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1NXK
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CRYSTAL STRUCTURE OF STAUROSPORINE BOUND TO MAP KAP KINASE 2
Descriptor:MAP kinase-activated protein kinase 2, STAUROSPORINE, SULFATE ION
Authors:Underwood, K.W., Parris, K.D., Federico, E., Mosyak, L., Czerwinski, R.M., Shane, T., Taylor, M., Svenson, K., Liu, Y., Hsiao, C.L., Wolfrom, S., Malakian, K., Telliez, J.B., Lin, L.L., Kriz, R.W., Seehra, J., Somers, W.S., Stahl, M.L.
Deposit date:2003-02-10
Release date:2003-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Catalytically active MAP KAP kinase 2 structures in complex with staurosporine and ADP reveal differences with the autoinhibited enzyme
Structure, 11, 2003
1NY3
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CRYSTAL STRUCTURE OF ADP BOUND TO MAP KAP KINASE 2
Descriptor:MAP kinase-activated protein kinase 2, ADENOSINE-5'-DIPHOSPHATE
Authors:Underwood, K.W., Parris, K.D., Federico, E., Mosyak, L., Shane, T., Taylor, M., Svenson, K., Liu, Y., Hsiao, C.L., Wolfrom, S., Maguire, M., Malakian, K., Telliez, J.B., Lin, L.L., Kriz, R.W., Seehra, J., Somers, W.S., Stahl, M.L.
Deposit date:2003-02-11
Release date:2003-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Catalytically active MAP KAP kinase 2 structures in complex with staurosporine and ADP reveal differences with the autoinhibited enzyme
Structure, 11, 2003
3W9D
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STRUCTURE OF HUMAN MONOCLONAL ANTIBODY E317 FAB
Descriptor:Antibody Fab heavy chain, Antibody Fab light chain
Authors:Lee, C.C., Lin, L.L., Wang, A.H.J.
Deposit date:2013-04-03
Release date:2013-10-02
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structural basis for the antibody neutralization of herpes simplex virus
Acta Crystallogr.,Sect.D, 69, 2013
3W9E
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STRUCTURE OF HUMAN MONOCLONAL ANTIBODY E317 FAB COMPLEX WITH HSV-2 GD
Descriptor:Envelope glycoprotein D, Antibody Fab heavy chain, Antibody Fab light chain, ...
Authors:Lee, C.C., Lin, L.L., Wang, A.H.J.
Deposit date:2013-04-03
Release date:2013-10-02
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for the antibody neutralization of herpes simplex virus
Acta Crystallogr.,Sect.D, 69, 2013
3WHM
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STRUCTURE OF HEMOGLOBIN COMPLEX WITH 18-CROWN-6
Descriptor:Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Lee, C.C., Lin, L.L., Wang, A.H.J.
Deposit date:2013-08-27
Release date:2014-10-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crowning Proteins: Modulating the Protein Surface Properties using Crown Ethers.
Angew.Chem.Int.Ed.Engl., 2014
6A4K
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HUMAN ANTIBODY 32D6 FAB IN COMPLEX WITH H1N1 INFLUENZA A VIRUS HA1
Descriptor:Hemagglutinin, immunoglobulin Fab heavy chain, immunoglobulin Fab light chain, ...
Authors:Lee, C.C., Ko, T.P., Lin, L.L., Wang, A.H.J.
Deposit date:2018-06-20
Release date:2019-03-27
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:An Effective Neutralizing Antibody Against Influenza Virus H1N1 from Human B Cells.
Sci Rep, 9, 2019
4OTT
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CRYSTAL STRUCTURE OF THE GAMMA-GLUTAMYLTRANSPEPTIDASE FROM BACILLUS LICHENIFORMIS.
Descriptor:Gamma glutamyl transpeptidase, Gamma-glutamyltranspeptidase, MAGNESIUM ION
Authors:Merlino, A.
Deposit date:2014-02-14
Release date:2014-07-23
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Low resolution X-ray structure of gamma-glutamyltranspeptidase from Bacillus licheniformis: Opened active site cleft and a cluster of acid residues potentially involved in the recognition of a metal ion.
Biochim.Biophys.Acta, 1844, 2014
4OTU
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CRYSTAL STRUCTURE OF THE GAMMA-GLUTAMYLTRANSPEPTIDASE FROM BACILLUS LICHENIFORMIS IN COMPLEX WITH L-GLUTAMATE
Descriptor:Gamma glutamyl transpeptidase, Gamma-glutamyltranspeptidase, MAGNESIUM ION, ...
Authors:Merlino, A.
Deposit date:2014-02-14
Release date:2014-07-23
Method:X-RAY DIFFRACTION (3.022 Å)
Cite:Low resolution X-ray structure of gamma-glutamyltranspeptidase from Bacillus licheniformis: Opened active site cleft and a cluster of acid residues potentially involved in the recognition of a metal ion.
Biochim.Biophys.Acta, 1844, 2014
5V8O
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DISCOVERY OF A HIGH AFFINITY INHIBITOR OF CGAS
Descriptor:Cyclic GMP-AMP synthase, ZINC ION, 5-phenyltetrazolo[1,5-a]pyrimidin-7-ol
Authors:Hall, J.
Deposit date:2017-03-22
Release date:2017-09-27
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Discovery of PF-06928215 as a high affinity inhibitor of cGAS enabled by a novel fluorescence polarization assay.
PLoS ONE, 12, 2017
6NAO
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DISCOVERY OF A HIGH AFFINITY INHIBITOR OF CGAS
Descriptor:CYCLIC GMP-AMP SYNTHASE, ZINC ION, (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
Authors:Hall, J.
Deposit date:2018-12-06
Release date:2018-12-19
Method:X-RAY DIFFRACTION (3.23 Å)
Cite:Discovery of PF-06928215 as a high affinity inhibitor of cGAS enabled by a novel fluorescence polarization assay.
PLoS ONE, 12, 2017
1F2H
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SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF THE TNFR1 ASSOCIATED PROTEIN, TRADD.
Descriptor:TUMOR NECROSIS FACTOR RECEPTOR TYPE 1 ASSOCIATED DEATH DOMAIN PROTEIN
Authors:Tsao, D., McDonaugh, T., Malakian, K., Xu, G.-Y., Telliez, J.-B., Hsu, H., Lin, L.-L.
Deposit date:2000-05-24
Release date:2001-05-30
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of N-TRADD and characterization of the interaction of N-TRADD and C-TRAF2, a key step in the TNFR1 signaling pathway.
Mol.Cell, 5, 2000
1ICH
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SOLUTION STRUCTURE OF THE TUMOR NECROSIS FACTOR RECEPTOR-1 DEATH DOMAIN
Descriptor:TUMOR NECROSIS FACTOR RECEPTOR-1
Authors:Sukits, S.F., Lin, L.-L., Malakian, K., Powers, R., Xu, G.-Y.
Deposit date:2001-04-01
Release date:2002-04-01
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of the tumor necrosis factor receptor-1 death domain.
J.Mol.Biol., 310, 2001
3WH0
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STRUCTURE OF PIN1 COMPLEX WITH 18-CROWN-6
Descriptor:Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION, 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, ...
Authors:Lee, C.C., Liu, C.I., Jeng, W.Y., Wang, A.H.J.
Deposit date:2013-08-20
Release date:2014-10-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crowning Proteins: Modulating the Protein Surface Properties using Crown Ethers.
Angew.Chem.Int.Ed.Engl., 2014
3WUR
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STRUCTURE OF DMP19 COMPLEX WITH 18-CROWN-6
Descriptor:Uncharacterized protein, 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 1,2-ETHANEDIOL, ...
Authors:Lee, C.C., Wang, H.C., Wang, A.H.J.
Deposit date:2014-05-02
Release date:2014-10-15
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crowning Proteins: Modulating the Protein Surface Properties using Crown Ethers
Angew.Chem.Int.Ed.Engl., 2014
4KIK
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HUMAN IKB KINASE BETA
Descriptor:Inhibitor of nuclear factor kappa-B kinase subunit beta, K-252A
Authors:Liu, S., Mosyak, L.
Deposit date:2013-05-02
Release date:2013-06-26
Last modified:2013-08-28
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Crystal Structure of a Human I kappa B Kinase beta Asymmetric Dimer.
J.Biol.Chem., 288, 2013
4Y23
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CRYSTAL STRUCTURE OF T399A PRECURSOR MUTANT PROTEIN OF GAMMA-GLUTAMYL TRANSPEPTIDASE FROM BACILLUS LICHENIFORMIS
Descriptor:Gamma glutamyl transpeptidase,Gamma-glutamyltranspeptidase, SODIUM ION
Authors:Pica, A., Merlino, A.
Deposit date:2015-02-09
Release date:2015-11-18
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:The maturation mechanism of gamma-glutamyl transpeptidases: Insights from the crystal structure of a precursor mimic of the enzyme from Bacillus licheniformis and from site-directed mutagenesis studies.
Biochim.Biophys.Acta, 1864, 2015
5UIQ
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CRYSTAL STRUCTURE OF IRAK4 IN COMPLEX WITH COMPOUND 9
Descriptor:Interleukin-1 receptor-associated kinase 4, 2-[(propan-2-yl)oxy]benzamide
Authors:Han, S., Chang, J.S.
Deposit date:2017-01-14
Release date:2017-05-24
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
5UIR
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CRYSTAL STRUCTURE OF IRAK4 IN COMPLEX WITH COMPOUND 11
Descriptor:Interleukin-1 receptor-associated kinase 4, 5-(4-cyanophenyl)-3-[(propan-2-yl)oxy]naphthalene-2-carboxamide
Authors:Han, S., Chang, J.S.
Deposit date:2017-01-14
Release date:2017-05-24
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
5UIS
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CRYSTAL STRUCTURE OF IRAK4 IN COMPLEX WITH COMPOUND 12
Descriptor:Interleukin-1 receptor-associated kinase 4, 4-{[(3R)-piperidin-3-yl]oxy}-6-[(propan-2-yl)oxy]quinoline-7-carboxamide
Authors:Han, S., Chang, J.S.
Deposit date:2017-01-14
Release date:2017-05-24
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
5UIT
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CRYSTAL STRUCTURE OF IRAK4 IN COMPLEX WITH COMPOUND 14
Descriptor:Interleukin-1 receptor-associated kinase 4, 1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}-7-[(propan-2-yl)oxy]isoquinoline-6-carboxamide
Authors:Han, S., Chang, J.S.
Deposit date:2017-01-14
Release date:2017-05-24
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
5UIU
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CRYSTAL STRUCTURE OF IRAK4 IN COMPLEX WITH COMPOUND 30
Descriptor:Interleukin-1 receptor-associated kinase 4, 1-{[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide
Authors:Han, S., Chang, J.S.
Deposit date:2017-01-14
Release date:2017-05-24
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017