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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6GU0
| Crystal structure of a FimH*DsG complex from E.coli F18 with bound dimannoside Man(alpha1-3)Man in space group P213 | Descriptor: | FimG protein, FimH protein, SULFATE ION, ... | Authors: | Jakob, R.P, Sauer, M.M, Luber, T, Canonica, F, Navarra, G, Ernst, B, Unverzagt, C, Maier, T, Glockshuber, R. | Deposit date: | 2018-06-19 | Release date: | 2019-01-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | 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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6GTX
| Crystal structure of the FimH lectin domain from E.coli K12 in complex with the dimannoside Man(alpha1-2)Man | Descriptor: | SULFATE ION, Type 1 fimbrin D-mannose specific adhesin, alpha-D-mannopyranose-(1-2)-methyl alpha-D-mannopyranoside | Authors: | Jakob, R.P, Sauer, M.M, Luber, T, Canonica, F, Navarra, G, Ernst, B, Unverzagt, C, Maier, T, Glockshuber, R. | Deposit date: | 2018-06-19 | Release date: | 2019-01-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 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
| Crystal structure of the FimH lectin domain from E.coli F18 in complex with trimannose | Descriptor: | CALCIUM ION, FimH protein, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose | Authors: | Jakob, R.P, Sauer, M.M, Luber, T, Canonica, F, Navarra, G, Ernst, B, Unverzagt, C, Maier, T, Glockshuber, R. | Deposit date: | 2018-06-19 | Release date: | 2019-01-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 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
| Crystal structure of the FimH lectin domain from E.coli K12 in complex with the dimannoside Man(alpha1-6)Man | Descriptor: | Type 1 fimbrin D-mannose specific adhesin, alpha-D-mannopyranose-(1-6)-methyl alpha-D-mannopyranoside | Authors: | Jakob, R.P, Sauer, M.M, Luber, T, Canonica, F, Navarra, G, Ernst, B, Unverzagt, C, Maier, T, Glockshuber, R. | Deposit date: | 2018-06-19 | Release date: | 2019-01-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 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
| Crystal structure of a FimH*DsG complex from E.coli F18 with bound trimannose | Descriptor: | DI(HYDROXYETHYL)ETHER, FimG protein, FimH protein, ... | Authors: | Jakob, R.P, Sauer, M.M, Luber, T, Canonica, F, Navarra, G, Ernst, B, Unverzagt, C, Maier, T, Glockshuber, R. | Deposit date: | 2018-06-19 | Release date: | 2019-01-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 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
| Crystal structure of a FimH*DsG complex from E.coli F18 with bound dimannoside Man(alpha1-3)Man in space group P21 | Descriptor: | FimG protein, FimH protein, alpha-D-mannopyranose-(1-3)-methyl alpha-D-mannopyranoside | Authors: | Jakob, R.P, Sauer, M.M, Luber, T, Canonica, F, Navarra, G, Ernst, B, Unverzagt, C, Maier, T, Glockshuber, R. | Deposit date: | 2018-06-19 | Release date: | 2019-01-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.719 Å) | Cite: | 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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5L4W
| Crystal structure of FimH lectin domain in complex with 3-Fluoro-Heptylmannoside | Descriptor: | Protein FimH, heptyl 3-fluoro-alpha-D-mannopyranoside | Authors: | Jakob, R.P, Zihlmann, P, Rabbani, S, Maier, T, Ernst, B. | Deposit date: | 2016-05-26 | Release date: | 2017-06-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High-Affinity Carbohydrate-Lectin Interactions: How Nature Makes it Possible To Be Published
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5L4X
| Crystal structure of FimH lectin domain in complex with 4-Deoxy-Heptylmannoside | Descriptor: | Protein FimH, heptyl 4-deoxy-4-deoxy-alpha-D-mannopyranoside | Authors: | Jakob, R.P, Zihlmann, P, Rabbani, S, Maier, T, Ernst, B. | Deposit date: | 2016-05-26 | Release date: | 2017-06-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High-Affinity Carbohydrate-Lectin Interactions: How Nature Makes it Possible To Be Published
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5L4U
| Crystal structure of FimH lectin domain in complex with 2-Fluoro-Heptylmannoside | Descriptor: | Protein FimH, heptyl 2-fluoro-alpha-D-mannopyranoside | Authors: | Jakob, R.P, Zihlmann, P, Rabbani, S, Maier, T, Ernst, B. | Deposit date: | 2016-05-26 | Release date: | 2017-06-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | High-Affinity Carbohydrate-Lectin Interactions: How Nature Makes it Possible To Be Published
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5L4Y
| Crystal structure of FimH lectin domain in complex with 4-Fluoro-Heptylmannoside | Descriptor: | Protein FimH, heptyl 4-deoxy-4-fluoro-alpha-D-mannopyranoside | Authors: | Jakob, R.P, Zihlmann, P, Rabbani, S, Maier, T, Ernst, B. | Deposit date: | 2016-05-26 | Release date: | 2017-06-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High-Affinity Carbohydrate-Lectin Interactions: How Nature Makes it Possible To Be Published
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5L4V
| Crystal structure of FimH lectin domain in complex with 3-Deoxy-Heptylmannoside | Descriptor: | Protein FimH, heptyl 3-deoxy-alpha-D-mannopyranoside | Authors: | Jakob, R.P, Zihlmann, P, Rabbani, S, Maier, T, Ernst, T. | Deposit date: | 2016-05-26 | Release date: | 2017-06-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | High-Affinity Carbohydrate-Lectin Interactions: How Nature Makes it Possible To Be Published
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5L4T
| Crystal structure of FimH lectin domain in complex with 2-Deoxy-Heptylmannoside | Descriptor: | Protein FimH, heptyl 2-deoxy-alpha-D-mannopyranoside | Authors: | Jakob, R.P, Zihlmann, P, Rabbani, S, Maier, T, Ernst, B. | Deposit date: | 2016-05-26 | Release date: | 2017-06-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High-Affinity Carbohydrate-Lectin Interactions: How Nature Makes it Possible To Be Published
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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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4Z38
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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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5BP1
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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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5MUC
| Crystal structure of the FimH lectin domain in complex with 1,5-Anhydromannitol | Descriptor: | 1-deoxy-alpha-D-mannopyranose, Protein FimH | Authors: | Jakob, R.P, Rabbani, S, Ernst, B, Maier, T. | Deposit date: | 2017-01-13 | Release date: | 2018-02-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | KinITC-One Method Supports both Thermodynamic and Kinetic SARs as Exemplified on FimH Antagonists. Chemistry, 24, 2018
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5OOW
| Crystal structure of lobe II from the nucleotide binding domain of DnaK in complex with AMPPCP | Descriptor: | Chaperone protein DnaK, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | Authors: | Jakob, R.P, Bauer, D, Meinhold, S, Stigler, J, Merkel, U, Maier, T, Rief, M, Zoldak, G. | Deposit date: | 2017-08-09 | Release date: | 2018-04-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A folding nucleus and minimal ATP binding domain of Hsp70 identified by single-molecule force spectroscopy. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4CW4
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