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4CST
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BU of 4cst by Molmil
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
7NL7
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BU of 7nl7 by Molmil
Crystal Structure of DC-SIGN in complex with a triazole-based glycomimetic ligand
Descriptor: 3-Aminopropyl 2-deoxy-2-(4-phenyl-1,2,3-triazol-1-yl)-alpha-D-mannopyranoside, CALCIUM ION, DC-SIGN, ...
Authors:Jakob, R.P, Cramer, J, Lakkaichi, A, Aliu, B, Cattaneo, I, Klein, S, Jiang, X, Rabbani, S, Schwardt, O, Ernst, B, Maier, T.
Deposit date:2021-02-22
Release date:2021-10-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Sweet Drugs for Bad Bugs: A Glycomimetic Strategy against the DC-SIGN-Mediated Dissemination of SARS-CoV-2.
J.Am.Chem.Soc., 143, 2021
7NL6
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BU of 7nl6 by Molmil
Crystal Structure of DC-SIGN in complex with a triazole-based glycomimetic ligand
Descriptor: CALCIUM ION, DC-SIGN, CRD domain, ...
Authors:Jakob, R.P, Cramer, J, Lakkaichi, A, Aliu, B, Cattaneo, I, Klein, S, Jiang, X, Rabbani, S, Schwardt, O, Ernst, B, Maier, T.
Deposit date:2021-02-22
Release date:2021-10-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Sweet Drugs for Bad Bugs: A Glycomimetic Strategy against the DC-SIGN-Mediated Dissemination of SARS-CoV-2.
J.Am.Chem.Soc., 143, 2021
5CGB
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BU of 5cgb by Molmil
Crystal structure of FimH in complex with heptyl alpha-D-septanoside
Descriptor: (6R)-1,6-anhydro-2-O-heptyl-6-(hydroxymethyl)-D-galactitol, Protein FimH, SULFATE ION
Authors:Jakob, R.P, Preston, R.P, Zihlmann, P, Fiege, B, Sager, C.P, Vannam, R, Rabbani, S, Zalewski, A, Maier, T, Ernst, B, Peczuh, M.
Deposit date:2015-07-09
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The price of flexibility - a case study on septanoses as pyranose mimetics.
Chem Sci, 9, 2018
6G2S
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BU of 6g2s by Molmil
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
6G2R
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BU of 6g2r by Molmil
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
4X5R
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BU of 4x5r by Molmil
Crystal structure of FimH in complex with a squaryl-phenyl alpha-D-mannopyranoside derivative
Descriptor: 2-chloro-4-{[2-(4-methylpiperazin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}phenyl alpha-D-mannopyranoside, Protein FimH, SULFATE ION
Authors:Preston, R.C, Jakob, R.P, Fiege, B, Zihlmann, P, Rabbani, S, Schwardt, O, Jiang, X, Ernst, B, Maier, T.
Deposit date:2014-12-05
Release date:2015-05-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The Tyrosine Gate of the Bacterial Lectin FimH: A Conformational Analysis by NMR Spectroscopy and X-ray Crystallography.
Chembiochem, 16, 2015
4X5P
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BU of 4x5p by Molmil
Crystal structure of FimH in complex with a benzoyl-amidophenyl alpha-D-mannopyranoside
Descriptor: 4-{[3-chloro-4-(alpha-D-mannopyranosyloxy)phenyl]carbamoyl}benzoic acid, Protein FimH
Authors:Preston, R.C, Jakob, R.P, Fiege, B, Zihlmann, P, Rabbani, S, Schwardt, O, Jiang, X, Ernst, B, Maier, T.
Deposit date:2014-12-05
Release date:2015-05-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (0.997 Å)
Cite:The Tyrosine Gate of the Bacterial Lectin FimH: A Conformational Analysis by NMR Spectroscopy and X-ray Crystallography.
Chembiochem, 16, 2015
4X50
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BU of 4x50 by Molmil
Crystal structure of FimH in complex with biphenyl alpha-D-mannopyranoside
Descriptor: Protein FimH, biphenyl-4-yl alpha-D-mannopyranoside
Authors:Preston, R.C, Jakob, R.P, Fiege, B, Zihlmann, P, Rabbani, S, Schwardt, O, Jiang, X, Ernst, B, Maier, T.
Deposit date:2014-12-04
Release date:2015-05-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Tyrosine Gate of the Bacterial Lectin FimH: A Conformational Analysis by NMR Spectroscopy and X-ray Crystallography.
Chembiochem, 16, 2015
4X5Q
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BU of 4x5q by Molmil
Crystal structure of FimH in complex with 5-nitro-indolinylphenyl alpha-D-mannopyranoside
Descriptor: 4-(5-nitro-1H-indol-1-yl)phenyl alpha-D-mannopyranoside, Protein FimH
Authors:Preston, R.C, Jakob, R.P, Fiege, B, Zihlmann, P, Rabbani, S, Schwardt, O, Jiang, X, Ernst, B, Maier, T.
Deposit date:2014-12-05
Release date:2015-05-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:The Tyrosine Gate of the Bacterial Lectin FimH: A Conformational Analysis by NMR Spectroscopy and X-ray Crystallography.
Chembiochem, 16, 2015
4Z3E
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BU of 4z3e by Molmil
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
6GU0
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BU of 6gu0 by Molmil
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
6GTY
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BU of 6gty by Molmil
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
6GTX
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BU of 6gtx by Molmil
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
6GTW
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BU of 6gtw by Molmil
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
6GTZ
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BU of 6gtz by Molmil
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
6GTV
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BU of 6gtv by Molmil
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
4C16
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BU of 4c16 by Molmil
E-selectin lectin, EGF-like and two SCR domains complexed with glycomimetic antagonist
Descriptor: (1R,2R,3S)-3-methylcyclohexane-1,2-diol, (S)-CYCLOHEXYL LACTIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Preston, R.C, Jakob, R.P, Binder, F.P.C, Sager, C.P, Ernst, B, Maier, T.
Deposit date:2013-08-09
Release date:2014-08-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:E-Selectin Ligand Complexes Adopt an Extended High-Affinity Conformation.
J.Mol.Cell.Biol., 8, 2016
4CA4
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BU of 4ca4 by Molmil
Crystal structure of FimH lectin domain with the Tyr48Ala mutation, in complex with heptyl alpha-D-mannopyrannoside
Descriptor: FIMH, heptyl alpha-D-mannopyranoside
Authors:Rabbani, S, Bouckaert, J, Zalewski, A, Preston, R, Eid, S, Thompson, A, Puorger, C, Glockshuber, R, Ernst, B.
Deposit date:2013-10-06
Release date:2014-10-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Mutation of Tyr137 of the universal Escherichia coli fimbrial adhesin FimH relaxes the tyrosine gate prior to mannose binding.
IUCrJ, 4, 2017
4CSY
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BU of 4csy by Molmil
E-selectin lectin, EGF-like and two SCR domains complexed with Sialyl Lewis X
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, E-SELECTIN, ...
Authors:Preston, R.C, Jakob, R.P, Binder, F.P.C, Sager, C.P, Ernst, B, Maier, T.
Deposit date:2014-03-11
Release date:2014-09-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:E-Selectin Ligand Complexes Adopt an Extended High-Affinity Conformation.
J.Mol.Cell.Biol., 8, 2016
4CSS
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BU of 4css by Molmil
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
2N7B
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BU of 2n7b by Molmil
Solution structure of the human Siglec-8 lectin domain in complex with 6'sulfo sialyl Lewisx
Descriptor: 3-aminopropan-1-ol, N-acetyl-alpha-neuraminic acid-(2-3)-6-O-sulfo-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose, Sialic acid-binding Ig-like lectin 8
Authors:Proepster, J.M, Yang, F, Rabbani, S, Ernst, B, Allain, F.H.-T, Schubert, M.
Deposit date:2015-09-07
Release date:2016-07-06
Last modified:2020-07-29
Method:SOLUTION NMR
Cite:Structural basis for sulfation-dependent self-glycan recognition by the human immune-inhibitory receptor Siglec-8.
Proc.Natl.Acad.Sci.USA, 113, 2016
2N7A
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BU of 2n7a by Molmil
Solution structure of the human Siglec-8 lectin domain
Descriptor: Sialic acid-binding Ig-like lectin 8
Authors:Proepster, J.M, Yang, F, Rabbani, S, Ernst, B, Allain, F.H.-T, Schubert, M.
Deposit date:2015-09-07
Release date:2016-07-06
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural basis for sulfation-dependent self-glycan recognition by the human immune-inhibitory receptor Siglec-8.
Proc.Natl.Acad.Sci.USA, 113, 2016
5JCQ
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BU of 5jcq by Molmil
Crystal structure of the FimH lectin domain from E.coli K12 in complex with methyl alpha-D-mannopyrannoside in spacegroup P21
Descriptor: Protein FimH, SULFATE ION, methyl alpha-D-mannopyranoside
Authors:Jakob, R.P, Rabbani, S, Ernst, B, Maier, T.
Deposit date:2016-04-15
Release date:2017-05-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:Crystal structure of the FimH lectin domain from E.coli K12 in complex with methyl alpha-D-mannopyrannoside in spacegroup P21
To Be Published
5JCR
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BU of 5jcr by Molmil
Crystal structure of the FimH lectin domain from E.coli K12 in complex with methyl alpha-D-mannopyrannoside in spacegroup P212121
Descriptor: Protein FimH, methyl alpha-D-mannopyranoside
Authors:Jakob, R.P, Rabbani, S, Ernst, B, Maier, T.
Deposit date:2016-04-15
Release date:2017-05-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Crystal structure of the FimH lectin domain from E.coli K12 in complex with methyl alpha-D-mannopyrannoside in spacegroup P212121
To Be Published

 

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