6JP7
| 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
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1NY3
| 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
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1NXK
| 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
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3W9D
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3W9E
| 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
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3WHM
| 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
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6A4K
| 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
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6JU0
| 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
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6JWC
| 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
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4OTT
| 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
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4OTU
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5V8O
| 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
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1F2H
| 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
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1ICH
| 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
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5UIS
| 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
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5UIQ
| 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
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5UIR
| 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
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5UIT
| 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
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5UIU
| 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
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8DPX
| 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
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6NAO
| 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
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4Y23
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3WUR
| 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
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3WH0
| 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
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4KIK
| 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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