4I23
| Crystal structure of the wild-type EGFR kinase domain in complex with dacomitinib (soaked) | Descriptor: | (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide, Epidermal growth factor receptor | Authors: | Gajiwala, K.S, Feng, J, Ferre, R, Ryan, K, Brodsky, O, Stewart, A. | Deposit date: | 2012-11-21 | Release date: | 2013-01-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition. Structure, 21, 2013
|
|
4HZS
| |
4I21
| Crystal structure of L858R + T790M EGFR kinase domain in complex with MIG6 peptide | Descriptor: | ERBB receptor feedback inhibitor 1, Epidermal growth factor receptor | Authors: | Gajiwala, K.S, Feng, J, Ferre, R, Ryan, K, Brodsky, O, Stewart, A. | Deposit date: | 2012-11-21 | Release date: | 2013-01-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.37 Å) | Cite: | Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition. Structure, 21, 2013
|
|
4HZR
| Crystal structure of Ack1 kinase domain | Descriptor: | 1,2-ETHANEDIOL, Activated CDC42 kinase 1, CHLORIDE ION, ... | Authors: | Gajiwala, K.S. | Deposit date: | 2012-11-15 | Release date: | 2013-02-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Ack1: activation and regulation by allostery. Plos One, 8, 2013
|
|
4I20
| Crystal structure of monomeric (V948R) primary oncogenic mutant L858R EGFR kinase domain | Descriptor: | Epidermal growth factor receptor | Authors: | Gajiwala, K.S, Feng, J, Ferre, R, Ryan, K, Brodsky, O, Stewart, A. | Deposit date: | 2012-11-21 | Release date: | 2013-01-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.34 Å) | Cite: | Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition. Structure, 21, 2013
|
|
4I24
| Structure of T790M EGFR kinase domain co-crystallized with dacomitinib | Descriptor: | (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide, Epidermal growth factor receptor | Authors: | Gajiwala, K.S, Feng, J, Ferre, R, Ryan, K, Brodsky, O, Stewart, A. | Deposit date: | 2012-11-21 | Release date: | 2013-01-16 | Last modified: | 2013-02-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition. Structure, 21, 2013
|
|
4I22
| Structure of the monomeric (V948R)gefitinib/erlotinib resistant double mutant (L858R+T790M) EGFR kinase domain co-crystallized with gefitinib | Descriptor: | Epidermal growth factor receptor, Gefitinib, SULFATE ION | Authors: | Gajiwala, K.S, Feng, J, Ferre, R, Ryan, K, Brodsky, O, Stewart, A. | Deposit date: | 2012-11-21 | Release date: | 2013-01-16 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition. Structure, 21, 2013
|
|
4I1Z
| Crystal structure of the monomeric (V948R) form of the gefitinib/erlotinib resistant EGFR kinase domain L858R+T790M | Descriptor: | Epidermal growth factor receptor | Authors: | Gajiwala, K.S, Feng, J, Ferre, R, Ryan, K, Brodsky, O, Stewart, A. | Deposit date: | 2012-11-21 | Release date: | 2013-01-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition. Structure, 21, 2013
|
|
3HEK
| |
3IL5
| Structure of E. faecalis FabH in complex with 2-({4-bromo-3-[(diethylamino)sulfonyl]benzoyl}amino)benzoic acid | Descriptor: | 2-({[4-bromo-3-(diethylsulfamoyl)phenyl]carbonyl}amino)benzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 3 | Authors: | Gajiwala, K.S, Margosiak, S, Lu, J, Cortez, J, Su, Y, Nie, Z, Appelt, K. | Deposit date: | 2009-08-06 | Release date: | 2009-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures of bacterial FabH suggest a molecular basis for the substrate specificity of the enzyme. Febs Lett., 583, 2009
|
|
3IL6
| Structure of E. faecalis FabH in complex with 2-({4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-phenoxybenzoyl}amino)benzoic acid | Descriptor: | 2-[({4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-phenoxyphenyl}carbonyl)amino]benzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 3, SULFATE ION | Authors: | Gajiwala, K.S, Margosiak, S, Lu, J, Cortez, J, Su, Y, Nie, Z, Appelt, K. | Deposit date: | 2009-08-06 | Release date: | 2009-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of bacterial FabH suggest a molecular basis for the substrate specificity of the enzyme. Febs Lett., 583, 2009
|
|
3IL9
| Structure of E. coli FabH | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3 | Authors: | Gajiwala, K.S, Margosiak, S, Lu, J, Cortez, J, Su, Y, Nie, Z, Appelt, K. | Deposit date: | 2009-08-06 | Release date: | 2009-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structures of bacterial FabH suggest a molecular basis for the substrate specificity of the enzyme. Febs Lett., 583, 2009
|
|
3IL7
| Crystal structure of S. aureus FabH | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3 | Authors: | Gajiwala, K.S, Margosiak, S, Lu, J, Cortez, J, Su, Y, Nie, Z, Appelt, K. | Deposit date: | 2009-08-06 | Release date: | 2009-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures of bacterial FabH suggest a molecular basis for the substrate specificity of the enzyme. Febs Lett., 583, 2009
|
|
3IL3
| Structure of Haemophilus influenzae FabH | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3 | Authors: | Gajiwala, K.S, Margosiak, S, Lu, J, Cortez, J, Su, Y, Nie, Z, Appelt, K. | Deposit date: | 2009-08-06 | Release date: | 2009-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structures of bacterial FabH suggest a molecular basis for the substrate specificity of the enzyme. Febs Lett., 583, 2009
|
|
3IL4
| Structure of E. faecalis FabH in complex with acetyl CoA | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3, ACETYL COENZYME *A | Authors: | Gajiwala, K.S, Margosiak, S, Lu, J, Cortez, J, Su, Y, Nie, Z, Appelt, K. | Deposit date: | 2009-08-06 | Release date: | 2009-08-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structures of bacterial FabH suggest a molecular basis for the substrate specificity of the enzyme. Febs Lett., 583, 2009
|
|
3K98
| HSP90 N-terminal domain in complex with (1R)-2-(5-chloro-2,4-dihydroxybenzoyl)-N-ethylisoindoline-1-carboxamide | Descriptor: | (1R)-2-[(5-chloro-2,4-dihydroxyphenyl)carbonyl]-N-ethyl-2,3-dihydro-1H-isoindole-1-carboxamide, Heat shock protein HSP 90-alpha, PHOSPHATE ION | Authors: | Gajiwala, K.S, Davies II, J.F. | Deposit date: | 2009-10-15 | Release date: | 2010-02-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Dihydroxyphenylisoindoline amides as orally bioavailable inhibitors of the heat shock protein 90 (hsp90) molecular chaperone. J.Med.Chem., 53, 2010
|
|
3K99
| HSP90 N-terminal domain in complex with 4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol | Descriptor: | 4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol, Heat shock protein HSP 90-alpha | Authors: | Gajiwala, K.S, Davies II, J.F. | Deposit date: | 2009-10-15 | Release date: | 2010-02-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Dihydroxyphenylisoindoline amides as orally bioavailable inhibitors of the heat shock protein 90 (hsp90) molecular chaperone. J.Med.Chem., 53, 2010
|
|
3K97
| |
5UG8
| 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 | Descriptor: | Epidermal growth factor receptor, GLYCEROL, 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, ... | Authors: | Gajiwala, K.S, Ferre, R.A. | Deposit date: | 2017-01-07 | Release date: | 2017-03-22 | Last modified: | 2017-04-26 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR. J. Med. Chem., 60, 2017
|
|
5U8L
| Crystal structure of EGFR kinase domain in complex with a sulfonyl fluoride probe XO44 | Descriptor: | 4-[(4-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]-6-[(prop-2-yn-1-yl)carbamoyl]pyrimidin-2-yl}piperazin-1-yl)methyl]benzene-1-sulfonyl fluoride, Epidermal growth factor receptor, GLYCEROL, ... | Authors: | Gajiwala, K.S, Ferre, R. | Deposit date: | 2016-12-14 | Release date: | 2017-01-25 | Last modified: | 2017-02-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Broad-Spectrum Kinase Profiling in Live Cells with Lysine-Targeted Sulfonyl Fluoride Probes. J. Am. Chem. Soc., 139, 2017
|
|
5UG9
| 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 | Descriptor: | 1,2-ETHANEDIOL, Epidermal growth factor receptor, GLYCEROL, ... | Authors: | Gajiwala, K.S, Ferre, R.A. | Deposit date: | 2017-01-07 | Release date: | 2017-03-22 | Last modified: | 2018-10-10 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR. J. Med. Chem., 60, 2017
|
|
5U6C
| Crystal structure of the Mer kinase domain in complex with a macrocyclic inhibitor | Descriptor: | (10R)-7-amino-11-chloro-12-fluoro-1-(2-hydroxyethyl)-3,10,16-trimethyl-16,17-dihydro-1H-8,4-(azeno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one, Tyrosine-protein kinase Mer | Authors: | Gajiwala, K.S, Ferre, R.A. | Deposit date: | 2016-12-07 | Release date: | 2017-07-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Axl kinase domain in complex with a macrocyclic inhibitor offers first structural insights into an active TAM receptor kinase. J. Biol. Chem., 292, 2017
|
|
5UGA
| 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 | Descriptor: | 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium, Epidermal growth factor receptor, GLYCEROL, ... | Authors: | Gajiwala, K.S, Ferre, R.A. | Deposit date: | 2017-01-07 | Release date: | 2017-03-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR. J. Med. Chem., 60, 2017
|
|
5UGB
| |
5UWD
| |