3WUF
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![BU of 3wuf by Molmil](/molmil-images/mine/3wuf) | The mutant crystal structure of b-1,4-Xylanase (XynAS9_V43P/G44E) from Streptomyces sp. 9 | 分子名称: | Endo-1,4-beta-xylanase A, ZINC ION | 著者 | Chen, C.C, Han, X, Lv, P, Ko, T.P, Peng, W, Huang, C.H, Zheng, Y, Gao, J, Yang, Y.Y, Guo, R.T. | 登録日 | 2014-04-23 | 公開日 | 2014-10-29 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Structural perspectives of an engineered beta-1,4-xylanase with enhanced thermostability. J.Biotechnol., 189C, 2014
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5WDF
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7D88
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![BU of 7d88 by Molmil](/molmil-images/mine/7d88) | |
7D89
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3RYW
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![BU of 3ryw by Molmil](/molmil-images/mine/3ryw) | Crystal structure of P. vivax geranylgeranyl diphosphate synthase complexed with BPH-811 | 分子名称: | Farnesyl pyrophosphate synthase, MAGNESIUM ION, SULFATE ION, ... | 著者 | No, J.H, Liu, Y.-L, Zhang, Y, Oldfield, E. | 登録日 | 2011-05-11 | 公開日 | 2012-05-23 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Lipophilic analogs of zoledronate and risedronate inhibit Plasmodium geranylgeranyl diphosphate synthase (GGPPS) and exhibit potent antimalarial activity. Proc.Natl.Acad.Sci.USA, 109, 2012
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7FAY
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![BU of 7fay by Molmil](/molmil-images/mine/7fay) | Crystal structure of SARS-CoV-2 main protease in complex with (R)-1a | 分子名称: | (2~{R})-~{N}-[(1~{R})-2-(~{tert}-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-~{N}-(4-~{tert}-butylphenyl)-2-oxidanyl-propanamide, 3C-like proteinase | 著者 | Zeng, R, Quan, B.X, Liu, X.L, Lei, J. | 登録日 | 2021-07-08 | 公開日 | 2021-07-21 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | An orally available M pro inhibitor is effective against wild-type SARS-CoV-2 and variants including Omicron. Nat Microbiol, 7, 2022
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7FAZ
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![BU of 7faz by Molmil](/molmil-images/mine/7faz) | Crystal structure of the SARS-CoV-2 main protease in complex with Y180 | 分子名称: | (2~{R})-~{N}-dibenzofuran-3-yl-~{N}-[(1~{R})-2-[[(1~{S})-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2-oxidanyl-propanamide, 3C-like proteinase, SODIUM ION | 著者 | Zeng, R, Quan, B.X, Liu, X.L, Lei, J. | 登録日 | 2021-07-08 | 公開日 | 2021-07-21 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | An orally available M pro inhibitor is effective against wild-type SARS-CoV-2 and variants including Omicron. Nat Microbiol, 7, 2022
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4P0V
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![BU of 4p0v by Molmil](/molmil-images/mine/4p0v) | Crystal structure of human farnesyl diphosphoate synthase in complex with zoledronate and taxodione | 分子名称: | (5beta)-11-hydroxyabieta-7,9(11),13-triene-6,12-dione, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | 著者 | Liu, Y.L, Oldfield, E. | 登録日 | 2014-02-23 | 公開日 | 2014-07-02 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Taxodione and arenarone inhibit farnesyl diphosphate synthase by binding to the isopentenyl diphosphate site. Proc.Natl.Acad.Sci.USA, 111, 2014
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4P0X
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3TFP
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![BU of 3tfp by Molmil](/molmil-images/mine/3tfp) | Crystal Structure of Dehydrosqualene Synthase (CrtM) from S. aureus Complexed with BPH-1162 | 分子名称: | 2-({2-chloro-6-[(2,4-dichlorophenyl)sulfanyl]benzyl}carbamoyl)benzoic acid, Dehydrosqualene synthase, MAGNESIUM ION | 著者 | Lin, F.-Y, Liu, Y.-L, Zhang, Y, Oldfield, E. | 登録日 | 2011-08-16 | 公開日 | 2012-04-04 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Dual dehydrosqualene/squalene synthase inhibitors: leads for innate immune system-based therapeutics. Chemmedchem, 7, 2012
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4P0W
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![BU of 4p0w by Molmil](/molmil-images/mine/4p0w) | Human farnesyl diphosphate synthase in complex with Arenarone and zoledronate | 分子名称: | 2-{[(1S,2R,4aS,8aR)-1,2,4a-trimethyl-5-methylidenedecahydronaphthalen-1-yl]methyl}cyclohexa-2,5-diene-1,4-dione, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | 著者 | Liu, Y.L, Oldfield, E. | 登録日 | 2014-02-23 | 公開日 | 2014-07-02 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.406 Å) | 主引用文献 | Taxodione and arenarone inhibit farnesyl diphosphate synthase by binding to the isopentenyl diphosphate site. Proc.Natl.Acad.Sci.USA, 111, 2014
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3TFV
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![BU of 3tfv by Molmil](/molmil-images/mine/3tfv) | Crystal structure of dehydrosqualene synthase (crtm) from s. aureus complexed with bph-1154 | 分子名称: | 5-bromo-2-{[3-(octyloxy)benzyl]sulfanyl}benzoic acid, Dehydrosqualene synthase, MAGNESIUM ION | 著者 | Lin, F.-Y, Zhang, Y, Liu, Y.-L, Oldfield, E. | 登録日 | 2011-08-16 | 公開日 | 2012-04-04 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Dual dehydrosqualene/squalene synthase inhibitors: leads for innate immune system-based therapeutics. Chemmedchem, 7, 2012
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4PLK
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3TFN
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4MUX
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![BU of 4mux by Molmil](/molmil-images/mine/4mux) | IspH in complex with pyridin-3-ylmethyl diphosphate | 分子名称: | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, pyridin-3-ylmethyl trihydrogen diphosphate | 著者 | Span, I, Eisenreich, W, Bacher, A, Oldfield, E, Groll, M. | 登録日 | 2013-09-23 | 公開日 | 2014-06-18 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Insights into the Binding of Pyridines to the Iron-Sulfur Enzyme IspH. J.Am.Chem.Soc., 136, 2014
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4PLJ
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7EAK
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![BU of 7eak by Molmil](/molmil-images/mine/7eak) | Echovirus3 full particle in complex with 5G3 fab | 分子名称: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | 著者 | Feng, R. | 登録日 | 2021-03-07 | 公開日 | 2021-07-14 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Structural basis for neutralization of an anicteric hepatitis associated echovirus by a potent neutralizing antibody. Cell Discov, 7, 2021
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7EAH
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![BU of 7eah by Molmil](/molmil-images/mine/7eah) | Echovirus3 empty expanded particle | 分子名称: | Capsid protein VP0, Capsid protein VP1, Capsid protein VP3 | 著者 | Feng, R. | 登録日 | 2021-03-07 | 公開日 | 2021-07-14 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Structural basis for neutralization of an anicteric hepatitis associated echovirus by a potent neutralizing antibody. Cell Discov, 7, 2021
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7EAI
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![BU of 7eai by Molmil](/molmil-images/mine/7eai) | Echovirus3 empty compacted particle | 分子名称: | Capsid protein VP0, Capsid protein VP1, Capsid protein VP3, ... | 著者 | Feng, R. | 登録日 | 2021-03-07 | 公開日 | 2021-07-14 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Structural basis for neutralization of an anicteric hepatitis associated echovirus by a potent neutralizing antibody. Cell Discov, 7, 2021
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7EAJ
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3RBM
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![BU of 3rbm by Molmil](/molmil-images/mine/3rbm) | Crystal structure of Plasmodium vivax geranylgeranylpyrophosphate synthase complexed with BPH -703 | 分子名称: | 3-(2,2-diphosphonoethyl)-1-dodecyl-1H-imidazol-3-ium, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | 著者 | Liu, Y.L, No, J.H, Oldfield, E. | 登録日 | 2011-03-29 | 公開日 | 2012-02-29 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | 主引用文献 | Lipophilic analogs of zoledronate and risedronate inhibit Plasmodium geranylgeranyl diphosphate synthase (GGPPS) and exhibit potent antimalarial activity. Proc.Natl.Acad.Sci.USA, 109, 2012
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8HHT
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![BU of 8hht by Molmil](/molmil-images/mine/8hht) | Crystal structure of the SARS-CoV-2 main protease in complex with Hit-1 | 分子名称: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide | 著者 | Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | 登録日 | 2022-11-17 | 公開日 | 2023-03-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants. Signal Transduct Target Ther, 8, 2023
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8HHU
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![BU of 8hhu by Molmil](/molmil-images/mine/8hhu) | Crystal structure of the SARS-CoV-2 main protease in complex with SY110 | 分子名称: | (1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide, 3C-like proteinase nsp5 | 著者 | Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | 登録日 | 2022-11-17 | 公開日 | 2023-03-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.258 Å) | 主引用文献 | A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants. Signal Transduct Target Ther, 8, 2023
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6M08
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![BU of 6m08 by Molmil](/molmil-images/mine/6m08) | Crystal structure of Lp-PLA2 in complex with a novel covalent inhibitor. | 分子名称: | (2S)-2-[(Z)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid, Platelet-activating factor acetylhydrolase | 著者 | Hu, H.C, Xu, Y.C. | 登録日 | 2020-02-20 | 公開日 | 2020-12-30 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Identification of Highly Selective Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Inhibitors by a Covalent Fragment-Based Approach. J.Med.Chem., 63, 2020
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6M07
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![BU of 6m07 by Molmil](/molmil-images/mine/6m07) | Crystal structure of Lp-PLA2 in complex with a novel covalent inhibitor | 分子名称: | (2S)-2-[(E)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid, Platelet-activating factor acetylhydrolase | 著者 | Hu, H.C, Xu, Y.C. | 登録日 | 2020-02-20 | 公開日 | 2020-12-30 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | 主引用文献 | Identification of Highly Selective Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Inhibitors by a Covalent Fragment-Based Approach. J.Med.Chem., 63, 2020
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