1BPS
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![BU of 1bps by Molmil](/molmil-images/mine/1bps) | MINOR CONFORMER OF A BENZO[A]PYRENE DIOL EPOXIDE ADDUCT OF DA IN DUPLEX DNA | 分子名称: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, DNA (5'-D(*CP*TP*CP*GP*GP*GP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*CP*(BAP)AP*CP*GP*AP*G)-3') | 著者 | Schwartz, J.S, Rice, J.S, Luxon, B.A, Sayer, J.M, Xie, G, Yeh, H.J.C, Liu, X, Jerina, D.M, Gorenstein, D.G. | 登録日 | 1998-08-06 | 公開日 | 1998-08-19 | 最終更新日 | 2023-12-27 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of the minor conformer of a DNA duplex containing a dG mismatch opposite a benzo[a]pyrene diol epoxide/dA adduct: glycosidic rotation from syn to anti at the modified deoxyadenosine. Biochemistry, 36, 1997
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6KY5
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![BU of 6ky5 by Molmil](/molmil-images/mine/6ky5) | Crystal structure of a hydrolase mutant | 分子名称: | PET hydrolase, SULFATE ION | 著者 | Cui, Y.L, Chen, Y.C, Liu, X.Y, Dong, S.J, Han, J, Xiang, H, Chen, Q, Liu, H.Y, Han, X, Liu, W.D, Tang, S.Y, Wu, B. | 登録日 | 2019-09-16 | 公開日 | 2020-09-23 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.631 Å) | 主引用文献 | Computational redesign of PETase for plasticbiodegradation by GRAPE strategy. Biorxiv, 2020
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8W1V
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![BU of 8w1v by Molmil](/molmil-images/mine/8w1v) | The beta2 adrenergic receptor bound to a bitopic ligand | 分子名称: | (2S)-1-[(3-{1-[4-(4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)butyl]-1H-1,2,3-triazol-4-yl}propyl)amino]-3-(2-propylphenoxy)propan-2-ol, Beta-2 adrenergic receptor,Endolysin, Lauryl Maltose Neopentyl Glycol, ... | 著者 | Gaiser, B, Danielsen, M, Xu, X, Jorgensen, K, Fronik, P, Marcher-Rorsted, E, Wrobe, T, Hirata, K, Liu, X, Mathiesen, J, Pedersen, D. | 登録日 | 2024-02-19 | 公開日 | 2024-07-17 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Bitopic Ligands Support the Presence of a Metastable Binding Site at the beta 2 Adrenergic Receptor. J.Med.Chem., 67, 2024
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7YMJ
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![BU of 7ymj by Molmil](/molmil-images/mine/7ymj) | Cryo-EM structure of alpha1AAR-Nb6 complex bound to tamsulosin | 分子名称: | Nb6, Tamsulosin, alpha1A-adrenergic receptor | 著者 | Toyoda, Y, Zhu, A, Yan, C, Kobilka, B.K, Liu, X. | 登録日 | 2022-07-28 | 公開日 | 2023-07-05 | 実験手法 | ELECTRON MICROSCOPY (3.35 Å) | 主引用文献 | Structural basis of alpha 1A -adrenergic receptor activation and recognition by an extracellular nanobody. Nat Commun, 14, 2023
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7YMH
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![BU of 7ymh by Molmil](/molmil-images/mine/7ymh) | Cryo-EM structure of Nb29-alpha1AAR-miniGsq complex bound to noradrenaline | 分子名称: | Nb29, Noradrenaline, alpha1A-adrenergic receptor, ... | 著者 | Toyoda, Y, Zhu, A, Yan, C, Kobilka, B.K, Liu, X. | 登録日 | 2022-07-28 | 公開日 | 2023-07-05 | 実験手法 | ELECTRON MICROSCOPY (3.52 Å) | 主引用文献 | Structural basis of alpha 1A -adrenergic receptor activation and recognition by an extracellular nanobody. Nat Commun, 14, 2023
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7YM8
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![BU of 7ym8 by Molmil](/molmil-images/mine/7ym8) | Cryo-EM structure of Nb29-alpha1AAR-miniGsq complex bound to oxymetazoline | 分子名称: | CHOLESTEROL HEMISUCCINATE, Oxymetazoline, alpha1A adrenergic receptor, ... | 著者 | Toyoda, Y, Zhu, A, Yan, C, Kobilka, B.K, Liu, X. | 登録日 | 2022-07-27 | 公開日 | 2023-07-05 | 実験手法 | ELECTRON MICROSCOPY (2.92 Å) | 主引用文献 | Structural basis of alpha 1A -adrenergic receptor activation and recognition by an extracellular nanobody. Nat Commun, 14, 2023
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6M0K
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![BU of 6m0k by Molmil](/molmil-images/mine/6m0k) | The crystal structure of COVID-19 main protease in complex with an inhibitor 11b | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(2~{S})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | 著者 | Zhang, B, Zhao, Y, Jin, Z, Liu, X, Yang, H, Liu, H, Rao, Z, Jiang, H. | 登録日 | 2020-02-22 | 公開日 | 2020-04-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.504 Å) | 主引用文献 | Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease. Science, 368, 2020
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6LZE
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![BU of 6lze by Molmil](/molmil-images/mine/6lze) | The crystal structure of COVID-19 main protease in complex with an inhibitor 11a | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | 著者 | Zhang, B, Zhang, Y, Jing, Z, Liu, X, Yang, H, Liu, H, Rao, Z, Jiang, H. | 登録日 | 2020-02-19 | 公開日 | 2020-04-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.505 Å) | 主引用文献 | Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease. Science, 368, 2020
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7TD5
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![BU of 7td5 by Molmil](/molmil-images/mine/7td5) | Structure of human PRC2-EZH1 containing phosphorylated SUZ12 | 分子名称: | Histone-lysine N-methyltransferase EZH1, Polycomb protein EED, Polycomb protein SUZ12, ... | 著者 | Gong, L, Jiao, L, Liu, X. | 登録日 | 2021-12-30 | 公開日 | 2022-11-16 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.994 Å) | 主引用文献 | CK2-mediated phosphorylation of SUZ12 promotes PRC2 function by stabilizing enzyme active site. Nat Commun, 13, 2022
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3DP1
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![BU of 3dp1 by Molmil](/molmil-images/mine/3dp1) | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3n | 分子名称: | (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, BENZAMIDINE, CHLORIDE ION, ... | 著者 | Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H. | 登録日 | 2008-07-07 | 公開日 | 2009-05-05 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination. J.Med.Chem., 52, 2009
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3DP0
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![BU of 3dp0 by Molmil](/molmil-images/mine/3dp0) | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3m | 分子名称: | (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, BENZAMIDINE, CHLORIDE ION, ... | 著者 | Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H. | 登録日 | 2008-07-07 | 公開日 | 2009-05-05 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination. J.Med.Chem., 52, 2009
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3DP2
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![BU of 3dp2 by Molmil](/molmil-images/mine/3dp2) | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3j | 分子名称: | (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 4-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide, BENZAMIDINE, ... | 著者 | Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H. | 登録日 | 2008-07-07 | 公開日 | 2009-05-05 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination. J.Med.Chem., 52, 2009
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3DOZ
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![BU of 3doz by Molmil](/molmil-images/mine/3doz) | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3k | 分子名称: | (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 3-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide, BENZAMIDINE, ... | 著者 | Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H. | 登録日 | 2008-07-07 | 公開日 | 2009-05-05 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination. J.Med.Chem., 52, 2009
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3DOY
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![BU of 3doy by Molmil](/molmil-images/mine/3doy) | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3i | 分子名称: | (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 4-chloro-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide, BENZAMIDINE, ... | 著者 | Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H. | 登録日 | 2008-07-07 | 公開日 | 2009-05-05 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination. J.Med.Chem., 52, 2009
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3DP3
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![BU of 3dp3 by Molmil](/molmil-images/mine/3dp3) | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3q | 分子名称: | (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 4-tert-butyl-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide, BENZAMIDINE, ... | 著者 | Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H. | 登録日 | 2008-07-07 | 公開日 | 2009-05-05 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination. J.Med.Chem., 52, 2009
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6K51
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![BU of 6k51 by Molmil](/molmil-images/mine/6k51) | |
8Y87
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![BU of 8y87 by Molmil](/molmil-images/mine/8y87) | Structure of HCoV-HKU1C spike in the functionally anchored-1up conformation with 1TMPRSS2 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | 著者 | Lu, Y.C, Zhang, X, Wang, H.F, Liu, X.C, Sun, L, Yang, H.T. | 登録日 | 2024-02-06 | 公開日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (3.26 Å) | 主引用文献 | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry. Cell, 2024
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8Y89
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![BU of 8y89 by Molmil](/molmil-images/mine/8y89) | Structure of HCoV-HKU1C spike in the functionally anchored-3up conformation with 2TMPRSS2 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | 著者 | Lu, Y.C, Wang, H.F, Zhang, X, Liu, X.C, Sun, L, Yang, H.T. | 登録日 | 2024-02-06 | 公開日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (3.32 Å) | 主引用文献 | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry. Cell, 2024
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8Y88
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![BU of 8y88 by Molmil](/molmil-images/mine/8y88) | Structure of HCoV-HKU1C spike in the functionally anchored-2up conformation with 2TMPRSS2 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | 著者 | Lu, Y.C, Zhang, X, Wang, H.F, Liu, X.C, Sun, L, Yang, H.T. | 登録日 | 2024-02-06 | 公開日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (3.03 Å) | 主引用文献 | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry. Cell, 2024
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8Y8B
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![BU of 8y8b by Molmil](/molmil-images/mine/8y8b) | Local structure of HCoV-HKU1C spike in complex with TMPRSS2 and glycan | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | 著者 | Wang, H.F, Zhang, X, Lu, Y.C, Liu, X.C, Sun, L, Yang, H.T. | 登録日 | 2024-02-06 | 公開日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (3.01 Å) | 主引用文献 | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry. Cell, 2024
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8Y8A
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![BU of 8y8a by Molmil](/molmil-images/mine/8y8a) | Structure of HCoV-HKU1C spike in the functionally anchored-3up conformation with 3TMPRSS2 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | 著者 | Lu, Y.C, Zhang, X, Wang, H.F, Liu, X.C, Sun, L, Yang, H.T. | 登録日 | 2024-02-06 | 公開日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (3.19 Å) | 主引用文献 | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry. Cell, 2024
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8Y7X
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![BU of 8y7x by Molmil](/molmil-images/mine/8y7x) | Structure of HCoV-HKU1A spike in the functionally anchored-3up conformation with 3TMPRSS2 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | 著者 | Lu, Y.C, Zhang, X, Wang, H.F, Liu, X.C, Sun, L, Yang, H.T. | 登録日 | 2024-02-05 | 公開日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (3.09 Å) | 主引用文献 | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry. Cell, 2024
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6K50
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![BU of 6k50 by Molmil](/molmil-images/mine/6k50) | |
1SN4
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![BU of 1sn4 by Molmil](/molmil-images/mine/1sn4) | STRUCTURE OF SCORPION NEUROTOXIN BMK M4 | 分子名称: | ACETATE ION, PROTEIN (NEUROTOXIN BMK M4) | 著者 | He, X.L, Li, H.M, Liu, X.Q, Zeng, Z.H, Wang, D.C. | 登録日 | 1998-11-11 | 公開日 | 1999-11-17 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Crystal structures of two alpha-like scorpion toxins: non-proline cis peptide bonds and implications for new binding site selectivity on the sodium channel. J.Mol.Biol., 292, 1999
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7YOQ
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![BU of 7yoq by Molmil](/molmil-images/mine/7yoq) | |