8UQ6
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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 | 最終更新日 | 2024-08-28 | 実験手法 | ELECTRON MICROSCOPY (3.03 Å) | 主引用文献 | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry. Cell, 187, 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 | 最終更新日 | 2024-08-28 | 実験手法 | ELECTRON MICROSCOPY (3.09 Å) | 主引用文献 | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry. Cell, 187, 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 | 最終更新日 | 2024-08-28 | 実験手法 | ELECTRON MICROSCOPY (3.01 Å) | 主引用文献 | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry. Cell, 187, 2024
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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 | 最終更新日 | 2024-08-28 | 実験手法 | ELECTRON MICROSCOPY (3.26 Å) | 主引用文献 | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry. Cell, 187, 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 | 最終更新日 | 2024-08-28 | 実験手法 | ELECTRON MICROSCOPY (3.19 Å) | 主引用文献 | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry. Cell, 187, 2024
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8Y7Y
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![BU of 8y7y by Molmil](/molmil-images/mine/8y7y) | Local structure of HCoV-HKU1A 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, Liu, X, Sun, L, Yang, H.T. | 登録日 | 2024-02-05 | 公開日 | 2024-07-17 | 最終更新日 | 2024-08-28 | 実験手法 | ELECTRON MICROSCOPY (3.24 Å) | 主引用文献 | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry. Cell, 187, 2024
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7VM4
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![BU of 7vm4 by Molmil](/molmil-images/mine/7vm4) | Crystal structure of uPA in complex with nafamostat | 分子名称: | 4-carbamimidamidobenzoic acid, TRIETHYLENE GLYCOL, Urokinase-type plasminogen activator | 著者 | Jiang, L.G, Huang, M.D. | 登録日 | 2021-10-07 | 公開日 | 2022-10-12 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Structural study of the uPA-nafamostat complex reveals a covalent inhibitory mechanism of nafamostat. Biophys.J., 121, 2022
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7WHU
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![BU of 7whu by Molmil](/molmil-images/mine/7whu) | Human Neutrophil Elastase in-complex with Ecotin Peptide | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ecotin Peptide, ... | 著者 | Shankar, S, Jayaraman, S. | 登録日 | 2021-12-31 | 公開日 | 2022-07-06 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | 主引用文献 | Sequence preference and scaffolding requirement for the inhibition of human neutrophil elastase by ecotin peptide Protein Sci., 31, 2022
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7VM5
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7VM6
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7XYD
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![BU of 7xyd by Molmil](/molmil-images/mine/7xyd) | Crystal structure of TMPRSS2 in complex with Nafamostat | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, CALCIUM ION, ... | 著者 | Wang, H, Liu, X, Duan, Y, Liu, X, Sun, L, Yang, H. | 登録日 | 2022-06-01 | 公開日 | 2023-12-06 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
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7Y0F
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![BU of 7y0f by Molmil](/molmil-images/mine/7y0f) | Crystal structure of TMPRSS2 in complex with UK-371804 | 分子名称: | 2-[(1-carbamimidamido-4-chloranyl-isoquinolin-7-yl)sulfonylamino]-2-methyl-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Wang, H, Duan, Y, Liu, X, Sun, L, Yang, H. | 登録日 | 2022-06-04 | 公開日 | 2023-12-06 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
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7Y0E
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![BU of 7y0e by Molmil](/molmil-images/mine/7y0e) | Crystal structure of TMPRSS2 in complex with Camostat | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, CALCIUM ION, ... | 著者 | Wang, H, Duan, Y, Liu, X, Sun, L, Yang, H. | 登録日 | 2022-06-04 | 公開日 | 2023-12-06 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
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6E69
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![BU of 6e69 by Molmil](/molmil-images/mine/6e69) | Ortho-substituted phenyl sulfonyl fluoride and fluorosulfate as potent elastase inhibitory fragments | 分子名称: | 2-(fluorosulfonyl)benzene-1-sulfonic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Wolan, D.W, Woehl, J.L, Kitamura, S. | 登録日 | 2018-07-24 | 公開日 | 2019-07-24 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | SuFEx-enabled, agnostic discovery of covalent inhibitors of human neutrophil elastase. Proc.Natl.Acad.Sci.USA, 116, 2019
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6EO9
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![BU of 6eo9 by Molmil](/molmil-images/mine/6eo9) | Crystal structure of thrombin in complex with a novel glucose-conjugated potent inhibitor | 分子名称: | DIMETHYL SULFOXIDE, Hirudin variant-2, N-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-{3-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy]propoxy}phenyl)-1-(propan-2-yl)piperidine-4-carboxamide, ... | 著者 | Belviso, B.D, Caliandro, R, Aresta, B.M, De Candia, M, Altomare, C.D. | 登録日 | 2017-10-09 | 公開日 | 2017-12-13 | 最終更新日 | 2019-10-16 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | How a beta-D-glucoside side chain enhances binding affinity to thrombin of inhibitors bearing 2-chlorothiophene as P1 moiety: crystallography, fragment deconstruction study, and evaluation of antithrombotic properties. J. Med. Chem., 57, 2014
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3JQO
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![BU of 3jqo by Molmil](/molmil-images/mine/3jqo) | Crystal structure of the outer membrane complex of a type IV secretion system | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, LAURYL DIMETHYLAMINE-N-OXIDE, TraF protein, ... | 著者 | Chandran, V, Fronzes, R, Duquerroy, S, Cronin, N, Navaza, J, Waksman, G. | 登録日 | 2009-09-07 | 公開日 | 2009-12-01 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure of the outer membrane complex of a type IV secretion system Nature, 462, 2009
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6EVV
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![BU of 6evv by Molmil](/molmil-images/mine/6evv) | X-ray structure of the complex between human alpha thrombin and NU172, a duplex/quadruplex 26-mer DNA aptamer, in the presence of potassium ions. | 分子名称: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Troisi, R, Russo Krauss, I, Sica, F. | 登録日 | 2017-11-02 | 公開日 | 2018-10-24 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Several structural motifs cooperate in determining the highly effective anti-thrombin activity of NU172 aptamer. Nucleic Acids Res., 46, 2018
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4THN
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![BU of 4thn by Molmil](/molmil-images/mine/4thn) | THE CRYSTAL STRUCTURE OF ALPHA-THROMBIN-HIRUNORM IV COMPLEX REVEALS A NOVEL SPECIFICITY SITE RECOGNITION MODE. | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN, HIRUNORM IV | 著者 | Lombardi, A, De Simone, G, Nastri, F, Galdiero, S, Della Morte, R, Staiano, N, Pedone, C, Bolognesi, M, Pavone, V. | 登録日 | 1998-09-18 | 公開日 | 1999-06-15 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The crystal structure of alpha-thrombin-hirunorm IV complex reveals a novel specificity site recognition mode. Protein Sci., 8, 1999
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6F5M
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![BU of 6f5m by Molmil](/molmil-images/mine/6f5m) | Crystal structure of highly glycosylated human leukocyte elastase in complex with a thiazolidinedione inhibitor | 分子名称: | 5-[[4-[[(2~{S})-4-methyl-1-oxidanylidene-1-[(2-propylphenyl)amino]pentan-2-yl]carbamoyl]phenyl]methyl]-2-oxidanylidene-1,3-thiazol-1-ium-4-olate, ACETATE ION, Neutrophil elastase, ... | 著者 | Hochscherf, J, Pietsch, M, Tieu, W, Kuan, K, Hautmann, S, Abell, A, Guetschow, M, Niefind, K. | 登録日 | 2017-12-01 | 公開日 | 2018-08-08 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Crystal structure of highly glycosylated human leukocyte elastase in complex with an S2' site binding inhibitor. Acta Crystallogr F Struct Biol Commun, 74, 2018
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6FJT
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6FTZ
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![BU of 6ftz by Molmil](/molmil-images/mine/6ftz) | COMPLEMENT FACTOR D COMPLEXED WITH COMPOUND 6 | 分子名称: | Complement factor D, ~{N}4-[3-(aminomethyl)phenyl]-1~{H}-indole-2,4-dicarboxamide | 著者 | Ostermann, N. | 登録日 | 2018-02-26 | 公開日 | 2018-06-06 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D. ACS Med Chem Lett, 9, 2018
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6FUH
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![BU of 6fuh by Molmil](/molmil-images/mine/6fuh) | Complement factor D in complex with the inhibitor (4-((3-(aminomethyl)phenyl)amino)quinazolin-2-yl)-L-valine | 分子名称: | (2~{S})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]-3-methyl-butanoic acid, Complement factor D | 著者 | Mac Sweeney, A, Ostermann, N, Vulpetti, A, Maibaum, J, Erbel, P, Lorthiois, E, Yoon, T, Randl, S, Ruedisser, S. | 登録日 | 2018-02-27 | 公開日 | 2018-06-06 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D. ACS Med Chem Lett, 9, 2018
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6GBW
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![BU of 6gbw by Molmil](/molmil-images/mine/6gbw) | Thrombin in complex with MI2100 ((S)-N-(2-(aminomethyl)-5-chlorobenzyl)-1-((benzylsulfonyl)-L-arginyl)pyrrolidine-2-carboxamide) | 分子名称: | (2~{S})-~{N}-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2~{S})-5-carbamimidamido-2-[(phenylmethyl)sulfonylamino]pentanoyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | 著者 | Sandner, A, Heine, A, Klebe, G. | 登録日 | 2018-04-16 | 公開日 | 2019-04-24 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding. J.Med.Chem., 62, 2019
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6FUI
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![BU of 6fui by Molmil](/molmil-images/mine/6fui) | Complement factor D in complex with the inhibitor 3-((3-((3-(aminomethyl)phenyl)amino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)phenol | 分子名称: | (1~{R},2~{S})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]cyclohexane-1-carboxylic acid, Complement factor D | 著者 | Mac Sweeney, A, Ostermann, N, Vulpetti, A, Maibaum, J, Erbel, P, Lorthiois, E, Yoon, T, Randl, S, Ruedisser, S. | 登録日 | 2018-02-27 | 公開日 | 2018-06-06 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D. ACS Med Chem Lett, 9, 2018
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