidine 13 | Descriptor: | CHLORIDE ION, Epidermal growth factor receptor, SODIUM ION, ... | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2022-05-25 | Release date: | 2023-05-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Addressing the Osimertinib Resistance Mutation EGFR-L858R/C797S with Reversible Aminopyrimidines. Acs Med.Chem.Lett., 14, 2023
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6V6O
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![BU of 6v6o by Molmil](/molmil-images/mine/6v6o) | EGFR(T790M/V948R) in complex with LN2380 | Descriptor: | CHLORIDE ION, Epidermal growth factor receptor, N-[3-({4-[4-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide | Authors: | Heppner, D.E, Eck, M.J. | Deposit date: | 2019-12-05 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Basis for EGFR Mutant Inhibition by Trisubstituted Imidazole Inhibitors. J.Med.Chem., 63, 2020
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8FV3
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![BU of 8fv3 by Molmil](/molmil-images/mine/8fv3) | EGFR(T790M/V948R) in complex with compound 1 (LN4503) | Descriptor: | Epidermal growth factor receptor, MAGNESIUM ION, N-{(4P)-4-[(4P)-5-{3-[(8-fluoro-11-oxo-5,11-dihydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)methyl]phenyl}-2-(methylsulfanyl)-1H-imidazol-4-yl]pyridin-2-yl}acetamide, ... | Authors: | Ogboo, B.C, Heppner, D.E. | Deposit date: | 2023-01-18 | Release date: | 2024-01-17 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Linking ATP and allosteric sites to achieve superadditive binding with bivalent EGFR kinase inhibitors. Commun Chem, 7, 2024
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5CAS
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![BU of 5cas by Molmil](/molmil-images/mine/5cas) | EGFR kinase domain mutant "TMLR" 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, 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 (2.1 Å) | Cite: | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015
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3OB2
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![BU of 3ob2 by Molmil](/molmil-images/mine/3ob2) | |
8PO1
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![BU of 8po1 by Molmil](/molmil-images/mine/8po1) | |
8PO3
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![BU of 8po3 by Molmil](/molmil-images/mine/8po3) | |
5HG9
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![BU of 5hg9 by Molmil](/molmil-images/mine/5hg9) | EGFR (L858R, T790M, V948R) in complex with 1-[(3R,4R)-3-[({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-(trifluoromethyl)pyrrolidin-1-yl]prop-2-en-1-one | Descriptor: | 1-[(3R,4R)-3-[({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one, Epidermal growth factor receptor, GLYCEROL, ... | Authors: | Gajiwala, K.S. | Deposit date: | 2016-01-08 | Release date: | 2016-02-03 | Last modified: | 2016-03-23 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of 1-{(3R,4R)-3-[({5-Chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (PF-06459988), a Potent, WT Sparing, Irreversible Inhibitor of T790M-Containing EGFR Mutants. J.Med.Chem., 59, 2016
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7JXP
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![BU of 7jxp by Molmil](/molmil-images/mine/7jxp) | EGFR kinase (T790M/V948R) in complex with osimertinib and JBJ-04-125-02 | Descriptor: | (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{1-oxo-6-[4-(piperazin-1-yl)phenyl]-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ... | Authors: | Beyett, T.S, Eck, M.J. | Deposit date: | 2020-08-27 | Release date: | 2021-09-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Molecular basis for cooperative binding and synergy of ATP-site and allosteric EGFR inhibitors Nat Commun, 13, 2022
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8D73
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![BU of 8d73 by Molmil](/molmil-images/mine/8d73) | Crystal Structure of EGFR LRTM with compound 7 | Descriptor: | (3S,4R)-3-fluoro-1-(4-{[4-(methylamino)-1-(propan-2-yl)pyrido[3,4-d]pyridazin-7-yl]amino}pyrimidin-2-yl)piperidin-4-ol, Epidermal growth factor receptor, GLYCEROL | Authors: | Kim, J.L. | Deposit date: | 2022-06-07 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Discovery of BLU-945, a Reversible, Potent, and Wild-Type-Sparing Next-Generation EGFR Mutant Inhibitor for Treatment-Resistant Non-Small-Cell Lung Cancer. J.Med.Chem., 65, 2022
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7JXM
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![BU of 7jxm by Molmil](/molmil-images/mine/7jxm) | EGFR kinase (T790M/V948R) in complex with osimertinib and EAI045 | Descriptor: | (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, ... | Authors: | Beyett, T.S, Eck, M.J. | Deposit date: | 2020-08-27 | Release date: | 2021-09-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.192 Å) | Cite: | Molecular basis for cooperative binding and synergy of ATP-site and allosteric EGFR inhibitors Nat Commun, 13, 2022
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7T4J
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![BU of 7t4j by Molmil](/molmil-images/mine/7t4j) | Crystal Structure of EGFR_D770_N771insNPG/V948R in complex with TAK-788 | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, Epidermal growth factor receptor, ... | Authors: | Skene, R.J, Lane, W, Hu, Y. | Deposit date: | 2021-12-10 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of mobocertinib, a potent, oral inhibitor of EGFR exon 20 insertion mutations in non-small cell lung cancer. Bioorg.Med.Chem.Lett., 80, 2022
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8HV6
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![BU of 8hv6 by Molmil](/molmil-images/mine/8hv6) | Crystal structure of EGFR_TMX in complex with covalently bound fragment 8 | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ... | Authors: | Dokurno, P. | Deposit date: | 2022-12-26 | Release date: | 2023-12-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase. Rsc Med Chem, 14, 2023
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8HV5
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![BU of 8hv5 by Molmil](/molmil-images/mine/8hv5) | Crystal structure of EGFR_DMX in complex with compound 7 | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Epidermal growth factor receptor, ~{N}-(1-methylbenzimidazol-4-yl)prop-2-enamide | Authors: | Dokurno, P. | Deposit date: | 2022-12-26 | Release date: | 2023-12-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase. Rsc Med Chem, 14, 2023
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8HV4
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![BU of 8hv4 by Molmil](/molmil-images/mine/8hv4) | Crystal structure of EGFR_TMX in complex with covalently bound fragment 4 | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Dokurno, P. | Deposit date: | 2022-12-26 | Release date: | 2023-12-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase. Rsc Med Chem, 14, 2023
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5X2F
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![BU of 5x2f by Molmil](/molmil-images/mine/5x2f) | 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
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6V6K
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![BU of 6v6k by Molmil](/molmil-images/mine/6v6k) | EGFR(T790M/V948R) in complex with LN2057 | Descriptor: | CHLORIDE ION, Epidermal growth factor receptor, N-[3-({4-[4-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide | Authors: | Heppner, D.E, Eck, M.J. | Deposit date: | 2019-12-05 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Basis for EGFR Mutant Inhibition by Trisubstituted Imidazole Inhibitors. J.Med.Chem., 63, 2020
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6DUK
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![BU of 6duk by Molmil](/molmil-images/mine/6duk) | EGFR with an allosteric inhibitor | Descriptor: | (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{1-oxo-6-[4-(piperazin-1-yl)phenyl]-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ... | Authors: | Park, E, Eck, M.J. | Deposit date: | 2018-06-21 | Release date: | 2019-06-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Single and Dual Targeting of Mutant EGFR with an Allosteric Inhibitor. Cancer Discov, 9, 2019
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8FV4
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![BU of 8fv4 by Molmil](/molmil-images/mine/8fv4) | EGFR(T790M/V948R) in complex with compound 2 (LN5993) | Descriptor: | Epidermal growth factor receptor, MAGNESIUM ION, N-{(3P)-3-[(4P)-4-(2-acetamidopyridin-4-yl)-2-(methylsulfanyl)-1H-imidazol-5-yl]phenyl}-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepine-9-carboxamide, ... | Authors: | Ogboo, B.C, Beyett, T.S, Eck, M.J, Heppner, D.E. | Deposit date: | 2023-01-18 | Release date: | 2024-01-17 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Linking ATP and allosteric sites to achieve superadditive binding with bivalent EGFR kinase inhibitors. Commun Chem, 7, 2024
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