Index | Ligand Name | Structure | PDB code | ligand desolvation |
1 | 57n | EGFR kinase domain in complex with mutant selective allosteric inhibitor | 5d41 | 97.87 |
2 | jbj | EGFR with an allosteric inhibitor | 6duk | 95.1 |
3 | 80u | Crystal structure of EGFR 696-988 T790M in complex with LXX-6-34 | 5gnk | 95.1 |
4 | 9ll | Crystal structure of EGFR 675-1022 T790M/C797S/V948R in complex with EAI045 | 5zwj | 93 |
5 | w2r | EGFR kinase domain with compound4 | 3w2s | 91.47 |
6 | 63n | EGFR kinase domain mutant ""TMLR"" with a imidazopyridinyl-aminopyrimidine inhibitor | 5hic | 91.11 |
7 | w2r | EGFR Kinase domain T790M/L858R mutant with compound 4 | 3w2r | 90.49 |
8 | w19 | EGFR kinase domain complexed with compound 19b | 3w33 | 89.29 |
9 | 60b | EGFR kinase domain mutant ""TMLR"" with azabenzimidazole compound 7 | 5hcx | 88.53 |
10 | 63m | EGFR kinase domain mutant ""TMLR"" with a pyrazolopyrimidine inhibitor | 5hib | 88.48 |
11 | 03p | EGFR Kinase domain complexed with tak-285 | 3poz | 88.11 |
12 | hyz | Structure of EGFR in complex with hydrazone, a potent dual inhibitor | 2rgp | 88.09 |
13 | 4zh | EGFR kinase domain mutant ""TMLR"" with compound 30 | 5cap | 87.95 |
14 | 1e8 | Crystal structure of EGFR 696-1022 T790M in complex with Ibrutinib | 5yu9 | 86.98 |
15 | 4z8 | EGFR kinase domain mutant ""TMLR"" with compound 24 | 5cal | 86.88 |
16 | fmm | EGFR kinase domain complexed with a quinazoline inhibitor- GW572016 | 1xkk | 86.64 |
17 | 4zg | EGFR kinase domain mutant ""TMLR"" with compound 29 | 5cao | 86.45 |
18 | djk | Crystal structure of EGFR kinase domain in complex with an irreversible inhibitor 34-jab | 2j5f | 86.38 |
19 | 4zb | EGFR kinase domain mutant ""TMLR"" with compound 27 | 5can | 86 |
20 | w32 | EGFR kinase domain complexed with compound 20a | 3w32 | 85.44 |
21 | 6hl | EGFR-T790M in complex with pyrazolopyrimidine inhibitor 1b | 5j9y | 85.34 |
22 | 6hj | EGFR-T790M in complex with pyrazolopyrimidine inhibitor 1a | 5j9z | 85.23 |
23 | 1c9 | Structure of T790M EGFR kinase domain co-crystallized with dacomitinib | 4i24 | 84.7 |
24 | pox | X-ray structure of EGFR in complex with oxime inhibitor | 3bel | 84.59 |
25 | iti | EGFR kinase domain complexed with an imidazo[2,1-b]thiazole inhibitor | 3lzb | 84.21 |
26 | 5n3 | EGFR kinase (T790M/L858R) with inhibitor compound 15: ~{N}-(7-chloranyl-1~{H}-indazol-3-yl)-7,7-dimethyl-2-(1~{H}-pyrazol-4-yl)-5~{H}-furo[3,4-d]pyrimidin-4-amine | 5edq | 83.9 |
27 | djk | EGFR L858R in complex with PD168393 | 4lqm | 83.12 |
28 | 4yw | EGFR kinase domain mutant ""TMLR"" with compound 17 | 5c8m | 82.92 |
29 | 1c9 | Crystal structure of the wild-type EGFR kinase domain in complex with dacomitinib (soaked) | 4i23 | 82.57 |
30 | 4zj | EGFR kinase domain mutant ""TMLR"" with compound 33 | 5caq | 82.54 |
31 | 8bp | Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide | 5ug8 | 82.53 |
32 | 5n4 | EGFR kinase (T790M/L858R) with inhibitor compound 27: ~{N}-(1~{H}-indazol-3-yl)-7,7-dimethyl-2-(2-methylpyrazol-3-yl)-5~{H}-furo[3,4-d]pyrimidin-4-amine | 5edr | 82.23 |
33 | 4yv | EGFR kinase domain mutant ""TMLR"" with compound 1 | 5c8k | 82.18 |
34 | 3qs | EGFR kinase (T790M/L858R) with inhibitor compound 8 | 4rj8 | 82.01 |
35 | kjr | Crystal structure of EGFR kinase domain in complex with compound 3g | 4jr3 | 81.92 |
36 | kjq | Crystal structure of EGFR kinase domain in complex with compound 2a | 4jq7 | 81.86 |
37 | 8am | Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide | 5ug9 | 81.49 |
38 | 4zq | EGFR kinase domain mutant ""TMLR"" with compound 41a | 5cas | 81.29 |
39 | 4zr | EGFR kinase domain mutant ""TMLR"" with compound 41b | 5cau | 81.04 |
40 | kj8 | Crystal structure of EGFR kinase domain in complex with compound 4b | 4jq8 | 80.92 |
41 | 4zq | EGFR kinase domain with compound 41a | 5cav | 80.31 |
42 | 63a | 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 | 5hg9 | 79.84 |
43 | kjv | Crystal structure of EGFR kinase domain in complex with compound 4c | 4jrv | 79.83 |
44 | 8bs | Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide | 5ugc | 79.43 |
45 | 60d | EGFR kinase domain mutant ""TMLR"" with 3-carboxamide azaindole compound 13 | 5hcy | 79.39 |
46 | aq4 | Crystal structure of the inactive EGFR tyrosine kinase domain with erlotinib | 4hjo | 79.25 |
47 | 4yx | EGFR kinase domain mutant ""TMLR"" with compound 23 | 5c8n | 78.92 |
48 | 630 | EGFR (L858R, T790M, V948R) in complex with 1-{(3R,4R)-3-[5-Chloro-2-(1-methyl-1H-pyrazol-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-yloxymethyl]-4-methoxy-pyrrolidin-1-yl}propenone (PF-06459988) | 5hg7 | 78.61 |
49 | 3r1 | EGFR kinase (T790M/L858R) with inhibitor compound 1 | 4rj7 | 78.6 |
50 | 7xo | Crystal structure of EGFR 696-1022 T790M/V948R in complex with SKLB(3) | 5x2a | 77.75 |
51 | 634 | EGFR (L858R, T790M, V948R) in complex with N-[3-({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]prop-2-enamide | 5hg8 | 77.54 |
52 | 3qw | EGFR kinase (T790M/L858R) with inhibitor compound 6 | 4rj4 | 77.37 |
53 | 60e | EGFR kinase domain mutant ""TMLR"" with 3-azetidinyl azaindazole compound 21 | 5hcz | 77.3 |
54 | 3r0 | EGFR kinase (T790M/L858R) with inhibitor compound 4 | 4rj6 | 75.78 |
55 | 5x4 | EGFR kinase domain T790M mutant in complex with a covalent aminobenzimidazole inhibitor. | 5fee | 75.66 |
56 | o44 | Crystal structure of EGFR kinase domain in complex with a sulfonyl fluoride probe XO44 | 5u8l | 75.51 |
57 | 03p | EGFR Kinase domain T790M/L858R Mutant with TAK-285 | 3w2o | 75.48 |
58 | fzp | Discovery of a Highly Potent and Broadly Effective EGFR and HER2 Exon 20 Insertion Mutant Inhibitor | 6d8e | 75.09 |
59 | hki | EGFR kinase domain T790M/L858R mutant with HKI-272 | 3w2q | 74.93 |
60 | ire | 1.85 angstrom structure of EGFR kinase domain with gefitinib | 4wkq | 74.71 |
61 | ire | Crystal structure of EGFR kinase domain L858R mutation in complex with Iressa | 2itz | 74.57 |
62 | aee | Crystal structure of EGFR kinase domain G719S mutation in complex with AEE788 | 2itp | 74.56 |
63 | 0wn | Crystal structure of EGFR kinase in complex with BIBW2992 | 4g5j | 73.94 |
64 | aq4 | Epidermal Growth Factor Receptor tyrosine kinase domain with 4-anilinoquinazoline inhibitor erlotinib | 1m17 | 73.62 |
65 | aee | Crystal structure of EGFR kinase domain L858R mutation in complex with AEE788 | 2itt | 73.52 |
66 | 7xo | Crystal structure of EGFR 696-1022 L858R in complex with SKLB(3) | 5x26 | 73.42 |
67 | 5x4 | EGFR kinase domain in complex with a covalent aminobenzimidazole inhibitor. | 5fed | 73.27 |
68 | 7xr | Crystal structure of EGFR 696-1022 L858R in complex with SKLB(5) | 5x27 | 73.2 |
69 | 7xr | Crystal structure of EGFR 696-1022 T790M/V948R in complex with SKLB(5) | 5x2c | 72.92 |
70 | ire | Structure of the monomeric (V948R)gefitinib/erlotinib resistant double mutant (L858R+T790M) EGFR kinase domain co-crystallized with gefitinib | 4i22 | 72.92 |
71 | 5q3 | EGFR kinase domain mutant ""TMLR"" with pyridone compound 19: 4-[(2-azanylpyrimidin-4-yl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide | 5em6 | 72.26 |
72 | w2p | EGFR Kinase domain T790M/L858R mutant with compound 2 | 3w2p | 72.05 |
73 | 5q4 | EGFR kinase domain mutant ""TMLR"" with pyridone compound 13: 4-[(2-methoxyphenyl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide | 5em7 | 71.61 |
74 | 7xu | Crystal structure of EGFR 696-1022 T790M/V948R in complex with SKLB(6) | 5x2f | 71.05 |
75 | 5q2 | EGFR kinase domain mutant ""TMLR"" with pyridone compound 2: 4-[2-(4-chlorophenyl)ethylamino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide | 5em5 | 70.99 |
76 | 81c | Crystal structure of EGFR 696-1022 T790M in complex with JTS-1-39 | 5gtz | 70.26 |
77 | 7xu | Crystal structure of EGFR 696-1022 L858R in complex with SKLB(6) | 5x28 | 69.36 |
78 | 8bm | Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium | 5uga | 69.3 |
79 | 0un | Crystal Structure of EGFR 696-1022 T790M Mutant Covalently Binding to WZ4002 | 3ika | 67.75 |
80 | 633 | EGFR (L858R, T790M, V948R) in complex with N-{3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}prop-2-enamide | 5hg5 | 67.08 |
81 | l0n | Crystal Structure of EGFR-T790M/C797S in Complex with Covalent Pyrrolopyrimidine 19h | 6s8a | 66.47 |
82 | f62 | Crystal structure of EGFR 696-1022 T790M in complex with XTF-262 | 5gmp | 66.13 |
83 | 5q4 | EGFR kinase domain with pyridone compound 13: 4-[(2-methoxyphenyl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide | 5em8 | 65.82 |
84 | 8bm | Crystal structure of the EGFR kinase domain in complex with 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium | 5ugb | 65.44 |
85 | ire | Crystal structure of the mutated EGFR kinase domain (G719S/T790M) in complex with gefitinib | 3ug2 | 63.45 |
86 | yy3 | AZD9291 complex with wild type EGFR | 4zau | 59.15 |
87 | l0q | Crystal Structure of EGFR-T790M/C797S in Complex with Covalent Pyrrolopyrimidine 19g | 6s89 | 54.25 |
88 | 0wm | Crystal structure of EGFR kinase in complex with BIBW2992 | 4g5j | 36.5 |