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6JP7
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BU of 6jp7 by Molmil
Human antibody 32D6 Fab in complex with PEG
Descriptor: (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, HEXAETHYLENE GLYCOL, immunoglobulin Fab heavy chain, ...
Authors:Lee, C.C, Ko, T.P, Lin, L.L, Wang, A.H.J.
Deposit date:2019-03-26
Release date:2020-02-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.909 Å)
Cite:Structural basis of polyethylene glycol recognition by antibody.
J.Biomed.Sci., 27, 2020
1NY3
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BU of 1ny3 by Molmil
Crystal structure of ADP bound to MAP KAP kinase 2
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAP kinase-activated protein kinase 2
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:2023-08-16
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
1NXK
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BU of 1nxk by Molmil
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
3W9D
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BU of 3w9d by Molmil
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:2021-04-28
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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BU of 3w9e by Molmil
Structure of Human Monoclonal Antibody E317 Fab Complex with HSV-2 gD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 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:2023-11-08
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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BU of 3whm by Molmil
Structure of Hemoglobin Complex with 18-crown-6
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Lee, C.C, Lin, L.L, Wang, A.H.J.
Deposit date:2013-08-27
Release date:2014-10-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crowning proteins: modulating the protein surface properties using crown ethers.
Angew.Chem.Int.Ed.Engl., 53, 2014
6A4K
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BU of 6a4k by Molmil
Human antibody 32D6 Fab in complex with H1N1 influenza A virus HA1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
Authors:Lee, C.C, Ko, T.P, Lin, L.L, Wang, A.H.J.
Deposit date:2018-06-20
Release date:2019-03-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:An Effective Neutralizing Antibody Against Influenza Virus H1N1 from Human B Cells.
Sci Rep, 9, 2019
6JU0
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BU of 6ju0 by Molmil
Mouse antibody 3.3 Fab in complex with PEG
Descriptor: 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Fab heavy chain, ...
Authors:Lee, C.C, Ko, T.P, Lin, L.L, Wang, A.H.J.
Deposit date:2019-04-12
Release date:2020-02-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:Structural basis of polyethylene glycol recognition by antibody.
J.Biomed.Sci., 27, 2020
6JWC
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BU of 6jwc by Molmil
Mouse antibody 2B5 Fab in complex with PEG
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, DI(HYDROXYETHYL)ETHER, DODECAETHYLENE GLYCOL, ...
Authors:Lee, C.C, Ko, T.P, Su, Y.C, Lin, L.L, Roffler, S.R, Wang, A.H.J.
Deposit date:2019-04-19
Release date:2020-02-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.297 Å)
Cite:Structural basis of polyethylene glycol recognition by antibody.
J.Biomed.Sci., 27, 2020
4OTT
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BU of 4ott by Molmil
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
Last modified:2023-09-20
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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BU of 4otu by Molmil
Crystal structure of the gamma-glutamyltranspeptidase from Bacillus licheniformis in complex with L-Glutamate
Descriptor: GLUTAMIC ACID, Gamma glutamyl transpeptidase, Gamma-glutamyltranspeptidase, ...
Authors:Merlino, A.
Deposit date:2014-02-14
Release date:2014-07-23
Last modified:2023-09-20
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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BU of 5v8o by Molmil
Discovery of a high affinity inhibitor of cGAS
Descriptor: 5-phenyltetrazolo[1,5-a]pyrimidin-7-ol, Cyclic GMP-AMP synthase, ZINC ION
Authors:Hall, J.
Deposit date:2017-03-22
Release date:2017-09-27
Last modified:2024-03-06
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
1F2H
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BU of 1f2h by Molmil
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:2022-02-16
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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BU of 1ich by Molmil
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:2021-10-27
Method:SOLUTION NMR
Cite:Solution structure of the tumor necrosis factor receptor-1 death domain.
J.Mol.Biol., 310, 2001
5UIS
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BU of 5uis by Molmil
Crystal structure of IRAK4 in complex with compound 12
Descriptor: 4-{[(3R)-piperidin-3-yl]oxy}-6-[(propan-2-yl)oxy]quinoline-7-carboxamide, Interleukin-1 receptor-associated kinase 4
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
5UIQ
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BU of 5uiq by Molmil
Crystal structure of IRAK4 in complex with compound 9
Descriptor: 2-[(propan-2-yl)oxy]benzamide, Interleukin-1 receptor-associated kinase 4
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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BU of 5uir by Molmil
Crystal structure of IRAK4 in complex with compound 11
Descriptor: 5-(4-cyanophenyl)-3-[(propan-2-yl)oxy]naphthalene-2-carboxamide, Interleukin-1 receptor-associated kinase 4
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
5UIT
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BU of 5uit by Molmil
Crystal structure of IRAK4 in complex with compound 14
Descriptor: 1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}-7-[(propan-2-yl)oxy]isoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4
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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BU of 5uiu by Molmil
Crystal structure of IRAK4 in complex with compound 30
Descriptor: 1-{[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4
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
8DPX
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BU of 8dpx by Molmil
Preligand association structure of DR5
Descriptor: Tumor necrosis factor receptor superfamily member 10B
Authors:Du, G, Zhao, L, Chou, J.J.
Deposit date:2022-07-17
Release date:2023-02-15
Method:SOLUTION NMR
Cite:Autoinhibitory structure of preligand association state implicates a new strategy to attain effective DR5 receptor activation.
Cell Res., 33, 2023
6NAO
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BU of 6nao by Molmil
Discovery of a high affinity inhibitor of cGAS
Descriptor: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid, CYCLIC GMP-AMP SYNTHASE, ZINC ION
Authors:Hall, J.
Deposit date:2018-12-06
Release date:2018-12-19
Last modified:2024-03-13
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
4Y23
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BU of 4y23 by Molmil
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:2024-01-10
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
3WUR
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BU of 3wur by Molmil
Structure of DMP19 Complex with 18-crown-6
Descriptor: 1,2-ETHANEDIOL, 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, L(+)-TARTARIC ACID, ...
Authors:Lee, C.C, Wang, H.C, Wang, A.H.J.
Deposit date:2014-05-02
Release date:2014-10-15
Last modified:2022-08-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crowning proteins: modulating the protein surface properties using crown ethers.
Angew.Chem.Int.Ed.Engl., 53, 2014
3WH0
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BU of 3wh0 by Molmil
Structure of Pin1 Complex with 18-crown-6
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ...
Authors:Lee, C.C, Liu, C.I, Jeng, W.Y, Wang, A.H.J.
Deposit date:2013-08-20
Release date:2014-10-15
Last modified:2022-08-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crowning proteins: modulating the protein surface properties using crown ethers.
Angew.Chem.Int.Ed.Engl., 53, 2014
4KIK
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BU of 4kik by Molmil
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

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