7ANS
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![BU of 7ans by Molmil](/molmil-images/mine/7ans) | Structure of SARS-CoV-2 Main Protease bound to Adrafinil. | 分子名称: | 2-[(diphenylmethyl)-oxidanyl-$l^{3}-sulfanyl]-~{N}-oxidanyl-ethanamide, 3C-like proteinase, DIMETHYL SULFOXIDE | 著者 | Ewert, W, Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | 登録日 | 2020-10-12 | 公開日 | 2020-12-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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7AVD
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![BU of 7avd by Molmil](/molmil-images/mine/7avd) | Structure of SARS-CoV-2 Main Protease bound to SEN1269 ligand | 分子名称: | 3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol, 3C-like proteinase, CHLORIDE ION | 著者 | Koua, F, Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Ewert, W, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | 登録日 | 2020-11-05 | 公開日 | 2020-12-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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7AWU
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![BU of 7awu by Molmil](/molmil-images/mine/7awu) | Structure of SARS-CoV-2 Main Protease bound to LSN2463359. | 分子名称: | 3C-like proteinase, CHLORIDE ION, ~{N}-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide | 著者 | Ewert, W, Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | 登録日 | 2020-11-09 | 公開日 | 2020-12-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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7AQJ
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![BU of 7aqj by Molmil](/molmil-images/mine/7aqj) | Structure of SARS-CoV-2 Main Protease bound to Triglycidyl isocyanurate. | 分子名称: | 1-[(2~{R})-2-oxidanylpropyl]-3-[[(2~{R})-oxiran-2-yl]methyl]-5-[[(2~{S})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione, 3C-like proteinase, Triglycidyl isocyanurate | 著者 | Ewert, W, Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | 登録日 | 2020-10-22 | 公開日 | 2020-12-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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7AOL
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![BU of 7aol by Molmil](/molmil-images/mine/7aol) | Structure of SARS-CoV-2 Main Protease bound to Climbazole | 分子名称: | (1~{S})-1-(4-chloranylphenoxy)-1-imidazol-1-yl-3,3-dimethyl-butan-2-one, 3C-like proteinase, DIMETHYL SULFOXIDE, ... | 著者 | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | 登録日 | 2020-10-14 | 公開日 | 2020-12-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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6GTH
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![BU of 6gth by Molmil](/molmil-images/mine/6gth) | Serial Femtosecond Crystallography at Megahertz pulse rates | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | 著者 | Wiedorn, M, Oberthuer, D, Werner, N, Schubert, R, White, T.A, Mancuso, A, Perbandt, M, Betzel, C, Barty, A, Chapman, H. | 登録日 | 2018-06-18 | 公開日 | 2018-10-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Megahertz serial crystallography. Nat Commun, 9, 2018
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2WCD
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![BU of 2wcd by Molmil](/molmil-images/mine/2wcd) | Crystal structure of the assembled cytolysin A pore | 分子名称: | ETHYL MERCURY ION, HEMOLYSIN E, CHROMOSOMAL | 著者 | Mueller, M, Grauschopf, U, Maier, T, Glockshuber, R, Ban, N. | 登録日 | 2009-03-11 | 公開日 | 2009-05-05 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3.29 Å) | 主引用文献 | The Structure of a Cytolytic Alpha-Helical Toxin Pore Reveals its Assembly Mechanism Nature, 459, 2009
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6SYM
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![BU of 6sym by Molmil](/molmil-images/mine/6sym) | |
8PSV
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![BU of 8psv by Molmil](/molmil-images/mine/8psv) | 2.7 A cryo-EM structure of in vitro assembled type 1 pilus rod | 分子名称: | Type-1 fimbrial protein, A chain | 著者 | Hospenthal, M, Zyla, D, Glockshuber, R, Waksman, G. | 登録日 | 2023-07-13 | 公開日 | 2024-04-10 | 最終更新日 | 2024-04-17 | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | 主引用文献 | The assembly platform FimD is required to obtain the most stable quaternary structure of type 1 pili. Nat Commun, 15, 2024
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8PTU
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![BU of 8ptu by Molmil](/molmil-images/mine/8ptu) | 2.5 A cryo-EM structure of the in vitro FimD-catalyzed assembly of type 1 pilus rod | 分子名称: | Type-1 fimbrial protein, A chain | 著者 | Zyla, D, Hospenthal, M, Glockshuber, R, Waksman, G. | 登録日 | 2023-07-14 | 公開日 | 2024-04-10 | 最終更新日 | 2024-04-17 | 実験手法 | ELECTRON MICROSCOPY (2.52 Å) | 主引用文献 | The assembly platform FimD is required to obtain the most stable quaternary structure of type 1 pili. Nat Commun, 15, 2024
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4TXV
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![BU of 4txv by Molmil](/molmil-images/mine/4txv) | Crystal structure of the mixed disulfide intermediate between thioredoxin-like TlpAs(C110S) and subunit II of cytochrome c oxidase CoxBPD (C233S) | 分子名称: | Cytochrome c oxidase subunit 2, Thiol:disulfide interchange protein TlpA | 著者 | Quade, N, Abicht, H.K, Hennecke, H, Glockshuber, R. | 登録日 | 2014-07-07 | 公開日 | 2014-10-01 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | How Periplasmic Thioredoxin TlpA Reduces Bacterial Copper Chaperone ScoI and Cytochrome Oxidase Subunit II (CoxB) Prior to Metallation. J.Biol.Chem., 289, 2014
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7OT4
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![BU of 7ot4 by Molmil](/molmil-images/mine/7ot4) | |
6GTX
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![BU of 6gtx by Molmil](/molmil-images/mine/6gtx) | Crystal structure of the FimH lectin domain from E.coli K12 in complex with the dimannoside Man(alpha1-2)Man | 分子名称: | SULFATE ION, Type 1 fimbrin D-mannose specific adhesin, alpha-D-mannopyranose-(1-2)-methyl alpha-D-mannopyranoside | 著者 | Jakob, R.P, Sauer, M.M, Luber, T, Canonica, F, Navarra, G, Ernst, B, Unverzagt, C, Maier, T, Glockshuber, R. | 登録日 | 2018-06-19 | 公開日 | 2019-01-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Binding of the Bacterial Adhesin FimH to Its Natural, Multivalent High-Mannose Type Glycan Targets. J.Am.Chem.Soc., 141, 2019
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6GTY
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![BU of 6gty by Molmil](/molmil-images/mine/6gty) | Crystal structure of the FimH lectin domain from E.coli K12 in complex with the dimannoside Man(alpha1-6)Man | 分子名称: | Type 1 fimbrin D-mannose specific adhesin, alpha-D-mannopyranose-(1-6)-methyl alpha-D-mannopyranoside | 著者 | Jakob, R.P, Sauer, M.M, Luber, T, Canonica, F, Navarra, G, Ernst, B, Unverzagt, C, Maier, T, Glockshuber, R. | 登録日 | 2018-06-19 | 公開日 | 2019-01-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Binding of the Bacterial Adhesin FimH to Its Natural, Multivalent High-Mannose Type Glycan Targets. J.Am.Chem.Soc., 141, 2019
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6GTW
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![BU of 6gtw by Molmil](/molmil-images/mine/6gtw) | Crystal structure of the FimH lectin domain from E.coli F18 in complex with trimannose | 分子名称: | CALCIUM ION, FimH protein, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose | 著者 | Jakob, R.P, Sauer, M.M, Luber, T, Canonica, F, Navarra, G, Ernst, B, Unverzagt, C, Maier, T, Glockshuber, R. | 登録日 | 2018-06-19 | 公開日 | 2019-01-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Binding of the Bacterial Adhesin FimH to Its Natural, Multivalent High-Mannose Type Glycan Targets. J.Am.Chem.Soc., 141, 2019
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6GTZ
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![BU of 6gtz by Molmil](/molmil-images/mine/6gtz) | Crystal structure of a FimH*DsG complex from E.coli F18 with bound dimannoside Man(alpha1-3)Man in space group P21 | 分子名称: | FimG protein, FimH protein, alpha-D-mannopyranose-(1-3)-methyl alpha-D-mannopyranoside | 著者 | Jakob, R.P, Sauer, M.M, Luber, T, Canonica, F, Navarra, G, Ernst, B, Unverzagt, C, Maier, T, Glockshuber, R. | 登録日 | 2018-06-19 | 公開日 | 2019-01-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.719 Å) | 主引用文献 | Binding of the Bacterial Adhesin FimH to Its Natural, Multivalent High-Mannose Type Glycan Targets. J.Am.Chem.Soc., 141, 2019
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6GTV
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![BU of 6gtv by Molmil](/molmil-images/mine/6gtv) | Crystal structure of a FimH*DsG complex from E.coli F18 with bound trimannose | 分子名称: | DI(HYDROXYETHYL)ETHER, FimG protein, FimH protein, ... | 著者 | Jakob, R.P, Sauer, M.M, Luber, T, Canonica, F, Navarra, G, Ernst, B, Unverzagt, C, Maier, T, Glockshuber, R. | 登録日 | 2018-06-19 | 公開日 | 2019-01-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Binding of the Bacterial Adhesin FimH to Its Natural, Multivalent High-Mannose Type Glycan Targets. J.Am.Chem.Soc., 141, 2019
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4XOB
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![BU of 4xob by Molmil](/molmil-images/mine/4xob) | Crystal structure of a FimH*DsF complex from E.coli K12 with bound heptyl alpha-D-mannopyrannoside | 分子名称: | FimF, Protein FimH, SULFATE ION, ... | 著者 | Jakob, R.P, Eras, J, Navarra, G, Ernst, B, Glockshuber, R, Maier, T. | 登録日 | 2015-01-16 | 公開日 | 2016-01-27 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.003 Å) | 主引用文献 | Catch-bond mechanism of the bacterial adhesin FimH. Nat Commun, 7, 2016
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6GU0
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![BU of 6gu0 by Molmil](/molmil-images/mine/6gu0) | Crystal structure of a FimH*DsG complex from E.coli F18 with bound dimannoside Man(alpha1-3)Man in space group P213 | 分子名称: | FimG protein, FimH protein, SULFATE ION, ... | 著者 | Jakob, R.P, Sauer, M.M, Luber, T, Canonica, F, Navarra, G, Ernst, B, Unverzagt, C, Maier, T, Glockshuber, R. | 登録日 | 2018-06-19 | 公開日 | 2019-01-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | 主引用文献 | Binding of the Bacterial Adhesin FimH to Its Natural, Multivalent High-Mannose Type Glycan Targets. J.Am.Chem.Soc., 141, 2019
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4XO8
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![BU of 4xo8 by Molmil](/molmil-images/mine/4xo8) | Crystal structure of the FimH lectin domain from E.coli K12 in complex with heptyl alpha-D-mannopyrannoside | 分子名称: | Protein FimH, heptyl alpha-D-mannopyranoside | 著者 | Jakob, R.P, Eras, J, Navarra, G, Ernst, B, Glockshuber, R, Maier, T. | 登録日 | 2015-01-16 | 公開日 | 2016-01-27 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.698 Å) | 主引用文献 | Catch-bond mechanism of the bacterial adhesin FimH. Nat Commun, 7, 2016
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4XOD
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![BU of 4xod by Molmil](/molmil-images/mine/4xod) | Crystal structure of a FimH*DsG complex from E.coli F18 | 分子名称: | FimG protein, FimH protein | 著者 | Jakob, R.P, Sauer, M.M, Glockshuber, R, Maier, T. | 登録日 | 2015-01-16 | 公開日 | 2016-01-27 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | 主引用文献 | Catch-bond mechanism of the bacterial adhesin FimH. Nat Commun, 7, 2016
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4XOC
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![BU of 4xoc by Molmil](/molmil-images/mine/4xoc) | Crystal structure of the FimH lectin domain from E.coli F18 in complex with heptyl alpha-D-mannopyrannoside | 分子名称: | FimH protein, heptyl alpha-D-mannopyranoside | 著者 | Jakob, R.P, Sauer, M.M, Navarra, G, Ernst, B, Glockshuber, R, Maier, T. | 登録日 | 2015-01-16 | 公開日 | 2016-01-27 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Catch-bond mechanism of the bacterial adhesin FimH. Nat Commun, 7, 2016
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4XOA
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![BU of 4xoa by Molmil](/molmil-images/mine/4xoa) | Crystal structure of a FimH*DsG complex from E.coli K12 in space group P1 | 分子名称: | FimG, Protein FimH | 著者 | Jakob, R.P, Eras, J, Glockshuber, R, Maier, T. | 登録日 | 2015-01-16 | 公開日 | 2016-01-27 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.541 Å) | 主引用文献 | Catch-bond mechanism of the bacterial adhesin FimH. Nat Commun, 7, 2016
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4XOE
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![BU of 4xoe by Molmil](/molmil-images/mine/4xoe) | Crystal structure of a FimH*DsG complex from E.coli F18 with bound heptyl alpha-D-mannopyrannoside | 分子名称: | CACODYLATE ION, FimG protein, FimH protein, ... | 著者 | Jakob, R.P, Sauer, M.M, Navarra, G, Ernst, B, Glockshuber, R, Maier, T. | 登録日 | 2015-01-16 | 公開日 | 2016-01-27 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Catch-bond mechanism of the bacterial adhesin FimH. Nat Commun, 7, 2016
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6YEV
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![BU of 6yev by Molmil](/molmil-images/mine/6yev) | |