Author results

1DII
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CRYSTAL STRUCTURE OF P-CRESOL METHYLHYDROXYLASE AT 2.5 A RESOLUTION
Descriptor:P-CRESOL METHYLHYDROXYLASE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Cunane, L.M., Chen, Z.W., Shamala, N., Mathews, F.S., Cronin, C.N., McIntire, W.S.
Deposit date:1999-11-29
Release date:1999-12-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of the flavocytochrome p-cresol methylhydroxylase and its enzyme-substrate complex: gated substrate entry and proton relays support the proposed catalytic mechanism.
J.Mol.Biol., 295, 2000
1MP8
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CRYSTAL STRUCTURE OF FOCAL ADHESION KINASE (FAK)
Descriptor:focal adhesion kinase 1, ADENOSINE-5'-DIPHOSPHATE
Authors:Nowakowski, J., Cronin, C.N., McRee, D.E., Knuth, M.W., Nelson, C.G., Pavletich, N.P., Rodgers, J., Sang, B.-C., Scheibe, D.N., Swanson, R.V., Thompson, D.A.
Deposit date:2002-09-11
Release date:2003-09-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of the cancer-related Aurora-A, FAK, and EphA2 protein kinases from nanovolume crystallography
Structure, 10, 2002
1MQ4
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CRYSTAL STRUCTURE OF AURORA-A PROTEIN KINASE
Descriptor:AURORA-RELATED KINASE 1, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Nowakowski, J., Cronin, C.N., McRee, D.E., Knuth, M.W., Nelson, C., Pavletich, N.P., Rodgers, J., Sang, B.-C., Scheibe, D.N., Swanson, R.V., Thompson, D.A.
Deposit date:2002-09-13
Release date:2003-09-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of the Cancer-Related Aurora-A, FAK and EphA2 Protein Kinases from Nanovolume Crystallography
Structure, 10, 2002
1MQB
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CRYSTAL STRUCTURE OF EPHRIN A2 (EPHA2) RECEPTOR PROTEIN KINASE
Descriptor:Ephrin type-A receptor 2, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Nowakowski, J., Cronin, C.N., McRee, D.E., Knuth, M.W., Nelson, C., Pavletich, N., Rogers, J., Sang, B.C., Scheibe, D.N., Swanson, R.V., Thompson, D.A.
Deposit date:2002-09-16
Release date:2003-09-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of the Cancer Related Aurora-A, FAK and EphA2 Protein Kinases from Nanovolume Crystallography
Structure, 10, 2003
1PKG
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STRUCTURE OF A C-KIT KINASE PRODUCT COMPLEX
Descriptor:c-kit protein, MAGNESIUM ION, ADENOSINE-5'-DIPHOSPHATE
Authors:Mol, C.D., Lim, K.B., Sridhar, V., Zou, H., Chien, E.Y.T., Sang, B.-C., Nowakowski, J., Kassel, D.B., Cronin, C.N., McRee, D.E.
Deposit date:2003-06-05
Release date:2003-08-12
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of a c-Kit Product Complex Reveals the Basis for Kinase Transactivation.
J.Biol.Chem., 278, 2003
4TWP
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THE CRYSTAL STRUCTURE OF HUMAN ABL1 T315I GATEKEEPER MUTANT KINASE DOMAIN IN COMPLEX WITH AXITINIB
Descriptor:Tyrosine-protein kinase ABL1, AXITINIB, NICKEL (II) ION, ...
Authors:Johnson, E., McTigue, M., Cronin, C.N.
Deposit date:2014-07-01
Release date:2015-02-11
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Axitinib effectively inhibits BCR-ABL1(T315I) with a distinct binding conformation.
Nature, 519, 2015
4WA9
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THE CRYSTAL STRUCTURE OF HUMAN ABL1 WILD TYPE KINASE DOMAIN IN COMPLEX WITH AXITINIB
Descriptor:Tyrosine-protein kinase ABL1, AXITINIB
Authors:Johnson, E., McTigue, M., Cronin, C.N.
Deposit date:2014-08-28
Release date:2015-02-11
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Axitinib effectively inhibits BCR-ABL1(T315I) with a distinct binding conformation.
Nature, 519, 2015
6CZ2
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STRUCTURE OF THE PTK6 KINASE DOMAIN
Descriptor:Protein-tyrosine kinase 6
Authors:Gajiwala, K.S., Johnson, E., Cronin, C.N.
Deposit date:2018-04-07
Release date:2018-06-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Small molecule inhibitors reveal PTK6 kinase is not an oncogenic driver in breast cancers.
PLoS ONE, 13, 2018
6CZ3
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STRUCTURE OF THE PTK6 KINASE DOMAIN BOUND TO A TYPE I INHIBITOR (3-FLUORO-4-{[6-METHYL-3-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZIN-8-YL]AMINO}PHENYL)(MORPHOLIN-4-YL)METHANONE
Descriptor:Protein-tyrosine kinase 6, (3-fluoro-4-{[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}phenyl)(morpholin-4-yl)methanone, ACETATE ION, ...
Authors:Gajiwala, K.S., Johnson, E., Cronin, C.N.
Deposit date:2018-04-07
Release date:2018-06-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Small molecule inhibitors reveal PTK6 kinase is not an oncogenic driver in breast cancers.
PLoS ONE, 13, 2018
6CZ4
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STRUCTURE OF THE PTK6 KINASE DOMAIN BOUND TO A TYPE II INHIBITOR 2-{[(3R,4S)-3-FLUORO-1-{[4-(TRIFLUOROMETHOXY)PHENYL]ACETYL}PIPERIDIN-4-YL]OXY}-5-(1-METHYL-1H-IMIDAZOL-4-YL)PYRIDINE-3-CARBOXAMIDE
Descriptor:Protein-tyrosine kinase 6, 2-{[(3R,4S)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-5-(1-methyl-1H-imidazol-4-yl)pyridine-3-carboxamide
Authors:Gajiwala, K.S., Johnson, E., Cronin, C.N.
Deposit date:2018-04-07
Release date:2018-06-20
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Small molecule inhibitors reveal PTK6 kinase is not an oncogenic driver in breast cancers.
PLoS ONE, 13, 2018
6D1Y
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CRYSTAL STRUCTURE OF TYROSINE-PROTEIN KINASE RECEPTOR IN COMPLEX WITH 2,4-DICHLORO-N-(3-METHYL-1-PHENYL-1H-PYRAZOL-5-YL)BENZAMIDE INHIBITOR
Descriptor:High affinity nerve growth factor receptor, 2,4-dichloro-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide
Authors:Greasley, S.E., Johnson, E., Kraus, M.L., Cronin, C.N.
Deposit date:2018-04-12
Release date:2018-05-02
Last modified:2019-05-01
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Discovery of Allosteric, Potent, Subtype Selective, and Peripherally Restricted TrkA Kinase Inhibitors.
J. Med. Chem., 62, 2019
6D1Z
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CRYSTAL STRUCTURE OF TYROSINE-PROTEIN KINASE RECEPTOR IN COMPLEX WITH 5-(4-FLUOROPHENYL)THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE INHIBITOR
Descriptor:High affinity nerve growth factor receptor, 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one, GLYCEROL, ...
Authors:Greasley, S.E., Johnson, E., Kraus, M.L., Cronin, C.N.
Deposit date:2018-04-12
Release date:2018-05-02
Last modified:2019-05-01
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Discovery of Allosteric, Potent, Subtype Selective, and Peripherally Restricted TrkA Kinase Inhibitors.
J. Med. Chem., 62, 2019
6D20
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CRYSTAL STRUCTURE OF TYROSINE-PROTEIN KINASE RECEPTOR IN COMPLEX WITH 5-(4-FLUOROPHENYL)THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE AND 5-{[2,4-DICHLORO-5-(PYRIDIN-2-YL)BENZENE-1-CARBONYL]AMINO}-N-(2-HYDROXY-2-METHYLPROPYL)-1-PHENYL-1H-PYRAZOLE-3-CARBOXAMIDE INHIBITORS
Descriptor:High affinity nerve growth factor receptor, 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one, 5-{[2,4-dichloro-5-(pyridin-2-yl)benzene-1-carbonyl]amino}-N-(2-hydroxy-2-methylpropyl)-1-phenyl-1H-pyrazole-3-carboxamide
Authors:Greasley, S.E., Johnson, E., Kraus, M.L., Cronin, C.N.
Deposit date:2018-04-12
Release date:2018-05-02
Last modified:2019-05-01
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovery of Allosteric, Potent, Subtype Selective, and Peripherally Restricted TrkA Kinase Inhibitors.
J. Med. Chem., 62, 2019
6DKB
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CRYSTAL STRUCTURE OF TRK-A IN COMPLEX WITH THE PAN-TRK KINASE INHIBITOR, COMPOUND 10B.
Descriptor:High affinity nerve growth factor receptor, 2-{[(3R,4S)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-5-(1-methyl-1H-imidazol-4-yl)pyridine-3-carboxamide
Authors:Greasley, S.E., Johnson, E., Kraus, M.L., Cronin, C.N.
Deposit date:2018-05-29
Release date:2018-07-11
Last modified:2018-08-15
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Discovery of Potent, Selective, and Peripherally Restricted Pan-Trk Kinase Inhibitors for the Treatment of Pain.
J. Med. Chem., 61, 2018
6DKG
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CRYSTAL STRUCTURE OF TRK-A IN COMPLEX WITH THE PAN-TRK KINASE INHIBITOR, COMPOUND 13B.
Descriptor:High affinity nerve growth factor receptor, 5-phenylthieno[2,3-d]pyrimidin-4(3H)-one, 2-{[(3R,4S)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-4-(2-hydroxy-2-methylpropoxy)benzamide
Authors:Greasley, S.E., Johnson, E., Kraus, M.L., Cronin, C.N.
Deposit date:2018-05-29
Release date:2018-07-11
Last modified:2018-08-15
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Discovery of Potent, Selective, and Peripherally Restricted Pan-Trk Kinase Inhibitors for the Treatment of Pain.
J. Med. Chem., 61, 2018
6DKI
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CRYSTAL STRUCTURE OF TRK-A IN COMPLEX WITH THE PAN-TRK KINASE INHIBITOR, COMPOUND 19.
Descriptor:High affinity nerve growth factor receptor, 5-phenylthieno[2,3-d]pyrimidin-4(3H)-one, 6-amino-5-{[(3S)-4,4-difluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}pyrrolidin-3-yl]oxy}-N-methylpyridine-3-carboxamide
Authors:Greasley, S.E., Johnson, E., Kraus, M.L., Cronin, C.N.
Deposit date:2018-05-29
Release date:2018-07-11
Last modified:2018-08-15
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Discovery of Potent, Selective, and Peripherally Restricted Pan-Trk Kinase Inhibitors for the Treatment of Pain.
J. Med. Chem., 61, 2018
6NFY
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CRYSTAL STRUCTURE OF NONPHOSPHORYLATED, HPK1 KINASE DOMAIN IN COMPLEX WITH SUNITINIB IN THE INACTIVE STATE.
Descriptor:Mitogen-activated protein kinase kinase kinase kinase 1, 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:Johnson, E., McTigue, M., Cronin, C.N.
Deposit date:2018-12-21
Release date:2019-05-01
Last modified:2019-06-26
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Multiple conformational states of the HPK1 kinase domain in complex with sunitinib reveal the structural changes accompanying HPK1 trans-regulation.
J.Biol.Chem., 294, 2019
6NFZ
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CRYSTAL STRUCTURE OF DIPHOSPHORYLATED HPK1 KINASE DOMAIN IN COMPLEX WITH SUNITINIB IN THE ACTIVE STATE.
Descriptor:Mitogen-activated protein kinase kinase kinase kinase 1, 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:Johnson, E., McTigue, M., Cronin, C.N.
Deposit date:2018-12-21
Release date:2019-05-01
Last modified:2019-06-26
Method:X-RAY DIFFRACTION (2.966 Å)
Cite:Multiple conformational states of the HPK1 kinase domain in complex with sunitinib reveal the structural changes accompanying HPK1 trans-regulation.
J.Biol.Chem., 294, 2019
6NG0
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CRYSTAL STRUCTURE OF HPK1 KINASE DOMAIN T165E,S171E PHOSPHOMIMETIC MUTANT IN COMPLEX WITH SUNITINIB IN THE INACTIVE STATE.
Descriptor:Mitogen-activated protein kinase kinase kinase kinase 1, 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:Johnson, E., McTigue, M., Cronin, C.N.
Deposit date:2018-12-21
Release date:2019-05-01
Last modified:2019-06-26
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Multiple conformational states of the HPK1 kinase domain in complex with sunitinib reveal the structural changes accompanying HPK1 trans-regulation.
J.Biol.Chem., 294, 2019
1DIQ
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CRYSTAL STRUCTURE OF P-CRESOL METHYLHYDROXYLASE WITH SUBSTRATE BOUND
Descriptor:P-CRESOL METHYLHYDROXYLASE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Cunane, L.M., Chen, Z.W., Shamala, N., Mathews, F.S., Cronin, C.S., McIntire, W.S.
Deposit date:1999-11-29
Release date:1999-12-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structures of the flavocytochrome p-cresol methylhydroxylase and its enzyme-substrate complex: gated substrate entry and proton relays support the proposed catalytic mechanism.
J.Mol.Biol., 295, 2000
1Q6X
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CRYSTAL STRUCTURE OF RAT CHOLINE ACETYLTRANSFERASE
Descriptor:choline O-acetyltransferase, SODIUM ION
Authors:Cai, Y., Rodgers, D.W.
Deposit date:2003-08-14
Release date:2004-06-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Choline acetyltransferase structure reveals distribution of mutations that cause motor disorders.
Embo J., 23, 2004
3FQM
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CRYSTAL STRUCTURE OF A NOVEL DIMERIC FORM OF HCV NS5A DOMAIN I PROTEIN
Descriptor:Non-structural protein 5A, ZINC ION, GLYCEROL
Authors:Love, R.A.
Deposit date:2009-01-07
Release date:2009-03-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a novel dimeric form of NS5A domain I protein from hepatitis C virus
J.Virol., 83, 2009
3FQQ
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CRYSTAL STRUCTURE OF A NOVEL DIMERIC FORM OF HCV NS5A DOMAIN I PROTEIN
Descriptor:Non-structural protein 5A, ZINC ION, GLYCEROL, ...
Authors:Love, R.A.
Deposit date:2009-01-07
Release date:2009-03-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a novel dimeric form of NS5A domain I protein from hepatitis C virus
J.Virol., 83, 2009
5KHW
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CRYSTAL STRUCTURE OF JAK1 IN COMPLEX WITH ADP
Descriptor:Tyrosine-protein kinase JAK1, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Han, S., Caspers, N.L.
Deposit date:2016-06-16
Release date:2016-11-09
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Development of a high-throughput crystal structure-determination platform for JAK1 using a novel metal-chelator soaking system.
Acta Crystallogr F Struct Biol Commun, 72, 2016
5KHX
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CRYSTAL STRUCTURE OF JAK1 IN COMPLEX WITH PF-4950736
Descriptor:Tyrosine-protein kinase JAK1, ~{N}-[3-[methyl(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanesulfonamide
Authors:Han, S., Caspers, N.L.
Deposit date:2016-06-16
Release date:2016-11-09
Last modified:2018-05-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Development of a high-throughput crystal structure-determination platform for JAK1 using a novel metal-chelator soaking system.
Acta Crystallogr F Struct Biol Commun, 72, 2016
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