7QB1
| PPARg in complex with inhibitor | 分子名称: | 3-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-6-phenoxy-phthalazine-1-carboxylic acid, Peroxisome proliferator-activated receptor gamma, SULFATE ION | 著者 | Petersen, J. | 登録日 | 2021-11-17 | 公開日 | 2022-05-04 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery by Virtual Screening of an Inhibitor of CDK5-Mediated PPAR gamma Phosphorylation. Acs Med.Chem.Lett., 13, 2022
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7OIL
| mPI3Kd in complex with compound 58 | 分子名称: | 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 | 著者 | Petersen, J. | 登録日 | 2021-05-11 | 公開日 | 2021-07-14 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | 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 | 分子名称: | 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 | 著者 | Petersen, J. | 登録日 | 2021-05-11 | 公開日 | 2021-07-14 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | 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 | 分子名称: | 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, ... | 著者 | Petersen, J. | 登録日 | 2021-05-11 | 公開日 | 2021-07-14 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | 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 | 分子名称: | 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 | 著者 | Petersen, J. | 登録日 | 2021-05-12 | 公開日 | 2021-07-14 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | 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 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DQ alpha 1 chain, ... | 著者 | Petersen, J, Ciacchi, L, Rossjohn, J. | 登録日 | 2018-09-10 | 公開日 | 2018-11-21 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | 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 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DQ alpha 1 chain, ... | 著者 | Petersen, J, Ciacchi, L, Rossjohn, J. | 登録日 | 2018-09-10 | 公開日 | 2018-11-21 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discriminative T-cell receptor recognition of highly homologous HLA-DQ2-bound gluten epitopes. J. Biol. Chem., 294, 2019
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3VCL
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5V4M
| Structure of HLA-DR15 with bound alpha3(135-145) peptide | 分子名称: | 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, ... | 著者 | Petersen, J, Rossjohn, J. | 登録日 | 2017-03-10 | 公開日 | 2017-05-03 | 最終更新日 | 2024-10-09 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Dominant protection from HLA-linked autoimmunity by antigen-specific regulatory T cells. Nature, 545, 2017
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5V4N
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5T28
| mPI3Kd IN COMPLEX WITH 5k | 分子名称: | 3-(benzotriazol-1-yl)-5-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L. | 登録日 | 2016-08-23 | 公開日 | 2017-04-12 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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5T2L
| mPI3Kd IN COMPLEX WITH 7l | 分子名称: | 1-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-3-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L. | 登録日 | 2016-08-23 | 公開日 | 2017-04-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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5T2G
| mPI3Kd IN COMPLEX WITH 7i | 分子名称: | 4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-1-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L. | 登録日 | 2016-08-23 | 公開日 | 2017-04-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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5T27
| mPI3Kd IN COMPLEX WITH 5d | 分子名称: | 3-(benzotriazol-1-yl)-5-[1-methyl-5-[(1~{S})-1-morpholin-4-ylethyl]-1,2,4-triazol-3-yl]pyrazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L. | 登録日 | 2016-08-23 | 公開日 | 2017-04-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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5T23
| PI3Kg IN COMPLEX WITH 5d | 分子名称: | 3-(benzotriazol-1-yl)-5-[1-methyl-5-[(1~{S})-1-morpholin-4-ylethyl]-1,2,4-triazol-3-yl]pyrazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 著者 | Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L. | 登録日 | 2016-08-23 | 公開日 | 2017-04-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | 主引用文献 | Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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5T2B
| mPI3Kd IN COMPLEX WITH 5e | 分子名称: | 5-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-3-(1~{H}-pyrazol-4-yl)pyrazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L. | 登録日 | 2016-08-23 | 公開日 | 2017-04-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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5T2I
| mPI3Kd IN COMPLEX WITH 7k | 分子名称: | 1-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-4-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L. | 登録日 | 2016-08-23 | 公開日 | 2017-04-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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5T2D
| mPI3Kd IN COMPLEX WITH 7j | 分子名称: | 4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]-~{N},~{N}-dimethyl-pyrazole-1-sulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L. | 登録日 | 2016-08-23 | 公開日 | 2017-04-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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5T2M
| mPI3Kd IN COMPLEX WITH 7m | 分子名称: | 4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L. | 登録日 | 2016-08-23 | 公開日 | 2017-04-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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6FTN
| mPI3Kd IN COMPLEX WITH AZ2 | 分子名称: | Phosphor inositol 3 kinase, ~{N}-[5-[2-[(1~{S})-1-cyclopropylethyl]-7-methyl-1-oxidanylidene-3~{H}-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide | 著者 | Petersen, J. | 登録日 | 2018-02-22 | 公開日 | 2018-06-20 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of Highly Isoform Selective Orally Bioavailable Phosphoinositide 3-Kinase (PI3K)-gamma Inhibitors. J. Med. Chem., 61, 2018
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6GY0
| mPI3Kd IN COMPLEX WITH AZ3 | 分子名称: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[4-methyl-5-(1-oxidanylidene-7-sulfamoyl-isoindol-5-yl)-1,3-thiazol-2-yl]ethanamide | 著者 | Petersen, J. | 登録日 | 2018-06-27 | 公開日 | 2019-02-06 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | A class of highly selective inhibitors bind to an active state of PI3K gamma. Nat.Chem.Biol., 15, 2019
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2XYA
| Non-covalent inhibtors of rhinovirus 3C protease. | 分子名称: | 2-PHENYLQUINOLIN-4-OL, PICORNAIN 3C | 著者 | Petersen, J, Edman, K, Edfeldt, F, Johansson, C. | 登録日 | 2010-11-16 | 公開日 | 2011-04-27 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Non-Covalent Inhibitors of Rhinovirus 3C Protease. Bioorg.Med.Chem.Lett., 21, 2011
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6FH5
| PI3Kg IN COMPLEX WITH Compound 7 | 分子名称: | 3-methyl-1-(oxan-4-yl)-8-pyridin-3-yl-imidazo[4,5-c]quinolin-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 著者 | Petersen, J, Barlaam, B. | 登録日 | 2018-01-12 | 公開日 | 2019-01-30 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | 主引用文献 | Discovery and Optimisation of a Novel Series of 3-Cinnoline Carboxamides as Orally Bioavailable, Highly Potent and Selective Ataxia Telangiectasia Mutated (ATM) inhibitors To Be Published
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7N6E
| TCR peptide HLA-A2 complex | 分子名称: | Beta-2-microglobulin, MHC class I antigen, Spike protein S1, ... | 著者 | Chaurasia, P, Rossjohn, J, Petersen, J. | 登録日 | 2021-06-08 | 公開日 | 2021-07-28 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Structural basis of biased T cell receptor recognition of an immunodominant HLA-A2 epitope of the SARS-CoV-2 spike protein. J.Biol.Chem., 297, 2021
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7N6D
| HLA peptide complex | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, MHC class I antigen, ... | 著者 | Chaurasia, P, Petersen, J, Rossjohn, J. | 登録日 | 2021-06-08 | 公開日 | 2021-07-28 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural basis of biased T cell receptor recognition of an immunodominant HLA-A2 epitope of the SARS-CoV-2 spike protein. J.Biol.Chem., 297, 2021
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