Author results

1YBW
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PROTEASE DOMAIN OF HGFA WITH NO INHIBITOR
Descriptor:Hepatocyte growth factor activator precursor, N-ACETYL-D-GLUCOSAMINE
Authors:Shia, S., Stamos, J., Kirchhofer, D., Fan, B., Wu, J., Corpuz, R.T., Santell, L., Lazarus, R.A., Eigenbrot, C.
Deposit date:2004-12-21
Release date:2005-02-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Conformational lability in serine protease active sites: structures of hepatocyte growth factor activator (HGFA) alone and with the inhibitory domain from HGFA inhibitor-1B.
J.Mol.Biol., 346, 2005
1YC0
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SHORT FORM HGFA WITH FIRST KUNITZ DOMAIN FROM HAI-1
Descriptor:Hepatocyte growth factor activator, Kunitz-type protease inhibitor 1, PHOSPHATE ION
Authors:Shia, S., Stamos, J., Kirchhofer, D., Fan, B., Wu, J., Corpuz, R.T., Santell, L., Lazarus, R.A., Eigenbrot, C.
Deposit date:2004-12-21
Release date:2005-02-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Conformational lability in serine protease active sites: structures of hepatocyte growth factor activator (HGFA) alone and with the inhibitory domain from HGFA inhibitor-1B.
J.Mol.Biol., 346, 2005
4GMY
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JAK2 KINASE (JH1 DOMAIN) IN COMPLEX WITH 2,6-DICHLORO-N-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}BENZAMIDE
Descriptor:Tyrosine-protein kinase JAK2, 2,6-dichloro-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide
Authors:Murray, J.M., Shia, S.
Deposit date:2012-08-16
Release date:2013-06-19
Last modified:2013-08-07
Method:X-RAY DIFFRACTION (2.403 Å)
Cite:Lead identification of novel and selective TYK2 inhibitors.
Eur.J.Med.Chem., 67, 2013
4GVJ
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TYK2 (JH1) IN COMPLEX WITH ADENOSINE DI-PHOSPHATE
Descriptor:Non-receptor tyrosine-protein kinase TYK2, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Liang, J., Abbema, A.V., Bao, L., Barrett, K., Beresini, M., Berezhkovskiy, L., Blair, W., Chang, C., Driscoll, J., Eigenbrot, C., Ghilardi, N., Gibbons, P., Halladay, J., Johnson, A., Kohli, P.B., Lai, Y., Liimatta, M., Mantik, P., Menghrajani, K., Murray, J., Sambrone, A., Shao, Y., Shia, S., Shin, Y., Smith, J., Sohn, S., Stanley, M., Tsui, V., Ultsch, M., Wu, L., Zhang, B., Magnuson, S.
Deposit date:2012-08-30
Release date:2013-08-14
Last modified:2016-06-08
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Lead identification of novel and selective TYK2 inhibitors.
Eur.J.Med.Chem., 67, 2013
4IVA
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JAK2 KINASE (JH1 DOMAIN) IN COMPLEX WITH THE INHIBITOR TRANS-4-[(8AS)-2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(8AH)-YL]CYCLOHEXANECARBONITRILE
Descriptor:Tyrosine-protein kinase JAK2, trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexanecarbonitrile
Authors:Eigenbrot, C., Shia, S.
Deposit date:2013-01-22
Release date:2013-05-22
Last modified:2013-07-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2.
J.Med.Chem., 56, 2013
4IVC
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JAK1 KINASE (JH1 DOMAIN) IN COMPLEX WITH THE INHIBITOR (TRANS-4-{2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(6H)-YL}CYCLOHEXYL)ACETONITRILE
Descriptor:Tyrosine-protein kinase JAK1, (trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexyl)acetonitrile
Authors:Eigenbrot, C., Shia, S.
Deposit date:2013-01-22
Release date:2013-05-22
Last modified:2013-07-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2.
J.Med.Chem., 56, 2013
4K77
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JAK1 KINASE (JH1 DOMAIN) IN COMPLEX WITH COMPOUND 6
Descriptor:Tyrosine-protein kinase JAK1, 4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-8(7H)-one
Authors:Eigenbrot, C., Shia, S.
Deposit date:2013-04-16
Release date:2013-10-02
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design and evaluation of novel 8-oxo-pyridopyrimidine Jak1/2 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
2R0K
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PROTEASE DOMAIN OF HGFA WITH INHIBITOR FAB58
Descriptor:Hepatocyte growth factor activator, antibody light chain of Fab58, antibody heavy chain of Fab58, ...
Authors:Eigenbrot, C., Shia, S.
Deposit date:2007-08-20
Release date:2007-12-25
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (3.51 Å)
Cite:Structural insight into distinct mechanisms of protease inhibition by antibodies.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2R0L
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SHORT FORM HGFA WITH INHIBITORY FAB75
Descriptor:antibody light chain, antibody heavy chain, Fab portion only, ...
Authors:Eigenbrot, C., Shia, S.
Deposit date:2007-08-20
Release date:2007-12-25
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural insight into distinct mechanisms of protease inhibition by antibodies.
Proc.Natl.Acad.Sci.Usa, 104, 2007
3P0V
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ANTI-EGFR/HER3 FAB DL11 ALONE
Descriptor:Fab DL11 light chain, Fab DL11 heavy chain, CALCIUM ION
Authors:Eigenbrot, C., Shia, S.
Deposit date:2010-09-29
Release date:2011-10-19
Last modified:2012-03-21
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:A two-in-one antibody against HER3 and EGFR has superior inhibitory activity compared with monospecific antibodies.
Cancer Cell, 20, 2011
3P0Y
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ANTI-EGFR/HER3 FAB DL11 IN COMPLEX WITH DOMAIN III OF EGFR EXTRACELLULAR REGION
Descriptor:Epidermal growth factor receptor, Fab DL11 heavy chain, Fab DL11 light chain, ...
Authors:Eigenbrot, C., Shia, S.
Deposit date:2010-09-29
Release date:2011-10-26
Last modified:2012-03-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A two-in-one antibody against HER3 and EGFR has superior inhibitory activity compared with monospecific antibodies.
Cancer Cell, 20, 2011
3P11
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ANTI-EGFR/HER3 FAB DL11 IN COMPLEX WITH DOMAINS I-III OF THE HER3 EXTRACELLULAR REGION
Descriptor:Fab DL11 heavy chain, Fab DL11 light chain, Receptor tyrosine-protein kinase erbB-3, ...
Authors:Eigenbrot, C., Shia, S.
Deposit date:2010-09-29
Release date:2011-10-26
Last modified:2012-03-21
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:A two-in-one antibody against HER3 and EGFR has superior inhibitory activity compared with monospecific antibodies.
Cancer Cell, 20, 2011
4MF0
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ITK KINASE DOMAIN IN COMPLEX WITH BENZOTHIAZOLE INHIBITOR COMPOUND 12A (1S,2S)-2-{4-[(DIMETHYLAMINO)METHYL]PHENYL}-N-[6-(PYRIDIN-3-YL)-1,3-BENZOTHIAZOL-2-YL]CYCLOPROPANECARBOXAMIDE (12A)
Descriptor:Tyrosine-protein kinase ITK/TSK, (1S,2S)-2-{4-[(dimethylamino)methyl]phenyl}-N-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
Authors:Eigenbrot, C., Shia, S.
Deposit date:2013-08-27
Release date:2013-11-13
Last modified:2013-11-20
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Structure-based design and synthesis of potent benzothiazole inhibitors of interleukin-2 inducible T cell kinase (ITK).
Bioorg.Med.Chem.Lett., 23, 2013
4MF1
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ITK KINASE DOMAIN IN COMPLEX WITH BENZOTHIAZOLE INHIBITOR 12B (1S,2S)-2-{4-[(DIMETHYLAMINO)METHYL]PHENYL}-N-[6-(1H-PYRAZOL-4-YL)-1,3-BENZOTHIAZOL-2-YL]CYCLOPROPANECARBOXAMIDE
Descriptor:Tyrosine-protein kinase ITK/TSK, (1S,2S)-2-{4-[(dimethylamino)methyl]phenyl}-N-[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
Authors:Eigenbrot, C., Shia, S.
Deposit date:2013-08-27
Release date:2013-11-13
Last modified:2013-11-20
Method:X-RAY DIFFRACTION (2.113 Å)
Cite:Structure-based design and synthesis of potent benzothiazole inhibitors of interleukin-2 inducible T cell kinase (ITK).
Bioorg.Med.Chem.Lett., 23, 2013
4PP9
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ITK KINASE DOMAIN WITH COMPOUND 1 (N-[1-(3-CYANOBENZYL)-1H-PYRAZOL-4-YL]-2H-INDAZOLE-3-CARBOXAMIDE)
Descriptor:Tyrosine-protein kinase ITK/TSK, SULFATE ION, N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-2H-indazole-3-carboxamide
Authors:Eigenbrot, C., Shia, S.
Deposit date:2014-02-26
Release date:2014-06-04
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Discovery and optimization of indazoles as potent and selective interleukin-2 inducible T cell kinase (ITK) inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4PPA
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ITK KINASE DOMAIN WITH COMPOUND 11 (N-[1-(3-CYANOBENZYL)-1H-PYRAZOL-4-YL]-6-(1H-PYRAZOL-4-YL)-1H-INDAZOLE-3-CARBOXAMIDE)
Descriptor:Tyrosine-protein kinase ITK/TSK, N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
Authors:Eigenbrot, C., Shia, S.
Deposit date:2014-02-26
Release date:2014-06-04
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Discovery and optimization of indazoles as potent and selective interleukin-2 inducible T cell kinase (ITK) inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4PPB
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ITK KINASE DOMAIN WITH COMPOUND 28 (N-{1-[(1S)-3-(DIMETHYLAMINO)-1-PHENYLPROPYL]-1H-PYRAZOL-4-YL}-6-(1H-PYRAZOL-4-YL)-1H-INDAZOLE-3-CARBOXAMIDE)
Descriptor:Tyrosine-protein kinase ITK/TSK, N-{1-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1H-pyrazol-4-yl}-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
Authors:Eigenbrot, C., Shia, S.
Deposit date:2014-02-26
Release date:2014-06-04
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Discovery and optimization of indazoles as potent and selective interleukin-2 inducible T cell kinase (ITK) inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4PPC
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ITK KINASE DOMAIN WITH COMPOUND 27 (N-{1-[(1R)-3-(DIMETHYLAMINO)-1-PHENYLPROPYL]-1H-PYRAZOL-4-YL}-6-(1H-PYRAZOL-4-YL)-1H-INDAZOLE-3-CARBOXAMIDE)
Descriptor:Tyrosine-protein kinase ITK/TSK, N-{1-[(1R)-3-(dimethylamino)-1-phenylpropyl]-1H-pyrazol-4-yl}-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
Authors:Eigenbrot, C., Shia, S.
Deposit date:2014-02-26
Release date:2014-06-04
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Discovery and optimization of indazoles as potent and selective interleukin-2 inducible T cell kinase (ITK) inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
2WUB
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CRYSTAL STRUCTURE OF HGFA IN COMPLEX WITH THE ALLOSTERIC NON- INHIBITORY ANTIBODY FAB40.DELTATRP
Descriptor:HEPATOCYTE GROWTH FACTOR ACTIVATOR LONG CHAIN, HEPATOCYTE GROWTH FACTOR ACTIVATOR SHORT CHAIN, FAB FRAGMENT FAB40.DELTATRP HEAVY CHAIN, ...
Authors:Ganesan, R., Eigenbrot, C., Shia, S.
Deposit date:2009-10-01
Release date:2009-12-15
Last modified:2012-03-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Unraveling the Allosteric Mechanism of Serine Protease Inhibition by an Antibody
Structure, 17, 2009
2WUC
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CRYSTAL STRUCTURE OF HGFA IN COMPLEX WITH THE ALLOSTERIC NON- INHIBITORY ANTIBODY FAB40.DELTATRP AND AC-KQLR-CHLOROMETHYLKETONE
Descriptor:HEPATOCYTE GROWTH FACTOR ACTIVATOR LONG CHAIN, HEPATOCYTE GROWTH FACTOR ACTIVATOR SHORT CHAIN, FAB FRAGMENT FAB40.DELTATRP HEAVY CHAIN, ...
Authors:Ganesan, R., Eigenbrot, C., Shia, S.
Deposit date:2009-10-01
Release date:2009-12-15
Last modified:2016-12-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Unraveling the Allosteric Mechanism of Serine Protease Inhibition by an Antibody
Structure, 17, 2009
3K2U
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CRYSTAL STRUCTURE OF HGFA IN COMPLEX WITH THE ALLOSTERIC INHIBITORY ANTIBODY FAB40
Descriptor:Hepatocyte growth factor activator long chain, Hepatocyte growth factor activator short chain, Antibody, ...
Authors:Ganesan, R., Eigenbrot, C., Shia, S.
Deposit date:2009-09-30
Release date:2009-12-15
Last modified:2012-03-28
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Unraveling the allosteric mechanism of serine protease inhibition by an antibody.
Structure, 17, 2009
4K7P
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GENERATION AND CHARACTERIZATION OF A UNIQUE REAGENT THAT RECOGNIZES A PANEL OF RECOMBINANT HUMAN MONOCLONAL ANTIBODY THERAPEUTICS IN THE PRESENCE OF ENDOGENOUS HUMAN IGG
Descriptor:antibody rhumAb6 Fab fragment light chain, antibody rhumAb6 Fab fragment heavy chain, antibody 10C4 Fab fragment heavy chain, ...
Authors:Eigenbrot, C., Shia, S.
Deposit date:2013-04-17
Release date:2013-08-07
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Generation and characterization of a unique reagent that recognizes a panel of recombinant human monoclonal antibody therapeutics in the presence of endogenous human IgG.
MAbs, 5, 2013
4NMX
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PCSK9(DELTACRD) IN COMPLEX WITH PHAGE-DERIVED INHIBITORY PEPTIDE 2-8
Descriptor:Proprotein convertase subtilisin/kexin type 9, peptide 2-8
Authors:Eigenbrot, C., Shia, S.
Deposit date:2013-11-15
Release date:2013-12-04
Last modified:2014-01-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Identification of a Small Peptide That Inhibits PCSK9 Protein Binding to the Low Density Lipoprotein Receptor.
J.Biol.Chem., 289, 2014
5EF9
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STRUCTURE OF INFLUENZA B LEE PB2 CAP-BINDING DOMAIN
Descriptor:Polymerase basic protein 2
Authors:Ma, X., Shia, S.
Deposit date:2015-10-23
Release date:2015-11-18
Last modified:2016-01-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular Basis of mRNA Cap Recognition by Influenza B Polymerase PB2 Subunit.
J.Biol.Chem., 291, 2016
5EFA
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STRUCTURE OF INFLUENZA B LEE PB2 CAP-BINDING DOMAIN BOUND TO M7GTP
Descriptor:Polymerase basic protein 2, 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE
Authors:Ma, X., Shia, S.
Deposit date:2015-10-23
Release date:2015-11-18
Last modified:2016-01-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular Basis of mRNA Cap Recognition by Influenza B Polymerase PB2 Subunit.
J.Biol.Chem., 291, 2016
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