5I6C
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![BU of 5i6c by Molmil](/molmil-images/mine/5i6c) | The structure of the eukaryotic purine/H+ symporter, UapA, in complex with Xanthine | 分子名称: | DODECYL-BETA-D-MALTOSIDE, Uric acid-xanthine permease, XANTHINE | 著者 | Alguel, Y, Amillis, S, Leung, J, Lambrinidis, G, Capaldi, S, Scull, N.J, Craven, G, Iwata, S, Armstrong, A, Mikros, E, Diallinas, G, Cameron, A.D, Byrne, B. | 登録日 | 2016-02-16 | 公開日 | 2016-04-27 | 最終更新日 | 2017-08-30 | 実験手法 | X-RAY DIFFRACTION (3.7 Å) | 主引用文献 | Structure of eukaryotic purine/H(+) symporter UapA suggests a role for homodimerization in transport activity. Nat Commun, 7, 2016
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6YL1
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![BU of 6yl1 by Molmil](/molmil-images/mine/6yl1) | Cdk2(F80C) with Covalent Adduct TK37 at F80C | 分子名称: | Cyclin-dependent kinase 2, methyl 4-(cyclopropylmethyl)-1-prop-2-enoyl-2,3-dihydroquinoxaline-6-carboxylate | 著者 | Craven, G, Morgan, R.M.L, Mann, D.J. | 登録日 | 2020-04-06 | 公開日 | 2020-07-22 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Multiparameter Kinetic Analysis for Covalent Fragment Optimization by Using Quantitative Irreversible Tethering (qIT). Chembiochem, 21, 2020
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6YL6
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![BU of 6yl6 by Molmil](/molmil-images/mine/6yl6) | Cdk2(F80C) | 分子名称: | Cyclin-dependent kinase 2 | 著者 | Craven, G, Morgan, R.M.L, Mann, D.J. | 登録日 | 2020-04-06 | 公開日 | 2020-07-22 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Multiparameter Kinetic Analysis for Covalent Fragment Optimization by Using Quantitative Irreversible Tethering (qIT). Chembiochem, 21, 2020
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6YLK
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![BU of 6ylk by Molmil](/molmil-images/mine/6ylk) | Cdk2(F80C) with Covalent Adduct TK22 at F80C | 分子名称: | Cyclin-dependent kinase 2, methyl 4-ethyl-1-propanoyl-2,3-dihydroquinoxaline-6-carboxylate | 著者 | Craven, G, Morgan, R.M.L, Mann, D.J. | 登録日 | 2020-04-07 | 公開日 | 2020-07-22 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Multiparameter Kinetic Analysis for Covalent Fragment Optimization by Using Quantitative Irreversible Tethering (qIT). Chembiochem, 21, 2020
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7WYL
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![BU of 7wyl by Molmil](/molmil-images/mine/7wyl) | Structure of the EV71 3Cpro with 337 inhibitor | 分子名称: | 3C protein, N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide | 著者 | Qin, B, Hou, P, Gao, X, Cui, S. | 登録日 | 2022-02-16 | 公開日 | 2022-06-22 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | Acrylamide fragment inhibitors that induce unprecedented conformational distortions in enterovirus 71 3C and SARS-CoV-2 main protease. Acta Pharm Sin B, 12, 2022
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7WYO
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![BU of 7wyo by Molmil](/molmil-images/mine/7wyo) | Structure of the EV71 3Cpro with 338 inhibitor | 分子名称: | 3C protein, N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)prop-2-enamide | 著者 | Qin, B, Hou, P, Gao, X, Cui, S. | 登録日 | 2022-02-16 | 公開日 | 2022-06-22 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.402 Å) | 主引用文献 | Acrylamide fragment inhibitors that induce unprecedented conformational distortions in enterovirus 71 3C and SARS-CoV-2 main protease. Acta Pharm Sin B, 12, 2022
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7WYM
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![BU of 7wym by Molmil](/molmil-images/mine/7wym) | Structure of the SARS-COV-2 main protease with 337 inhibitor | 分子名称: | 3C-like proteinase nsp5, N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide | 著者 | Qin, B, Hou, P, Gao, X, Cui, S. | 登録日 | 2022-02-16 | 公開日 | 2022-06-22 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Acrylamide fragment inhibitors that induce unprecedented conformational distortions in enterovirus 71 3C and SARS-CoV-2 main protease. Acta Pharm Sin B, 12, 2022
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7WYP
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![BU of 7wyp by Molmil](/molmil-images/mine/7wyp) | Structure of the SARS-COV-2 main protease with EN102 inhibitor | 分子名称: | 3C-like proteinase, N-(1,3-benzothiazol-2-ylmethyl)-N-cyclopropyl-prop-2-enamide | 著者 | Qin, B, Hou, P, Gao, X, Cui, S. | 登録日 | 2022-02-16 | 公開日 | 2022-06-22 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Acrylamide fragment inhibitors that induce unprecedented conformational distortions in enterovirus 71 3C and SARS-CoV-2 main protease. Acta Pharm Sin B, 12, 2022
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7OPQ
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![BU of 7opq by Molmil](/molmil-images/mine/7opq) | Rab27a fusion with Slp2a-RBDa1 effector covalent adduct with CA1 in C188 | 分子名称: | 1-[(2~{S})-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one, GLYCEROL, MAGNESIUM ION, ... | 著者 | Jamshidiha, M, Tersa, M, Lanyon-Hogg, T, Perez-Dorado, I, Sutherell, C.L, De Vita, E, Morgan, R.M.L, Tate, E.W, Cota, E. | 登録日 | 2021-06-01 | 公開日 | 2022-04-06 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Identification of the first structurally validated covalent ligands of the small GTPase RAB27A. Rsc Med Chem, 13, 2022
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7OPR
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![BU of 7opr by Molmil](/molmil-images/mine/7opr) | Rab27a fusion with Slp2a-RBDa1 effector covalent adduct with CB1 in C123 | 分子名称: | GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | 著者 | Jamshidiha, M, Tersa, M, Lanyon-Hogg, T, Perez-Dorado, I, Sutherell, C.L, De Vita, E, Morgan, R.M.L, Tate, E.W, Cota, E. | 登録日 | 2021-06-01 | 公開日 | 2022-04-06 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | Identification of the first structurally validated covalent ligands of the small GTPase RAB27A. Rsc Med Chem, 13, 2022
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7OPP
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![BU of 7opp by Molmil](/molmil-images/mine/7opp) | Crystal structure of the Rab27a fusion with Slp2a-RBDa1 effector for SF4 pocket drug targeting | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Synaptotagmin-like protein 2,Ras-related protein Rab-27A | 著者 | Jamshidiha, M, Tersa, M, Lanyon-Hogg, T, Perez-Dorado, I, Sutherell, C.L, De Vita, E, Morgan, R.M.L, Tate, E.W, Cota, E. | 登録日 | 2021-06-01 | 公開日 | 2022-04-06 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | Identification of the first structurally validated covalent ligands of the small GTPase RAB27A. Rsc Med Chem, 13, 2022
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5OO0
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![BU of 5oo0 by Molmil](/molmil-images/mine/5oo0) | |
5OO1
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![BU of 5oo1 by Molmil](/molmil-images/mine/5oo1) | |
5OSJ
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![BU of 5osj by Molmil](/molmil-images/mine/5osj) | Cdk2(WT) with covalent adduct at C177 | 分子名称: | Cyclin-dependent kinase 2, ~{tert}-butyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate | 著者 | Craven, G, Morgan, R.M.L, Mann, D.J. | 登録日 | 2017-08-17 | 公開日 | 2018-03-14 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | High-Throughput Kinetic Analysis for Target-Directed Covalent Ligand Discovery. Angew. Chem. Int. Ed. Engl., 57, 2018
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5OO3
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![BU of 5oo3 by Molmil](/molmil-images/mine/5oo3) | |
5OSM
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![BU of 5osm by Molmil](/molmil-images/mine/5osm) | Cdk2(F80C, C177A) with covalent adduct at C80 | 分子名称: | Cyclin-dependent kinase 2, methyl 1-propanoyl-3,4-dihydro-2~{H}-quinoline-6-carboxylate | 著者 | Craven, G, Morgan, R.M.L, Mann, D.J. | 登録日 | 2017-08-17 | 公開日 | 2018-03-14 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | High-Throughput Kinetic Analysis for Target-Directed Covalent Ligand Discovery. Angew. Chem. Int. Ed. Engl., 57, 2018
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