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1DJ8
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CRYSTAL STRUCTURE OF E. COLI PERIPLASMIC PROTEIN HDEA
Descriptor:PROTEIN HNS-DEPENDENT EXPRESSION A
Authors:Gajiwala, K.S., Burley, S.K.
Deposit date:1999-12-02
Release date:1999-12-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:HDEA, a periplasmic protein that supports acid resistance in pathogenic enteric bacteria.
J.Mol.Biol., 295, 2000
1DP7
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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
1TA8
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STRUCTURAL REARRANGEMENT ACCOMPANYING NAD+ SYNTHESIS WITHIN A BACTERIAL DNA LIGASE CRYSTAL
Descriptor:DNA ligase, NAD-dependent, SULFATE ION, ...
Authors:Gajiwala, K.S., Pinko, C.
Deposit date:2004-05-19
Release date:2004-11-23
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural rearrangement accompanying NAD+ synthesis within a bacterial DNA ligase crystal.
STRUCTURE, 12, 2004
1TAE
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STRUCTURAL REARRANGEMENT ACCOMPANYING NAD+ SYNTHESIS WITHIN A BACTERIAL DNA LIGASE CRYSTAL
Descriptor:DNA ligase, NAD-dependent, SULFATE ION, ...
Authors:Gajiwala, K.S., Pinko, C.
Deposit date:2004-05-19
Release date:2004-11-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural rearrangement accompanying NAD+ synthesis within a bacterial DNA ligase crystal.
STRUCTURE, 12, 2004
3G0E
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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
3G0F
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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
3IL3
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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
3IL4
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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
3IL5
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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
3IL6
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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
3IL7
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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
3IL9
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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
4HZR
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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
4HZS
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CRYSTAL STRUCTURE OF ACK1 KINASE DOMAIN WITH C-TERMINAL SH3 DOMAIN
Descriptor:Activated CDC42 kinase 1
Authors:Gajiwala, K.S.
Deposit date:2012-11-15
Release date:2013-02-06
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3.23 Å)
Cite:Ack1: activation and regulation by allostery.
Plos One, 8, 2013
4I1Z
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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
4I20
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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
4I21
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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
4I22
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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
4I23
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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
4I24
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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
5U6B
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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
5U6C
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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
3HEK
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HSP90 N-TERMINAL DOMAIN IN COMPLEX WITH 1-{4-[(2R)-1-(5-CHLORO-2,4-DIHYDROXYBENZOYL)PYRROLIDIN-2-YL]BENZYL}-3,3-DIFLUOROPYRROLIDINIUM
Descriptor:Heat shock protein HSP 90-alpha, (1S,2R)-1-[(5-chloro-2,4-dihydroxyphenyl)carbonyl]-2-{4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl}pyrrolidinium, PHOSPHATE ION
Authors:Gajiwala, K.S.
Deposit date:2009-05-08
Release date:2009-09-29
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Solution-phase parallel synthesis of Hsp90 inhibitors
J.Comb.Chem., 11
3K97
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HSP90 N-TERMINAL DOMAIN IN COMPLEX WITH 4-CHLORO-6-{[(2R)-2-(2-METHYLPHENYL)PYRROLIDIN-1-YL]CARBONYL}BENZENE-1,3-DIOL
Descriptor:Heat shock protein HSP 90-alpha, 4-chloro-6-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol, DIMETHYL SULFOXIDE
Authors:Gajiwala, K.S.
Deposit date:2009-10-15
Release date:2010-02-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Dihydroxyphenylisoindoline amides as orally bioavailable inhibitors of the heat shock protein 90 (hsp90) molecular chaperone.
J.Med.Chem., 53, 2010
3K98
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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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