6O8C
| Crystal structure of STING CTT in complex with TBK1 | 分子名称: | N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1, Stimulator of interferon genes protein | 著者 | Li, P, Zhao, B, Du, F. | 登録日 | 2019-03-09 | 公開日 | 2019-05-22 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.17 Å) | 主引用文献 | A conserved PLPLRT/SD motif of STING mediates the recruitment and activation of TBK1. Nature, 569, 2019
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6O8B
| Crystal structure of STING CTD in complex with TBK1 | 分子名称: | N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1, Stimulator of interferon genes protein | 著者 | Li, P, Zhao, B, Du, F. | 登録日 | 2019-03-09 | 公開日 | 2019-05-22 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | A conserved PLPLRT/SD motif of STING mediates the recruitment and activation of TBK1. Nature, 569, 2019
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5U0C
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5U0B
| Structure of full-length Zika virus NS5 | 分子名称: | Genome polyprotein, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ... | 著者 | Zhao, B, Du, F. | 登録日 | 2016-11-23 | 公開日 | 2017-03-29 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structure and function of the Zika virus full-length NS5 protein. Nat Commun, 8, 2017
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8DT3
| Cryo-EM structure of spike binding to Fab of neutralizing antibody (locally refined) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain Fab of SW186, Light chain Fab of SW186, ... | 著者 | Sun, P.C, Fang, Y, Bai, X.C, Chen, Z.J. | 登録日 | 2022-07-25 | 公開日 | 2022-08-03 | 最終更新日 | 2022-11-09 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | An antibody that neutralizes SARS-CoV-1 and SARS-CoV-2 by binding to a conserved spike epitope outside the receptor binding motif. Sci Immunol, 7, 2022
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5JEL
| Phosphorylated TRIF in complex with IRF-3 | 分子名称: | Interferon regulatory factor 3, Phosphorylated TRIF peptide | 著者 | Zhao, B, Li, P. | 登録日 | 2016-04-18 | 公開日 | 2016-06-15 | 最終更新日 | 2016-06-29 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structural basis for concerted recruitment and activation of IRF-3 by innate immune adaptor proteins. Proc.Natl.Acad.Sci.USA, 113, 2016
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5JEO
| Phosphorylated Rotavirus NSP1 in complex with IRF-3 | 分子名称: | Interferon regulatory factor 3, PHOSPHATE ION, Rotavirus NSP1 peptide | 著者 | Zhao, B, Li, P. | 登録日 | 2016-04-18 | 公開日 | 2016-06-15 | 最終更新日 | 2016-06-29 | 実験手法 | X-RAY DIFFRACTION (1.719 Å) | 主引用文献 | Structural basis for concerted recruitment and activation of IRF-3 by innate immune adaptor proteins. Proc.Natl.Acad.Sci.USA, 113, 2016
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5JEM
| Complex of IRF-3 with CBP | 分子名称: | CREB-binding protein, Interferon regulatory factor 3 | 著者 | Zhao, B, Li, P. | 登録日 | 2016-04-18 | 公開日 | 2016-06-15 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural basis for concerted recruitment and activation of IRF-3 by innate immune adaptor proteins. Proc.Natl.Acad.Sci.USA, 113, 2016
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5JER
| Structure of Rotavirus NSP1 bound to IRF-3 | 分子名称: | Interferon regulatory factor 3, Rotavirus NSP1 peptide | 著者 | Zhao, B, Li, P. | 登録日 | 2016-04-18 | 公開日 | 2016-06-15 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.913 Å) | 主引用文献 | Structural basis for concerted recruitment and activation of IRF-3 by innate immune adaptor proteins. Proc.Natl.Acad.Sci.USA, 113, 2016
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5JEJ
| Phosphorylated STING in complex with IRF-3 CTD | 分子名称: | Interferon regulatory factor 3, Stimulator of interferon genes protein | 著者 | Li, P, Shu, C. | 登録日 | 2016-04-18 | 公開日 | 2016-06-15 | 最終更新日 | 2016-06-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural basis for concerted recruitment and activation of IRF-3 by innate immune adaptor proteins. Proc.Natl.Acad.Sci.USA, 113, 2016
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4O67
| Human cyclic GMP-AMP synthase (cGAS) in complex with GAMP | 分子名称: | Cyclic GMP-AMP synthase, ZINC ION, cGAMP | 著者 | Zhang, X, Chen, Z, Zhang, X.W, Chen, Z.J. | 登録日 | 2013-12-20 | 公開日 | 2014-02-05 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.444 Å) | 主引用文献 | The Cytosolic DNA Sensor cGAS Forms an Oligomeric Complex with DNA and Undergoes Switch-like Conformational Changes in the Activation Loop. Cell Rep, 6, 2014
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4O68
| Structure of human cyclic GMP-AMP synthase (cGAS) | 分子名称: | Cyclic GMP-AMP synthase, ZINC ION | 著者 | Zhang, X, Chen, Z, Zhang, X.W, Chen, Z.J. | 登録日 | 2013-12-20 | 公開日 | 2014-02-05 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.436 Å) | 主引用文献 | The Cytosolic DNA Sensor cGAS Forms an Oligomeric Complex with DNA and Undergoes Switch-like Conformational Changes in the Activation Loop. Cell Rep, 6, 2014
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4O6A
| Mouse cyclic GMP-AMP synthase (cGAS) in complex with DNA | 分子名称: | Cyclic GMP-AMP synthase, DNA1, DNA2, ... | 著者 | Zhang, X, Chen, Z, Zhang, X.W, Chen, Z.J. | 登録日 | 2013-12-20 | 公開日 | 2014-02-05 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.859 Å) | 主引用文献 | The Cytosolic DNA Sensor cGAS Forms an Oligomeric Complex with DNA and Undergoes Switch-like Conformational Changes in the Activation Loop. Cell Rep, 6, 2014
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4O69
| Human cyclic GMP-AMP synthase (cGAS) in complex with sulfate ion | 分子名称: | Cyclic GMP-AMP synthase, SULFATE ION, ZINC ION | 著者 | Zhang, X, Chen, Z, Zhang, X.W, Chen, Z.J. | 登録日 | 2013-12-20 | 公開日 | 2014-02-05 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.252 Å) | 主引用文献 | The Cytosolic DNA Sensor cGAS Forms an Oligomeric Complex with DNA and Undergoes Switch-like Conformational Changes in the Activation Loop. Cell Rep, 6, 2014
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7V18
| Factor XIa in Complex with Compound 3f | 分子名称: | 2-[(1~{R})-3-[bis(fluoranyl)methoxy]-1-[4-(3-methyl-1,2,3-triazol-4-yl)pyrazol-1-yl]propyl]-5-[3-chloranyl-6-(4-chloranyl-1,2,3-triazol-1-yl)-2-fluoranyl-phenyl]-1-oxidanyl-pyridine, CITRIC ACID, Coagulation factor XIa light chain | 著者 | Shaffer, P.L, Milligan, C.M. | 登録日 | 2022-05-11 | 公開日 | 2022-08-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.732 Å) | 主引用文献 | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions. J.Med.Chem., 65, 2022
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7V14
| Factor XIa in Complex with Compound 2h | 分子名称: | 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-1,3-thiazole, CITRIC ACID, Coagulation factor XIa light chain | 著者 | Shaffer, P.L, Cedervall, P, Milligan, C.M. | 登録日 | 2022-05-11 | 公開日 | 2022-08-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.697 Å) | 主引用文献 | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions. J.Med.Chem., 65, 2022
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7V13
| Factor XIa in Complex with Compound 2g | 分子名称: | 3-chloranyl-4-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-5-fluoranyl-pyridine, CITRIC ACID, Coagulation factor XIa light chain | 著者 | Shaffer, P.L, Milligan, C.M, Cedervall, P. | 登録日 | 2022-05-11 | 公開日 | 2022-08-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.589 Å) | 主引用文献 | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions. J.Med.Chem., 65, 2022
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7V17
| Factor XIa in Complex with Compound 2k | 分子名称: | 5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-2-[(1~{R})-2-cyclopropyl-1-[4-(3-methylimidazol-4-yl)pyrazol-1-yl]ethyl]-1-oxidanyl-pyridine, CITRIC ACID, Coagulation factor XIa light chain | 著者 | Shaffer, P.L, Milligan, C.M, Cedervall, P. | 登録日 | 2022-05-11 | 公開日 | 2022-08-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.522 Å) | 主引用文献 | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions. J.Med.Chem., 65, 2022
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7V12
| Factor XIa in Complex with Compound 2f | 分子名称: | 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-6-fluoranyl-pyridin-2-amine, CITRIC ACID, Coagulation factor XIa light chain | 著者 | Shaffer, P.L, Spurlino, J, Milligan, C.M. | 登録日 | 2022-05-11 | 公開日 | 2022-08-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.631 Å) | 主引用文献 | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions. J.Med.Chem., 65, 2022
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7UQ2
| Vs.4 from T4 phage in complex with cGAMP | 分子名称: | 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, CALCIUM ION, Vs.4 | 著者 | Jenson, J.M, Chen, Z.J. | 登録日 | 2022-04-18 | 公開日 | 2023-02-08 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Ubiquitin-like conjugation by bacterial cGAS enhances anti-phage defence. Nature, 616, 2023
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7V0Z
| Factor XIa in Complex with Compound 2a | 分子名称: | Coagulation factor XIa light chain, methyl ~{N}-[4-[1-[(1~{R})-1-[5-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]phenyl]carbamate | 著者 | Shaffer, P.L, Spurlino, J, Milligan, C.M. | 登録日 | 2022-05-11 | 公開日 | 2022-08-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions. J.Med.Chem., 65, 2022
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7V16
| Factor XIa in Complex with Compound 2j | 分子名称: | 5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-2-[(1~{R})-2-cyclopropyl-1-[4-(2-methylpyrazol-3-yl)pyrazol-1-yl]ethyl]-1-oxidanyl-pyridine, CITRIC ACID, Coagulation factor XIa light chain | 著者 | Shaffer, P.L, Milligan, C.M. | 登録日 | 2022-05-11 | 公開日 | 2022-08-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.505 Å) | 主引用文献 | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions. J.Med.Chem., 65, 2022
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7V11
| Factor XIa in Complex with Compound 2e | 分子名称: | 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-6-methyl-pyridin-2-amine, CITRIC ACID, Coagulation factor XIa light chain | 著者 | Shaffer, P.L, Milligan, C.M. | 登録日 | 2022-05-11 | 公開日 | 2022-08-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.472 Å) | 主引用文献 | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions. J.Med.Chem., 65, 2022
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7V15
| Factor XIa in Complex with Compound 2i | 分子名称: | 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-4-methyl-1,3-thiazole, CITRIC ACID, Coagulation factor XIa light chain | 著者 | Shaffer, P.L, Cedervall, P, Milligan, C.M. | 登録日 | 2022-05-11 | 公開日 | 2022-08-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.679 Å) | 主引用文献 | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions. J.Med.Chem., 65, 2022
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7V10
| Factor XIa in Complex with Compound 2d | 分子名称: | CITRIC ACID, Coagulation factor XIa light chain, methyl ~{N}-[4-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]phenyl]carbamate | 著者 | Shaffer, P.L, Spurlino, J, Milligan, C.M. | 登録日 | 2022-05-11 | 公開日 | 2022-08-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.798 Å) | 主引用文献 | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions. J.Med.Chem., 65, 2022
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