5DP4
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![BU of 5dp4 by Molmil](/molmil-images/mine/5dp4) | Crystal Structure of EV71 3C Proteinase in complex with compound 3 | 分子名称: | 3C proteinase, ethyl (2Z,4S)-4-{[(2S)-2-methyl-3-phenylpropanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | 著者 | Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T. | 登録日 | 2015-09-12 | 公開日 | 2016-03-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71 Biochim.Biophys.Acta, 1860, 2016
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6ODC
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![BU of 6odc by Molmil](/molmil-images/mine/6odc) | Crystal structure of HDAC8 in complex with compound 30 | 分子名称: | (2E)-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)phenyl]-N-hydroxyprop-2-enamide, 1,2-ETHANEDIOL, Histone deacetylase 8, ... | 著者 | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | 登録日 | 2019-03-26 | 公開日 | 2020-04-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors To Be Published
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6ODA
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![BU of 6oda by Molmil](/molmil-images/mine/6oda) | Crystal structure of HDAC8 in complex with compound 2 | 分子名称: | Histone deacetylase 8, N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide, POTASSIUM ION, ... | 著者 | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | 登録日 | 2019-03-26 | 公開日 | 2020-04-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | 主引用文献 | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors To Be Published
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5C1Y
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![BU of 5c1y by Molmil](/molmil-images/mine/5c1y) | Crystal structure of EV71 3C Proteinase in complex with Compound 1 | 分子名称: | 3C proteinase, propan-2-yl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate | 著者 | Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T. | 登録日 | 2015-06-15 | 公開日 | 2016-06-01 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71 J.Mol.Recognit., 29, 2016
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5C20
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![BU of 5c20 by Molmil](/molmil-images/mine/5c20) | Crystal structure of EV71 3C Proteinase in complex with Compound 2 | 分子名称: | 2-methylpropyl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C proteinase | 著者 | Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T. | 登録日 | 2015-06-15 | 公開日 | 2016-06-01 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71 J.Mol.Recognit., 29, 2016
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8T5K
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![BU of 8t5k by Molmil](/molmil-images/mine/8t5k) | Crystal structure of STING CTD in complex with BDW-OH | 分子名称: | Stimulator of interferon genes protein, {[(4S)-8,9-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetic acid | 著者 | Li, Y, Li, P, Sun, D. | 登録日 | 2023-06-13 | 公開日 | 2023-07-12 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structural and Biological Evaluations of a Non-Nucleoside STING Agonist Specific for Human STING A230 Variants. Biorxiv, 2023
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5C1X
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![BU of 5c1x by Molmil](/molmil-images/mine/5c1x) | Crystal structure of EV71 3C Proteinase in complex with Compound VIII | 分子名称: | (phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C proteinase | 著者 | Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T. | 登録日 | 2015-06-15 | 公開日 | 2016-06-01 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71 J.Mol.Recognit., 29, 2016
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7RMU
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![BU of 7rmu by Molmil](/molmil-images/mine/7rmu) | |
1LCY
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![BU of 1lcy by Molmil](/molmil-images/mine/1lcy) | Crystal Structure of the Mitochondrial Serine Protease HtrA2 | 分子名称: | HtrA2 serine protease | 著者 | Li, W, Srinivasula, S.M, Chai, J, Li, P, Wu, J.W, Zhang, Z, Alnemri, E.S, Shi, Y. | 登録日 | 2002-04-07 | 公開日 | 2002-05-22 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural insights into the pro-apoptotic function of mitochondrial serine protease HtrA2/Omi. Nat.Struct.Biol., 9, 2002
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5GMR
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![BU of 5gmr by Molmil](/molmil-images/mine/5gmr) | |
5JLY
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![BU of 5jly by Molmil](/molmil-images/mine/5jly) | Structure of Peroxiredoxin-1 from Schistosoma japonicum | 分子名称: | Thioredoxin peroxidase-1 | 著者 | Wu, Q, Huang, F, Zeng, D, Liu, X, Zhao, J, Wang, H, Peng, Y, Li, P, Li, Y. | 登録日 | 2016-04-27 | 公開日 | 2017-05-03 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.051 Å) | 主引用文献 | Crystal structure of Peroxiredoxin-1 from Schistosoma japonicum To Be Published
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5DP9
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![BU of 5dp9 by Molmil](/molmil-images/mine/5dp9) | Crystal Structure of EV71 3C Proteinase in complex with compound 9 | 分子名称: | 3C proteinase, ethyl (2Z,4S)-4-[(N-{[(cyclobutylmethyl)amino](oxo)acetyl}-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | 著者 | Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T. | 登録日 | 2015-09-12 | 公開日 | 2016-03-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71 Biochim.Biophys.Acta, 1860, 2016
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5DP8
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![BU of 5dp8 by Molmil](/molmil-images/mine/5dp8) | Crystal Structure of EV71 3C Proteinase in complex with compound 8 | 分子名称: | 3C proteinase, ethyl (2Z,4S)-4-[(N-{[(2-cyclopropylethyl)amino](oxo)acetyl}-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | 著者 | Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T. | 登録日 | 2015-09-12 | 公開日 | 2016-03-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71 Biochim.Biophys.Acta, 1860, 2016
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5DPA
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![BU of 5dpa by Molmil](/molmil-images/mine/5dpa) | Crystal Structure of EV71 3C Proteinase in complex with compound 6 | 分子名称: | 3C proteinase, ethyl (2Z,4S)-4-[(N-acetyl-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | 著者 | Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T. | 登録日 | 2015-09-12 | 公開日 | 2016-03-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71 Biochim.Biophys.Acta, 1860, 2016
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5DP5
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![BU of 5dp5 by Molmil](/molmil-images/mine/5dp5) | Crystal Structure of EV71 3C Proteinase in complex with compound 4 | 分子名称: | 3C proteinase, ethyl (2Z,4S)-4-{[(2R,5S)-5-amino-2-(4-fluorobenzyl)-6-methyl-4-oxoheptanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | 著者 | Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T. | 登録日 | 2015-09-12 | 公開日 | 2016-03-30 | 最終更新日 | 2016-04-06 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71 Biochim.Biophys.Acta, 1860, 2016
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5DP7
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![BU of 5dp7 by Molmil](/molmil-images/mine/5dp7) | Crystal Structure of EV71 3C Proteinase in complex with compound 5 | 分子名称: | 3C proteinase, ethyl (2Z,4S)-4-{[N-(3-methylbutanoyl)-L-phenylalanyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | 著者 | Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T. | 登録日 | 2015-09-12 | 公開日 | 2016-03-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71 Biochim.Biophys.Acta, 1860, 2016
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5DP3
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![BU of 5dp3 by Molmil](/molmil-images/mine/5dp3) | Crystal Structure of EV71 3C Proteinase in complex with compound 2 | 分子名称: | 3C proteinase, ethyl (4S)-5-[(3S)-2-oxopyrrolidin-3-yl]-4-[(3-phenylpropanoyl)amino]pent-2-enoate | 著者 | Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T. | 登録日 | 2015-09-12 | 公開日 | 2016-03-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71 Biochim.Biophys.Acta, 1860, 2016
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6V42
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![BU of 6v42 by Molmil](/molmil-images/mine/6v42) | |
6V43
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![BU of 6v43 by Molmil](/molmil-images/mine/6v43) | Crystal structure of the flavin oxygenase with cofactor and substrate bound involved in folate catabolism | 分子名称: | FAD/FMN-containing dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, pteridine-2,4(1H,3H)-dione | 著者 | Begley, T.P, Adak, S, Zhao, B, Li, P. | 登録日 | 2019-11-27 | 公開日 | 2020-12-09 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | A novel flavoenzyme catalyzed Baeyer-Villiger type rearrangement in bacterial folic acid catabolic pathway To Be Published
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5GMS
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5DP6
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![BU of 5dp6 by Molmil](/molmil-images/mine/5dp6) | Crystal Structure of EV71 3C Proteinase in complex with compound 7 | 分子名称: | 3C proteinase, ethyl (2Z,4S)-4-{[N-(3-cyclopropylpropanoyl)-L-phenylalanyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | 著者 | Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T. | 登録日 | 2015-09-12 | 公開日 | 2016-03-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.01 Å) | 主引用文献 | Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71 Biochim.Biophys.Acta, 1860, 2016
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8K9U
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![BU of 8k9u by Molmil](/molmil-images/mine/8k9u) | Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 2 (ADKI2) | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, LYSINE, Lysine--tRNA ligase, ... | 著者 | Zhou, J, Xia, M, Yang, G, Li, P, Fang, P. | 登録日 | 2023-08-01 | 公開日 | 2024-06-26 | 最終更新日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | 主引用文献 | Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors. Commun Biol, 7, 2024
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8K9W
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![BU of 8k9w by Molmil](/molmil-images/mine/8k9w) | Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 4 (ADKI4) | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Lysine--tRNA ligase, ~{N}2-(2-methoxyphenyl)-~{N}4-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine | 著者 | Zhou, J, Xia, M, Yang, G, Li, P, Fang, P. | 登録日 | 2023-08-01 | 公開日 | 2024-06-26 | 最終更新日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors. Commun Biol, 7, 2024
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8K9V
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![BU of 8k9v by Molmil](/molmil-images/mine/8k9v) | Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 3 (ADKI3) | 分子名称: | GLYCEROL, LYSINE, Lysine--tRNA ligase, ... | 著者 | Zhou, J, Xia, M, Yang, G, Li, P, Fang, P. | 登録日 | 2023-08-01 | 公開日 | 2024-06-26 | 最終更新日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors. Commun Biol, 7, 2024
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8K9S
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![BU of 8k9s by Molmil](/molmil-images/mine/8k9s) | Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 1 (ADKI1) | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, LYSINE, Lysine--tRNA ligase, ... | 著者 | Zhou, J, Xia, M, Yang, G, Li, P, Fang, P. | 登録日 | 2023-08-01 | 公開日 | 2024-06-26 | 最終更新日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors. Commun Biol, 7, 2024
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