5LZ5
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![BU of 5lz5 by Molmil](/molmil-images/mine/5lz5) | Fragment-based inhibitors of Lipoprotein associated Phospholipase A2 | 分子名称: | 2-fluoranyl-5-[2-[(4~{S})-4-methyl-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase | 著者 | Woolford, A.J.A, Day, P.J. | 登録日 | 2016-09-29 | 公開日 | 2016-12-21 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2). J. Med. Chem., 59, 2016
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5LZ8
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![BU of 5lz8 by Molmil](/molmil-images/mine/5lz8) | Fragment-based inhibitors of Lipoprotein associated Phospholipase A2 | 分子名称: | 5-[2-[(4~{S})-4-~{tert}-butyl-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]-2-fluoranyl-benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase | 著者 | Woolford, A, Day, P. | 登録日 | 2016-09-29 | 公開日 | 2016-12-21 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2). J. Med. Chem., 59, 2016
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5LZ4
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![BU of 5lz4 by Molmil](/molmil-images/mine/5lz4) | Fragment-based inhibitors of Lipoprotein associated Phospholipase A2 | 分子名称: | 5-[2-(4,4-dimethyl-2-oxidanylidene-pyrrolidin-1-yl)ethoxy]-2-fluoranyl-benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase | 著者 | Woolford, A, Day, P. | 登録日 | 2016-09-29 | 公開日 | 2016-12-21 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2). J. Med. Chem., 59, 2016
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5LYY
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![BU of 5lyy by Molmil](/molmil-images/mine/5lyy) | Fragment-based inhibitors of Lipoprotein associated Phospholipase A2 | 分子名称: | 3-[2-(4-fluoranylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione, Platelet-activating factor acetylhydrolase | 著者 | Woolford, A, Day, P. | 登録日 | 2016-09-29 | 公開日 | 2016-12-21 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2). J. Med. Chem., 59, 2016
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5LZ9
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![BU of 5lz9 by Molmil](/molmil-images/mine/5lz9) | Fragment-based inhibitors of Lipoprotein associated Phospholipase A2 | 分子名称: | 2-fluoranyl-5-[2-[(4~{S})-4-[4-methyl-1,1-bis(oxidanylidene)thian-4-yl]-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase, ... | 著者 | Woolford, A, Day, P. | 登録日 | 2016-09-29 | 公開日 | 2016-12-21 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2). J. Med. Chem., 59, 2016
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5LZ2
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![BU of 5lz2 by Molmil](/molmil-images/mine/5lz2) | Fragment-based inhibitors of Lipoprotein associated Phospholipase A2 | 分子名称: | 3-cyano-~{N}-cyclopropyl-benzenesulfonamide, CHLORIDE ION, Platelet-activating factor acetylhydrolase, ... | 著者 | Woolford, A, Day, P. | 登録日 | 2016-09-29 | 公開日 | 2016-12-21 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2). J. Med. Chem., 59, 2016
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5LZ7
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![BU of 5lz7 by Molmil](/molmil-images/mine/5lz7) | Fragment-based inhibitors of Lipoprotein associated Phospholipase A2 | 分子名称: | 2-fluoranyl-5-[2-[(4~{R})-4-methyl-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase | 著者 | Woolford, A, Day, P. | 登録日 | 2016-09-29 | 公開日 | 2016-12-21 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2). J. Med. Chem., 59, 2016
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1E88
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![BU of 1e88 by Molmil](/molmil-images/mine/1e88) | Solution structure of 6F11F22F2, a compact three-module fragment of the gelatin-binding domain of human fibronectin | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FIBRONECTIN | 著者 | Pickford, A.R, Smith, S.P, Staunton, D, Boyd, J, Campbell, I.D. | 登録日 | 2000-09-18 | 公開日 | 2000-10-09 | 最終更新日 | 2020-07-29 | 実験手法 | SOLUTION NMR | 主引用文献 | The Hairpin Structure of the (6)F1(1)F2(2)F2 Fragment from Human Fibronectin Enhances Gelatin Binding Embo J., 20, 2001
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1E8B
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![BU of 1e8b by Molmil](/molmil-images/mine/1e8b) | Solution structure of 6F11F22F2, a compact three-module fragment of the gelatin-binding domain of human fibronectin | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FIBRONECTIN | 著者 | Pickford, A.R, Smith, S.P, Staunton, D, Boyd, J, Campbell, I.D. | 登録日 | 2000-09-18 | 公開日 | 2000-10-15 | 最終更新日 | 2020-07-29 | 実験手法 | SOLUTION NMR | 主引用文献 | The Hairpin Structure of the (6)F1(1)F2(2)F2 Fragment from Human Fibronectin Enhances Gelatin Binding Embo J., 20, 2001
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5J0L
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![BU of 5j0l by Molmil](/molmil-images/mine/5j0l) | De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity | 分子名称: | designed protein 3L6HC2_2 | 著者 | Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G. | 登録日 | 2016-03-28 | 公開日 | 2016-07-06 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.63 Å) | 主引用文献 | De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity. Science, 352, 2016
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5J73
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![BU of 5j73 by Molmil](/molmil-images/mine/5j73) | De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity | 分子名称: | protein design 2L4HC2_9 | 著者 | Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G. | 登録日 | 2016-04-05 | 公開日 | 2016-05-25 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | 主引用文献 | De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity. Science, 352, 2016
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5J2L
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![BU of 5j2l by Molmil](/molmil-images/mine/5j2l) | De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity | 分子名称: | protein design 2L4HC2_11 | 著者 | Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G. | 登録日 | 2016-03-29 | 公開日 | 2016-05-25 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity. Science, 352, 2016
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5J0J
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![BU of 5j0j by Molmil](/molmil-images/mine/5j0j) | De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity | 分子名称: | designed protein 2L6HC3_6 | 著者 | Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G. | 登録日 | 2016-03-28 | 公開日 | 2016-05-25 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.256 Å) | 主引用文献 | De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity. Science, 352, 2016
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5J0K
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![BU of 5j0k by Molmil](/molmil-images/mine/5j0k) | De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity | 分子名称: | designed protein 2L4HC2_23 | 著者 | Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G. | 登録日 | 2016-03-28 | 公開日 | 2016-05-25 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity. Science, 352, 2016
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5J0H
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![BU of 5j0h by Molmil](/molmil-images/mine/5j0h) | De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity | 分子名称: | Design construct 2L6HC3_13 | 著者 | Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G. | 登録日 | 2016-03-28 | 公開日 | 2016-05-25 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity. Science, 352, 2016
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5J10
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![BU of 5j10 by Molmil](/molmil-images/mine/5j10) | De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity | 分子名称: | peptide design 2L4HC2_24 | 著者 | Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G. | 登録日 | 2016-03-28 | 公開日 | 2016-05-25 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity. Science, 352, 2016
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5J0I
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![BU of 5j0i by Molmil](/molmil-images/mine/5j0i) | De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity | 分子名称: | Designed protein 2L6HC3_12 | 著者 | Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G. | 登録日 | 2016-03-28 | 公開日 | 2016-05-25 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.202 Å) | 主引用文献 | De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity. Science, 352, 2016
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5V2O
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![BU of 5v2o by Molmil](/molmil-images/mine/5v2o) | De Novo Design of Novel Covalent Constrained Meso-size Peptide Scaffolds with Unique Tertiary Structures | 分子名称: | 1,3,5-BENZENETRICARBOXYLIC ACID, GLYCEROL, NONAETHYLENE GLYCOL, ... | 著者 | Dang, B, Wu, H, Mulligan, V.K, Mravic, M, Wu, Y, Lemmin, T, Ford, A, Silva, D, Baker, D, DeGrado, W.F. | 登録日 | 2017-03-06 | 公開日 | 2017-10-04 | 最終更新日 | 2017-11-08 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | De novo design of covalently constrained mesosize protein scaffolds with unique tertiary structures. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5V2G
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![BU of 5v2g by Molmil](/molmil-images/mine/5v2g) | De Novo Design of Novel Covalent Constrained Meso-size Peptide Scaffolds with Unique Tertiary Structures | 分子名称: | 1,3,5-tris(bromomethyl)benzene, 20-mer Peptide | 著者 | Dang, B, Wu, H, Mulligan, V.K, Mravic, M, Wu, Y, Lemmin, T, Ford, A, Silva, D, Baker, D, DeGrado, W.F. | 登録日 | 2017-03-03 | 公開日 | 2017-09-27 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | De novo design of covalently constrained mesosize protein scaffolds with unique tertiary structures. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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2LDC
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![BU of 2ldc by Molmil](/molmil-images/mine/2ldc) | Solution structure of the estrogen receptor-binding stapled peptide SP1 (Ac-HXILHXLLQDS-NH2) | 分子名称: | Estrogen receptor-binding stapled peptide SP1 | 著者 | Phillips, C, Bazin, R, Bent, A, Davies, N, Moore, R, Pannifer, A, Pickford, A, Prior, S, Read, C, Roberts, L, Schade, M, Scott, A, Brown, D, Xu, B, Irving, S. | 登録日 | 2011-05-20 | 公開日 | 2011-07-06 | 最終更新日 | 2023-11-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Design and structure of stapled peptides binding to estrogen receptors. J.Am.Chem.Soc., 133, 2011
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5JAD
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![BU of 5jad by Molmil](/molmil-images/mine/5jad) | |
7ROY
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![BU of 7roy by Molmil](/molmil-images/mine/7roy) | The structure of the Fem1B:FNIP1 complex | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Folliculin-interacting protein 1, Protein fem-1 homolog B, ... | 著者 | Gee, C.L, Mena, E.L, Manford, A.G, Rape, M. | 登録日 | 2021-08-02 | 公開日 | 2021-10-13 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural basis and regulation of the reductive stress response. Cell, 184, 2021
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5FNQ
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![BU of 5fnq by Molmil](/molmil-images/mine/5fnq) | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | 分子名称: | 3-(4-CHLOROPHENYL)PROPANOIC ACID, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | 著者 | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | 登録日 | 2015-11-16 | 公開日 | 2016-04-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery. J.Med.Chem., 59, 2016
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5FZN
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![BU of 5fzn by Molmil](/molmil-images/mine/5fzn) | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | 分子名称: | KELCH-LIKE ECH-ASSOCIATED PROTEIN 1, SULFATE ION, benzenesulfonamide | 著者 | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | 登録日 | 2016-03-15 | 公開日 | 2016-04-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery. J.Med.Chem., 59, 2016
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6MJW
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![BU of 6mjw by Molmil](/molmil-images/mine/6mjw) | human cGAS catalytic domain bound with the inhibitor G150 | 分子名称: | 1-[9-(6-aminopyridin-3-yl)-6,7-dichloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one, Cyclic GMP-AMP synthase, ZINC ION | 著者 | Lama, L, Adura, C, Xie, W, Tomita, D, Kamei, T, Kuryavyi, V, Gogakos, T, Steinberg, J.I, Miller, M, Ramos-Espiritu, L, Asano, Y, Hashizume, S, Aida, J, Imaeda, T, Okamoto, R, Jennings, A.J, Michinom, M, Kuroita, T, Stamford, A, Gao, P, Meinke, P, Glickman, J.F, Patel, D.J, Tuschl, T. | 登録日 | 2018-09-23 | 公開日 | 2019-05-29 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.405 Å) | 主引用文献 | Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression. Nat Commun, 10, 2019
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