8QFZ
| TSLP-Bicycle complex | Descriptor: | 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, CYS-HIS-TRP-LEU-GLU-ASN-CYS-TRP-ARG-GLY-PHE-CYS, Thymic stromal lymphopoietin | Authors: | Petersen, J. | Deposit date: | 2023-09-05 | Release date: | 2024-02-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovery and Characterization of a Bicyclic Peptide (Bicycle) Binder to Thymic Stromal Lymphopoietin. J.Med.Chem., 67, 2024
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6XP6
| 3C11-DQ2-glia-a2 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3.C11 IgH Fab, ... | Authors: | Petersen, J, Rossjohn, J. | Deposit date: | 2020-07-08 | Release date: | 2021-07-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A high-affinity human TCR-like antibody detects celiac disease gluten peptide-MHC complexes and inhibits T cell activation. Sci Immunol, 6, 2021
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6U3M
| DQ2-P.fluor-alpha1a | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha1a peptide, ... | Authors: | Petersen, J, Rossjohn, J. | Deposit date: | 2019-08-22 | Release date: | 2019-12-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | T cell receptor cross-reactivity between gliadin and bacterial peptides in celiac disease. Nat.Struct.Mol.Biol., 27, 2020
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7OIL
| mPI3Kd in complex with compound 58 | Descriptor: | 2-[(1S)-1-cyclopropylethyl]-5-[4-methyl-2-[[6-(2-oxidanylidenepyrrolidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]-7-methylsulfonyl-3H-isoindol-1-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, SODIUM ION | Authors: | Petersen, J. | Deposit date: | 2021-05-11 | Release date: | 2021-07-14 | Last modified: | 2021-09-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma. J.Med.Chem., 64, 2021
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7OI4
| mPI3Kd in complex with compound 12 | Descriptor: | N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[[4-[(dimethylamino)methyl]phenyl]sulfamoyl]-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Petersen, J. | Deposit date: | 2021-05-11 | Release date: | 2021-07-14 | Last modified: | 2021-09-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma. J.Med.Chem., 64, 2021
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7OIJ
| mPI3Kd in complex with an inhibitor | Descriptor: | 6-[[5-[2-[(1S)-1-cyclopropylethyl]-7-(methylsulfamoyl)-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]amino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, SODIUM ION, ... | Authors: | Petersen, J. | Deposit date: | 2021-05-11 | Release date: | 2021-07-14 | Last modified: | 2021-09-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma. J.Med.Chem., 64, 2021
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7OIS
| mPI3Kd in complex with compound 7 | Descriptor: | N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(3-methylsulfonylphenyl)sulfamoyl]-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, SODIUM ION | Authors: | Petersen, J. | Deposit date: | 2021-05-12 | Release date: | 2021-07-14 | Last modified: | 2021-09-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma. J.Med.Chem., 64, 2021
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6MFF
| HLA-DQ2-glia-omega1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DQ alpha 1 chain, ... | Authors: | Petersen, J, Ciacchi, L, Rossjohn, J. | Deposit date: | 2018-09-10 | Release date: | 2018-11-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discriminative T-cell receptor recognition of highly homologous HLA-DQ2-bound gluten epitopes. J. Biol. Chem., 294, 2019
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6MFG
| HLA-DQ2-glia-alpha1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DQ alpha 1 chain, ... | Authors: | Petersen, J, Ciacchi, L, Rossjohn, J. | Deposit date: | 2018-09-10 | Release date: | 2018-11-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discriminative T-cell receptor recognition of highly homologous HLA-DQ2-bound gluten epitopes. J. Biol. Chem., 294, 2019
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4Z7U
| S13 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MHC class II HLA-DQ-alpha chain, MHC class II HLA-DQ-beta-1, ... | Authors: | Petersen, J, Rossjohn, J, Reid, H.H, Koning, F. | Deposit date: | 2015-04-08 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Determinants of Gliadin-Specific T Cell Selection in Celiac Disease. J Immunol., 194, 2015
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4Z7W
| T316 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DQ8-glia-alpha1, MHC class II HLA-DQ-alpha chain, ... | Authors: | Petersen, J, Rossjohn, J, Reid, H.H, Koning, F. | Deposit date: | 2015-04-08 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Determinants of Gliadin-Specific T Cell Selection in Celiac Disease. J Immunol., 194, 2015
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4Z7V
| L3-12 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MHC class II HLA-DQ-alpha chain, MHC class II HLA-DQ-beta-1, ... | Authors: | Petersen, J, Rossjohn, J, Reid, H.H, Koning, F. | Deposit date: | 2015-04-08 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Determinants of Gliadin-Specific T Cell Selection in Celiac Disease. J Immunol., 194, 2015
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3VCL
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7QB1
| PPARg in complex with inhibitor | Descriptor: | 3-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-6-phenoxy-phthalazine-1-carboxylic acid, Peroxisome proliferator-activated receptor gamma, SULFATE ION | Authors: | Petersen, J. | Deposit date: | 2021-11-17 | Release date: | 2022-05-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery by Virtual Screening of an Inhibitor of CDK5-Mediated PPAR gamma Phosphorylation. Acs Med.Chem.Lett., 13, 2022
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5KSB
| T15-DQ8.5-glia-gamma1 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DQ8.5-glia-gamma1 peptide, ... | Authors: | Petersen, J, Rossjohn, J, Reid, H.H. | Deposit date: | 2016-07-08 | Release date: | 2016-09-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Diverse T Cell Receptor Gene Usage in HLA-DQ8-Associated Celiac Disease Converges into a Consensus Binding Solution. Structure, 24, 2016
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5KS9
| Bel502-DQ8-glia-alpha1 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Bel502 TCR alpha TRAV20*01, Bel502 TCR beta TRBV9*01, ... | Authors: | Petersen, J, Rossjohn, J, Reid, H.H. | Deposit date: | 2016-07-08 | Release date: | 2016-09-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Diverse T Cell Receptor Gene Usage in HLA-DQ8-Associated Celiac Disease Converges into a Consensus Binding Solution. Structure, 24, 2016
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5KSA
| Bel602-DQ8.5-glia-gamma1 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Bel602 alpha TRAV20*01, Bel602 beta TRBV9*01, ... | Authors: | Petersen, J, Rossjohn, J, Reid, H.H. | Deposit date: | 2016-07-08 | Release date: | 2016-09-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Diverse T Cell Receptor Gene Usage in HLA-DQ8-Associated Celiac Disease Converges into a Consensus Binding Solution. Structure, 24, 2016
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1H3J
| STRUCTURE OF RECOMBINANT COPRINUS CINEREUS PEROXIDASE DETERMINED TO 2.0 A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Petersen, J.F.W, Houborg, K, Harris, P, Larsen, S. | Deposit date: | 2002-09-05 | Release date: | 2003-06-12 | Last modified: | 2023-02-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Impact of the Physical and Chemical Environment on the Molecular Structure of Coprinus Cinereus Peroxidase Acta Crystallogr.,Sect.D, 59, 2003
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1UIS
| The 2.0 crystal structure of eqFP611, a far-red fluorescent protein from the sea anemone Entacmaea quadricolor | Descriptor: | ACETIC ACID, CALCIUM ION, red fluorescent protein FP611 | Authors: | Petersen, J, Wilmann, P.G, Beddoe, T, Oakley, A.J, Devenish, R.J, Prescott, M, Rossjohn, J. | Deposit date: | 2003-07-21 | Release date: | 2003-10-21 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The 2.0A crystal structure of eqFP611, a far-red fluorescent protein from the sea anemone Entacmaea quadricolor J.Biol.Chem., 278, 2003
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5NCZ
| mPI3Kd IN COMPLEX WITH inh1 | Descriptor: | 1,2-ETHANEDIOL, 4-azanyl-6-[[(1~{S})-1-[6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Petersen, J. | Deposit date: | 2017-03-06 | Release date: | 2017-06-21 | Last modified: | 2017-07-05 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Design and Synthesis of Soluble and Cell-Permeable PI3K delta Inhibitors for Long-Acting Inhaled Administration. J. Med. Chem., 60, 2017
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5NCY
| mPI3Kd IN COMPLEX WITH inh1 | Descriptor: | 1,2-ETHANEDIOL, 4-azanyl-6-[[(1~{S})-1-(3-methyl-5-oxidanylidene-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ... | Authors: | Petersen, J. | Deposit date: | 2017-03-06 | Release date: | 2017-06-21 | Last modified: | 2017-07-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design and Synthesis of Soluble and Cell-Permeable PI3K delta Inhibitors for Long-Acting Inhaled Administration. J. Med. Chem., 60, 2017
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2HRV
| 2A CYSTEINE PROTEINASE FROM HUMAN RHINOVIRUS 2 | Descriptor: | 2A CYSTEINE PROTEINASE, ZINC ION | Authors: | Petersen, J.F.W, Cherney, M.M, Liebig, H.-D, Skern, T, Kuechler, E, James, M.N.G. | Deposit date: | 1999-04-29 | Release date: | 2000-05-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The structure of the 2A proteinase from a common cold virus: a proteinase responsible for the shut-off of host-cell protein synthesis. EMBO J., 18, 1999
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5V4M
| Structure of HLA-DR15 with bound alpha3(135-145) peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HLA-DRA1, ... | Authors: | Petersen, J, Rossjohn, J. | Deposit date: | 2017-03-10 | Release date: | 2017-05-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Dominant protection from HLA-linked autoimmunity by antigen-specific regulatory T cells. Nature, 545, 2017
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5V4N
| Structure of HLA-DR1 with bound alpha3(135-145) peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA-DRA1, alpha3(135-145)-HLA-DRB1*01:01 | Authors: | Petersen, J, Rossjohn, J. | Deposit date: | 2017-03-10 | Release date: | 2017-05-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.405 Å) | Cite: | Dominant protection from HLA-linked autoimmunity by antigen-specific regulatory T cells. Nature, 545, 2017
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6U3O
| JR51 DQ2-p.aeru-alpha2a complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MHC class II HLA-DQ-alpha chain, MHC class II HLA-DQ-beta-1, ... | Authors: | Petersen, J, Rossjohn, J. | Deposit date: | 2019-08-22 | Release date: | 2019-12-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.743 Å) | Cite: | T cell receptor cross-reactivity between gliadin and bacterial peptides in celiac disease. Nat.Struct.Mol.Biol., 27, 2020
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