1DJ8 | |
1DP7 | | COCRYSTAL STRUCTURE OF RFX-DBD IN COMPLEX WITH ITS COGNATE X-BOX BINDING SITE | | Descriptor: | DNA (5'-D(*CP*GP*(BRU)P*TP*AP*CP*CP*AP*(BRU)P*GP*GP*TP*AP*AP*CP*G)-3'), MHC CLASS II TRANSCRIPTION FACTOR HRFX1, 1,2-ETHANEDIOL, ... | | Authors: | Gajiwala, K.S., Chen, H., Cornille, F., Roques, B.P., Reith, W., Mach, B., Burley, S.K. | | Deposit date: | 1999-12-23 | | Release date: | 2000-03-06 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of the winged-helix protein hRFX1 reveals a new mode of DNA binding.
Nature, 403, 2000
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1TA8 | |
1TAE | |
3G0E | | KIT KINASE DOMAIN IN COMPLEX WITH SUNITINIB | | Descriptor: | Mast/stem cell growth factor receptor, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide | | Authors: | Gajiwala, K.S., Wu, J.C., Lunney, E.A., Gemetri, G.D. | | Deposit date: | 2009-01-27 | | Release date: | 2009-02-24 | | Last modified: | 2017-08-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | KIT kinase mutants show unique mechanisms of drug resistance to imatinib and sunitinib in gastrointestinal stromal tumor patients.
Proc.Natl.Acad.Sci.USA, 106, 2009
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3G0F | | KIT KINASE DOMAIN MUTANT D816H IN COMPLEX WITH SUNITINIB | | Descriptor: | Mast/stem cell growth factor receptor, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide, SULFATE ION | | Authors: | Gajiwala, K.S., Wu, J.C., Lunney, E.A., Demetri, G.D. | | Deposit date: | 2009-01-27 | | Release date: | 2009-02-24 | | Last modified: | 2017-08-16 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | KIT kinase mutants show unique mechanisms of drug resistance to imatinib and sunitinib in gastrointestinal stromal tumor patients.
Proc.Natl.Acad.Sci.USA, 106, 2009
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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: | 2011-07-13 | | 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
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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: | 2018-01-24 | | 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
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3IL5 | | STRUCTURE OF E. FAECALIS FABH IN COMPLEX WITH 2-({4-BROMO-3-[(DIETHYLAMINO)SULFONYL]BENZOYL}AMINO)BENZOIC ACID | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3, 2-({[4-bromo-3-(diethylsulfamoyl)phenyl]carbonyl}amino)benzoic acid | | 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: | 2018-01-24 | | 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
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3IL6 | | STRUCTURE OF E. FAECALIS FABH IN COMPLEX WITH 2-({4-[(3R,5S)-3,5-DIMETHYLPIPERIDIN-1-YL]-3-PHENOXYBENZOYL}AMINO)BENZOIC ACID | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3, 2-[({4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-phenoxyphenyl}carbonyl)amino]benzoic acid, 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: | 2011-07-13 | | 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
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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: | 2011-07-13 | | 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
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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: | 2018-01-24 | | 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
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4HZR | | CRYSTAL STRUCTURE OF ACK1 KINASE DOMAIN | | Descriptor: | Activated CDC42 kinase 1, SULFATE ION, 1,2-ETHANEDIOL, ... | | Authors: | Gajiwala, K.S. | | Deposit date: | 2012-11-15 | | Release date: | 2013-02-06 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Ack1: activation and regulation by allostery.
Plos One, 8, 2013
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4HZS | |
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: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition.
Structure, 21, 2013
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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: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (3.34 Å) | | Cite: | Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition.
Structure, 21, 2013
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4I21 | | CRYSTAL STRUCTURE OF L858R + T790M EGFR KINASE DOMAIN IN COMPLEX WITH MIG6 PEPTIDE | | Descriptor: | Epidermal growth factor receptor, ERBB receptor feedback inhibitor 1 | | 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: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (3.37 Å) | | Cite: | Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition.
Structure, 21, 2013
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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: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition.
Structure, 21, 2013
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4I23 | | CRYSTAL STRUCTURE OF THE WILD-TYPE EGFR KINASE DOMAIN IN COMPLEX WITH DACOMITINIB (SOAKED) | | Descriptor: | Epidermal growth factor receptor, (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide | | 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 (2.8 Å) | | Cite: | Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition.
Structure, 21, 2013
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4I24 | | STRUCTURE OF T790M EGFR KINASE DOMAIN CO-CRYSTALLIZED WITH DACOMITINIB | | Descriptor: | Epidermal growth factor receptor, (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide | | 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
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5U6B | | STRUCTURE OF THE AXL KINASE DOMAIN IN COMPLEX WITH A MACROCYCLIC INHIBITOR | | Descriptor: | Tyrosine-protein kinase receptor UFO, (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 | | Authors: | Gajiwala, K.S., Grodsky, N. | | Deposit date: | 2016-12-07 | | Release date: | 2017-07-26 | | Last modified: | 2017-10-04 | | Method: | X-RAY DIFFRACTION (2.84 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
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5U6C | | CRYSTAL STRUCTURE OF THE MER KINASE DOMAIN IN COMPLEX WITH A MACROCYCLIC INHIBITOR | | Descriptor: | Tyrosine-protein kinase Mer, (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 | | Authors: | Gajiwala, K.S., Ferre, R.A. | | Deposit date: | 2016-12-07 | | Release date: | 2017-07-26 | | Last modified: | 2017-10-04 | | 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
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3HEK | |
3K97 | |
3K98 | | HSP90 N-TERMINAL DOMAIN IN COMPLEX WITH (1R)-2-(5-CHLORO-2,4-DIHYDROXYBENZOYL)-N-ETHYLISOINDOLINE-1-CARBOXAMIDE | | Descriptor: | Heat shock protein HSP 90-alpha, (1R)-2-[(5-chloro-2,4-dihydroxyphenyl)carbonyl]-N-ethyl-2,3-dihydro-1H-isoindole-1-carboxamide, PHOSPHATE ION | | Authors: | Gajiwala, K.S., Davies II, J.F. | | Deposit date: | 2009-10-15 | | Release date: | 2010-02-09 | | Last modified: | 2017-11-01 | | 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
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