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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3DEH
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![BU of 3deh by Molmil](/molmil-images/mine/3deh) | Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors | 分子名称: | Caspase-3, isoquinoline-1,3,4(2H)-trione | 著者 | Wu, J, Du, J, Li, J, Ding, J. | 登録日 | 2008-06-10 | 公開日 | 2008-09-02 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Isoquinoline-1,3,4-trione Derivatives Inactivate Caspase-3 by Generation of Reactive Oxygen Species J.Biol.Chem., 283, 2008
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6LKA
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![BU of 6lka by Molmil](/molmil-images/mine/6lka) | Crystal Structure of EV71-3C protease with a Novel Macrocyclic Compounds | 分子名称: | 3C proteinase, ~{N}-[(2~{S})-1-[[(2~{S},3~{S},6~{S},7~{Z},12~{E})-4,9-bis(oxidanylidene)-6-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]-2-phenyl-1,10-dioxa-5-azacyclopentadeca-7,12-dien-3-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide | 著者 | Li, P, Wu, S.Q, Xiao, T.Y.C, Li, Y.L, Su, Z.M, Hao, F, Hu, G.P, Hu, J, Lin, F.S, Chen, X.S, Gu, Z.X, He, H.Y, Li, J, Chen, S.H. | 登録日 | 2019-12-18 | 公開日 | 2020-06-17 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.033 Å) | 主引用文献 | Design, synthesis, and evaluation of a novel macrocyclic anti-EV71 agent. Bioorg.Med.Chem., 28, 2020
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6LR6
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![BU of 6lr6 by Molmil](/molmil-images/mine/6lr6) | The crystal structure of human cytoplasmic LRS | 分子名称: | 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, 5'-O-(L-leucylsulfamoyl)adenosine, Leucine--tRNA ligase, ... | 著者 | Liu, R.J, Long, T, Li, H, Li, J, Zhao, J.H, Lin, J.Z, Palencia, A, Wang, M.Z, Cusack, S, Wang, E.D. | 登録日 | 2020-01-15 | 公開日 | 2020-03-25 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.009 Å) | 主引用文献 | Molecular basis of the multifaceted functions of human leucyl-tRNA synthetase in protein synthesis and beyond. Nucleic Acids Res., 48, 2020
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3DEJ
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![BU of 3dej by Molmil](/molmil-images/mine/3dej) | Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors | 分子名称: | (1S)-1-(3-chlorophenyl)-2-oxo-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate, Caspase-3 | 著者 | Wu, J, Du, J, Li, J, Ding, J. | 登録日 | 2008-06-10 | 公開日 | 2008-09-02 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Isoquinoline-1,3,4-trione Derivatives Inactivate Caspase-3 by Generation of Reactive Oxygen Species J.Biol.Chem., 283, 2008
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3DEK
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![BU of 3dek by Molmil](/molmil-images/mine/3dek) | Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors | 分子名称: | Caspase-3, N-[3-(2-fluoroethoxy)phenyl]-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide | 著者 | Wu, J, Du, J, Li, J, Ding, J. | 登録日 | 2008-06-10 | 公開日 | 2008-09-02 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Isoquinoline-1,3,4-trione Derivatives Inactivate Caspase-3 by Generation of Reactive Oxygen Species J.Biol.Chem., 283, 2008
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3J9B
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![BU of 3j9b by Molmil](/molmil-images/mine/3j9b) | Electron cryo-microscopy of an RNA polymerase | 分子名称: | Polymerase, Polymerase basic protein 2, RNA (5'-R(*UP*UP*UP*UP*UP*A)-3'), ... | 著者 | Chang, S.H, Sun, D.P, Liang, H.H, Wang, J, Li, J, Guo, L, Wang, X.L, Guan, C.C, Boruah, B.M, Yuan, L.M, Feng, F, Yang, M.R, Wojdyla, J, Wang, J.W, Wang, M.T, Wang, H.W, Liu, Y.F. | 登録日 | 2014-12-16 | 公開日 | 2015-02-18 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | 主引用文献 | Cryo-EM Structure of Influenza Virus RNA Polymerase Complex at 4.3 angstrom Resolution. Mol.Cell, 2015
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3DEI
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![BU of 3dei by Molmil](/molmil-images/mine/3dei) | Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors | 分子名称: | (1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate, Caspase-3 | 著者 | Wu, J, Du, J, Li, J, Ding, J. | 登録日 | 2008-06-10 | 公開日 | 2008-09-02 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Isoquinoline-1,3,4-trione Derivatives Inactivate Caspase-3 by Generation of Reactive Oxygen Species J.Biol.Chem., 283, 2008
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6PET
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![BU of 6pet by Molmil](/molmil-images/mine/6pet) | Crystal structure of 8-hydroxychromene compound 30 bound to estrogen receptor alpha | 分子名称: | (2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-8-ol, (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, CHLORIDE ION, ... | 著者 | Kiefer, J.R, Vinogradova, M, Liang, J, Wang, X, Zbieg, J, Labadie, S.S, Zhang, B, Li, J, Liang, W. | 登録日 | 2019-06-20 | 公開日 | 2019-07-17 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.203 Å) | 主引用文献 | Discovery of a C-8 hydroxychromene as a potent degrader of estrogen receptor alpha with improved rat oral exposure over GDC-0927. Bioorg.Med.Chem.Lett., 29, 2019
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1X7Z
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![BU of 1x7z by Molmil](/molmil-images/mine/1x7z) | Crystal structure of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase | 分子名称: | 2-oxoisovalerate dehydrogenase alpha subunit, 2-oxoisovalerate dehydrogenase beta subunit, CHLORIDE ION, ... | 著者 | Wynn, R.M, Kato, M, Machius, M, Chuang, J.L, Li, J, Tomchick, D.R, Chuang, D.T. | 登録日 | 2004-08-16 | 公開日 | 2004-11-23 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Molecular mechanism for regulation of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase complex by phosphorylation Structure, 12, 2004
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1X7Y
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![BU of 1x7y by Molmil](/molmil-images/mine/1x7y) | Crystal structure of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase | 分子名称: | 2-oxoisovalerate dehydrogenase alpha subunit, 2-oxoisovalerate dehydrogenase beta subunit, CHLORIDE ION, ... | 著者 | Wynn, R.M, Kato, M, Machius, M, Chuang, J.L, Li, J, Tomchick, D.R, Chuang, D.T. | 登録日 | 2004-08-16 | 公開日 | 2004-11-23 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Molecular mechanism for regulation of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase complex by phosphorylation Structure, 12, 2004
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1X80
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![BU of 1x80 by Molmil](/molmil-images/mine/1x80) | Crystal structure of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase | 分子名称: | 2-oxoisovalerate dehydrogenase alpha subunit, 2-oxoisovalerate dehydrogenase beta subunit, CHLORIDE ION, ... | 著者 | Wynn, R.M, Kato, M, Machius, M, Chuang, J.L, Li, J, Tomchick, D.R, Chuang, D.T. | 登録日 | 2004-08-16 | 公開日 | 2004-11-23 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Molecular mechanism for regulation of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase complex by phosphorylation Structure, 12, 2004
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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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6MS7
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![BU of 6ms7 by Molmil](/molmil-images/mine/6ms7) | Peroxisome proliferator-activated receptor gamma ligand binding domain in complex with a novel selective PPAR-gamma modulator VSP-77 | 分子名称: | PGC1 LXXLL motif, Peroxisome proliferator-activated receptor gamma, {[(1S)-1-(4-chlorophenyl)octyl]oxy}acetic acid | 著者 | Yi, W, Jiang, H, Zhou, X.E, Shi, J, Zhao, G, Zhang, X, Sun, Y, Suino-Powell, K, Li, J, Li, J, Melcher, K, Xu, H.E. | 登録日 | 2018-10-16 | 公開日 | 2019-10-23 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Identification and structural insight of an effective PPAR gamma modulator with improved therapeutic index for anti-diabetic drug discovery. Chem Sci, 11, 2020
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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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8HUX
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![BU of 8hux by Molmil](/molmil-images/mine/8hux) | Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with S217622 | 分子名称: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | 著者 | Li, W.W, Zhang, J, Li, J. | 登録日 | 2022-12-24 | 公開日 | 2023-06-21 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Structural basis for the inhibition of coronaviral main proteases by ensitrelvir. Structure, 31, 2023
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1X7W
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![BU of 1x7w by Molmil](/molmil-images/mine/1x7w) | Crystal structure of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase | 分子名称: | 2-oxoisovalerate dehydrogenase alpha subunit, 2-oxoisovalerate dehydrogenase beta subunit, CHLORIDE ION, ... | 著者 | Wynn, R.M, Kato, M, Machius, M, Chuang, J.L, Li, J, Tomchick, D.R, Chuang, D.T. | 登録日 | 2004-08-16 | 公開日 | 2004-11-23 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Molecular mechanism for regulation of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase complex by phosphorylation Structure, 12, 2004
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4I4Z
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![BU of 4i4z by Molmil](/molmil-images/mine/4i4z) | Synechocystis sp. PCC 6803 1,4-dihydroxy-2-naphthoyl-coenzyme A synthase (MenB) in complex with salicylyl-CoA | 分子名称: | BICARBONATE ION, MALONATE ION, Naphthoate synthase, ... | 著者 | Song, H.G, Sun, Y.R, Li, J, Li, Y, Jiang, M, Zhou, J.H, Guo, Z.H. | 登録日 | 2012-11-28 | 公開日 | 2013-05-08 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural basis of the induced-fit mechanism of 1,4-dihydroxy-2-naphthoyl coenzyme a synthase from the crotonase fold superfamily Plos One, 8, 2013
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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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1X7X
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![BU of 1x7x by Molmil](/molmil-images/mine/1x7x) | Crystal structure of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase | 分子名称: | 2-oxoisovalerate dehydrogenase alpha subunit, 2-oxoisovalerate dehydrogenase beta subunit, CHLORIDE ION, ... | 著者 | Wynn, R.M, Kato, M, Machius, M, Chuang, J.L, Li, J, Tomchick, D.R, Chuang, D.T. | 登録日 | 2004-08-16 | 公開日 | 2004-11-23 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Molecular mechanism for regulation of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase complex by phosphorylation Structure, 12, 2004
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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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4I52
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![BU of 4i52 by Molmil](/molmil-images/mine/4i52) | scMenB im complex with 1-hydroxy-2-naphthoyl-CoA | 分子名称: | 1-hydroxy-2-naphthoyl-CoA, CHLORIDE ION, Naphthoate synthase | 著者 | Song, H.G, Sun, Y.R, Li, J, Li, Y, Jiang, M, Zhou, J.H, Guo, Z.H. | 登録日 | 2012-11-28 | 公開日 | 2013-05-08 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structural basis of the induced-fit mechanism of 1,4-dihydroxy-2-naphthoyl coenzyme a synthase from the crotonase fold superfamily Plos One, 8, 2013
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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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