7BAG
| C3b in complex with CP40 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETAMIDE, AMINO GROUP, ... | Authors: | Lamers, C, Xue, X, Smiesko, M, van Son, H, Wagner, B, Sfyroera, G, Gros, P, Lambris, J, Ricklin, D. | Deposit date: | 2020-12-15 | Release date: | 2022-01-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Insight into mode-of-action and structural determinants of the compstatin family of clinical complement inhibitors. Nat Commun, 13, 2022
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6G2S
| Crystal structure of FimH in complex with a pentaflourinated biphenyl alpha D-mannoside | Descriptor: | (2~{R},3~{S},4~{S},5~{S},6~{R})-2-(hydroxymethyl)-6-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]phenoxy]oxane-3,4,5-triol, SULFATE ION, Type 1 fimbrin D-mannose specific adhesin | Authors: | Jakob, R.P, Schoenemann, W, Cramer, J, Muehlethaler, T, Daetwyler, P, Zihlmann, P, Fiege, B, Sager, C.P, Smiesko, M, Rabbani, S, Eris, D, Schwardt, O, Maier, T, Ernst, B. | Deposit date: | 2018-03-23 | Release date: | 2019-03-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Improvement of Aglycone pi-Stacking Yields Nanomolar to Sub-nanomolar FimH Antagonists. Chemmedchem, 14, 2019
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6G2R
| Crystal structure of FimH in complex with a tetraflourinated biphenyl alpha D-mannoside | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]-2,3,5,6-tetrakis(fluoranyl)benzenecarbonitrile, SULFATE ION, ... | Authors: | Jakob, R.P, Schoenemann, W, Cramer, J, Muehlethaler, T, Daetwyler, P, Zihlmann, P, Fiege, B, Sager, C.P, Smiesko, M, Rabbani, S, Eris, D, Schwardt, O, Maier, T, Ernst, B. | Deposit date: | 2018-03-23 | Release date: | 2019-03-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Improvement of Aglycone pi-Stacking Yields Nanomolar to Sub-nanomolar FimH Antagonists. Chemmedchem, 14, 2019
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4CSS
| Crystal structure of FimH in complex with a sulfonamide biphenyl alpha D-mannoside | Descriptor: | 4'-(alpha-D-Mannopyranosyloxy)-biphenyl-4-methyl sulfonamide, GLYCEROL, PROTEIN FIMH | Authors: | Kleeb, S, Pang, L, Mayer, K, Sigl, A, Eris, D, Preston, R.C, Zihlmann, P, Abgottspon, D, Hutter, A, Scharenberg, M, Jian, X, Navarra, G, Rabbani, S, Smiesko, M, Luedin, N, Jakob, R.P, Schwardt, O, Maier, T, Sharpe, T, Ernst, B. | Deposit date: | 2014-03-10 | Release date: | 2015-02-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.069 Å) | Cite: | Fimh Antagonists: Bioisosteres to Improve the in Vitro and in Vivo Pk/Pd Profile. J.Med.Chem., 58, 2015
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4CST
| Crystal structure of FimH in complex with 3'-Chloro-4'-(alpha-D-mannopyranosyloxy)-biphenyl-4-carbonitrile | Descriptor: | 3'-chloro-4'-(alpha-D-mannopyranosyloxy)biphenyl-4-carbonitrile, PROTEIN FIMH | Authors: | Kleeb, S, Pang, L, Mayer, K, Sigl, A, Eris, D, Preston, R.C, Zihlmann, P, Abgottspon, D, Hutter, A, Scharenberg, M, Jian, X, Navarra, G, Rabbani, S, Smiesko, M, Luedin, N, Jakob, R.P, Schwardt, O, Maier, T, Sharpe, T, Ernst, B. | Deposit date: | 2014-03-10 | Release date: | 2015-02-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Fimh Antagonists: Bioisosteres to Improve the in Vitro and in Vivo Pk/Pd Profile. J.Med.Chem., 58, 2015
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2MK1
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4Z3G
| Crystal structure of the lectin domain of PapG from E. coli BI47 in complex with 4-methoxyphenyl beta-D-galabiose in space group P212121 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-methoxyphenol, PapG, ... | Authors: | Jakob, R.P, Navarra, G, Zihlmann, P, Stangier, K, Preston, R.C, Rabbani, S, Maier, T, Ernst, B. | Deposit date: | 2015-03-31 | Release date: | 2016-04-13 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Carbohydrate-Lectin Interactions: An Unexpected Contribution to Affinity. Chembiochem, 18, 2017
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4Z3F
| Crystal structure of the lectin domain of PapG from E. coli BI47 in complex with SSEA4 in space group P21 | Descriptor: | N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, PapG, lectin domain, ... | Authors: | Jakob, R.P, Navarra, G, Zihlmann, P, Stangier, K, Preston, R.C, Rabbani, S, Maier, T, Ernst, B. | Deposit date: | 2015-03-31 | Release date: | 2016-04-13 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Carbohydrate-Lectin Interactions: An Unexpected Contribution to Affinity. Chembiochem, 18, 2017
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4Z3J
| Crystal structure of the lectin domain of PapG from E. coli BI47 in space group P1 | Descriptor: | PapG, lectin domain | Authors: | Jakob, R.P, Navarra, G, Zihlmann, P, Stangier, K, Preston, R.C, Rabbani, S, Maier, T, Ernst, B. | Deposit date: | 2015-03-31 | Release date: | 2016-04-13 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Carbohydrate-Lectin Interactions: An Unexpected Contribution to Affinity. Chembiochem, 18, 2017
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4Z3I
| Crystal structure of the lectin domain of PapG from E. coli BI47 in spacegroup P21212 | Descriptor: | PapG, lectin domain | Authors: | Jakob, R.P, Navarra, G, Zihlmann, P, Stangier, K, Preston, R.C, Rabbani, S, Maier, T, Ernst, B. | Deposit date: | 2015-03-31 | Release date: | 2016-04-13 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.739 Å) | Cite: | Carbohydrate-Lectin Interactions: An Unexpected Contribution to Affinity. Chembiochem, 18, 2017
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4Z3E
| Crystal structure of the lectin domain of PapG from E. coli BI47 in complex with SSEA4 in space group P212121 | Descriptor: | PapG, lectin domain, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Jakob, R.P, Navarra, G, Zihlmann, P, Stangier, K, Preston, R.C, Rabbani, S, Maier, T, Ernst, B. | Deposit date: | 2015-03-31 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Carbohydrate-Lectin Interactions: An Unexpected Contribution to Affinity. Chembiochem, 18, 2017
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4Z3H
| Crystal structure of the lectin domain of PapG from E. coli BI47 in complex with 4-methoxyphenyl beta-D-galabiose in space group P21 | Descriptor: | 4-methoxyphenol, PapG, lectin domain, ... | Authors: | Jakob, R.P, Navarra, G, Zihlmann, P, Stangier, K, Preston, R.C, Rabbani, S, Maier, T, Ernst, B. | Deposit date: | 2015-03-31 | Release date: | 2016-04-13 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Carbohydrate-Lectin Interactions: An Unexpected Contribution to Affinity. Chembiochem, 18, 2017
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