6O8U
 
 | | Crystal structure of IRAK4 in complex with compound 23 | | Descriptor: | GLYCEROL, Interleukin-1 receptor-associated kinase 4, N-[2,2-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, ... | | Authors: | Kiefer, J.R, Yu, C, Drobnick, J, Bryan, M.C, Lupardus, P.J. | | Deposit date: | 2019-03-12 | | Release date: | 2019-05-22 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors.
J.Med.Chem., 62, 2019
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6O95
 | | Structure of the IRAK4 kinase domain with compound 41 | | Descriptor: | Interleukin-1 receptor-associated kinase 4, N-[(2R)-2-(hydroxymethyl)-2-methyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, SULFATE ION | | Authors: | Yu, C, Drobnick, J, Bryan, M.C, Kiefer, J, Lupardus, P.J. | | Deposit date: | 2019-03-13 | | Release date: | 2019-05-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors.
J.Med.Chem., 62, 2019
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6O94
 | | Structure of the IRAK4 kinase domain with compound 17 | | Descriptor: | CALCIUM ION, Interleukin-1 receptor-associated kinase 4, N-{5-[4-(hydroxymethyl)piperidin-1-yl]-1-methyl-2-(morpholin-4-yl)-1H-benzimidazol-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide | | Authors: | Yu, C, Drobnick, J, Bryan, M.C, Kiefer, J, Lupardus, P.J. | | Deposit date: | 2019-03-13 | | Release date: | 2019-05-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors.
J.Med.Chem., 62, 2019
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4LXZ
 | | Structure of Human HDAC2 in complex with SAHA (vorinostat) | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, Histone deacetylase 2, ... | | Authors: | Fong, R, Lupardus, P.J. | | Deposit date: | 2013-07-30 | | Release date: | 2013-08-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Histone Deacetylase (HDAC) Inhibitor Kinetic Rate Constants Correlate with Cellular Histone Acetylation but Not Transcription and Cell Viability.
J.Biol.Chem., 288, 2013
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4PO6
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4K6Z
 | | The Jak1 kinase domain in complex with compound 37 | | Descriptor: | (1R,2S)-2-{[8-oxo-2-(1H-pyrazol-4-yl)-5,8-dihydropyrido[3,4-d]pyrimidin-4-yl]amino}cyclopentanecarbonitrile, Tyrosine-protein kinase JAK1 | | Authors: | Fong, R, Lupardus, P.J. | | Deposit date: | 2013-04-16 | | Release date: | 2013-10-02 | | Last modified: | 2013-10-23 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Design and evaluation of novel 8-oxo-pyridopyrimidine Jak1/2 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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4LY1
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6DWI
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6DW2
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6E2Q
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6DWC
 | | Structure of the apo 4497 antibody Fab fragment | | Descriptor: | 4497 Fab Heavy Chain, 4497 Fab Light Chain, ACETATE ION, ... | | Authors: | Fong, R, Lupardus, P.J. | | Deposit date: | 2018-06-26 | | Release date: | 2018-08-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Structural investigation of human S. aureus-targeting antibodies that bind wall teichoic acid.
MAbs, 10, 2018
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6DWA
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6E2P
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4I5C
 | | The Jak1 kinase domain in complex with inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 3-oxo-3-[(3R)-3-(pyrrolo[2,3-b][1,2,3]triazolo[4,5-d]pyridin-1(6H)-yl)piperidin-1-yl]propanenitrile, Tyrosine-protein kinase JAK1 | | Authors: | Fong, R, Lupardus, P.J. | | Deposit date: | 2012-11-28 | | Release date: | 2013-05-22 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Novel triazolo-pyrrolopyridines as inhibitors of Janus kinase 1.
Bioorg.Med.Chem.Lett., 23, 2013
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6XM2
 | | The structure of the 4A11.v7 antibody in complex with human TGFb2 | | Descriptor: | 4A11.v7 heavy chain Fab (VH-CH1) IgG1 humanized, 4A11.v7 kappa light chain Fab (VL-CL) humanized, Transforming growth factor beta-2 | | Authors: | Lupardus, P.J, Yin, J.P. | | Deposit date: | 2020-06-29 | | Release date: | 2021-07-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | TGF beta 2 and TGF beta 3 isoforms drive fibrotic disease pathogenesis.
Sci Transl Med, 13, 2021
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5D6C
 | | Structure of 4497 Fab bound to synthetic wall teichoic acid fragment | | Descriptor: | 4-O-[2-acetamido-2-deoxy-beta-D-glucopyranosyl]-5-O-phosphono-D-ribitol, 4497 antibody IgG1 (VH and CH1), 4497 antibody IgK (VL and CL), ... | | Authors: | Lupardus, P.J, Fong, R. | | Deposit date: | 2015-08-12 | | Release date: | 2015-11-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Novel antibody-antibiotic conjugate eliminates intracellular S. aureus.
Nature, 527, 2015
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6N7B
 | | Structure of the human JAK1 kinase domain with compound 38 | | Descriptor: | GLYCEROL, N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine-7-carboxamide, Tyrosine-protein kinase JAK1 | | Authors: | Lupardus, P.J, Brown, D. | | Deposit date: | 2018-11-27 | | Release date: | 2019-04-24 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
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6N79
 | | Structure of the human JAK1 kinase domain with compound 20 | | Descriptor: | GLYCEROL, N-{5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1 | | Authors: | Lupardus, P.J, Brown, D. | | Deposit date: | 2018-11-27 | | Release date: | 2019-04-24 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
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6N7C
 | | Structure of the human JAK1 kinase domain with compound 56 | | Descriptor: | GLYCEROL, N-[5-(3-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1 | | Authors: | Lupardus, P.J, Brown, D. | | Deposit date: | 2018-11-27 | | Release date: | 2019-04-24 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
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6N78
 | | Structure of the human JAK1 kinase domain with compound 21 | | Descriptor: | GLYCEROL, N-{3-[5-chloro-2-(difluoromethoxy)phenyl]-1-methyl-1H-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1 | | Authors: | Lupardus, P.J, Brown, D. | | Deposit date: | 2018-11-27 | | Release date: | 2019-04-24 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
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6N7A
 | | Structure of the human JAK1 kinase domain with compound 39 | | Descriptor: | GLYCEROL, N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-2-methyl-2H-pyrazolo[4,3-c]pyridine-7-carboxamide, Tyrosine-protein kinase JAK1 | | Authors: | Lupardus, P.J, Brown, D. | | Deposit date: | 2018-11-27 | | Release date: | 2019-04-24 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
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6N77
 | | Structure of the human JAK1 kinase domain with compound 15 | | Descriptor: | GLYCEROL, N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1 | | Authors: | Lupardus, P.J, Brown, D. | | Deposit date: | 2018-11-27 | | Release date: | 2019-04-24 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
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6N7D
 | | Structure of the human JAK1 kinase domain with compound 54 | | Descriptor: | GLYCEROL, N-[5-(6-methoxy-1H-indazol-5-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1 | | Authors: | Lupardus, P.J, Brown, D. | | Deposit date: | 2018-11-27 | | Release date: | 2019-04-24 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
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4OLI
 | | The pseudokinase/kinase protein from JAK-family member TYK2 | | Descriptor: | 2-chloro-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide, Non-receptor tyrosine-protein kinase TYK2 | | Authors: | Eigenbrot, C, Ultsch, M, Wallweber, H. | | Deposit date: | 2014-01-23 | | Release date: | 2014-05-28 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of the pseudokinase-kinase domains from protein kinase TYK2 reveals a mechanism for Janus kinase (JAK) autoinhibition.
Proc.Natl.Acad.Sci.USA, 111, 2014
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6TRO
 | | Crystal structure of the T-cell receptor GVY01 bound to HLA A2*01-GVYDGREHTV | | Descriptor: | Beta-2-microglobulin, MAGE-A4 peptide (amino acids 230-239), MHC class I antigen, ... | | Authors: | Coles, C.H, McMurran, C, Lloyd, A, Hibbert, L, Lupardus, P.J, Cole, D.K, Harper, S. | | Deposit date: | 2019-12-19 | | Release date: | 2020-06-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | T cell receptor interactions with human leukocyte antigen govern indirect peptide selectivity for the cancer testis antigen MAGE-A4.
J.Biol.Chem., 295, 2020
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