4X5P
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![BU of 4x5p by Molmil](/molmil-images/mine/4x5p) | Crystal structure of FimH in complex with a benzoyl-amidophenyl alpha-D-mannopyranoside | 分子名称: | 4-{[3-chloro-4-(alpha-D-mannopyranosyloxy)phenyl]carbamoyl}benzoic acid, Protein FimH | 著者 | Preston, R.C, Jakob, R.P, Fiege, B, Zihlmann, P, Rabbani, S, Schwardt, O, Jiang, X, Ernst, B, Maier, T. | 登録日 | 2014-12-05 | 公開日 | 2015-05-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (0.997 Å) | 主引用文献 | The Tyrosine Gate of the Bacterial Lectin FimH: A Conformational Analysis by NMR Spectroscopy and X-ray Crystallography. Chembiochem, 16, 2015
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4CSS
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![BU of 4css by Molmil](/molmil-images/mine/4css) | Crystal structure of FimH in complex with a sulfonamide biphenyl alpha D-mannoside | 分子名称: | 4'-(alpha-D-Mannopyranosyloxy)-biphenyl-4-methyl sulfonamide, GLYCEROL, PROTEIN FIMH | 著者 | 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. | 登録日 | 2014-03-10 | 公開日 | 2015-02-25 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.069 Å) | 主引用文献 | Fimh Antagonists: Bioisosteres to Improve the in Vitro and in Vivo Pk/Pd Profile. J.Med.Chem., 58, 2015
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4CST
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![BU of 4cst by Molmil](/molmil-images/mine/4cst) | Crystal structure of FimH in complex with 3'-Chloro-4'-(alpha-D-mannopyranosyloxy)-biphenyl-4-carbonitrile | 分子名称: | 3'-chloro-4'-(alpha-D-mannopyranosyloxy)biphenyl-4-carbonitrile, PROTEIN FIMH | 著者 | 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. | 登録日 | 2014-03-10 | 公開日 | 2015-02-25 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Fimh Antagonists: Bioisosteres to Improve the in Vitro and in Vivo Pk/Pd Profile. J.Med.Chem., 58, 2015
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4X5Q
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![BU of 4x5q by Molmil](/molmil-images/mine/4x5q) | Crystal structure of FimH in complex with 5-nitro-indolinylphenyl alpha-D-mannopyranoside | 分子名称: | 4-(5-nitro-1H-indol-1-yl)phenyl alpha-D-mannopyranoside, Protein FimH | 著者 | Preston, R.C, Jakob, R.P, Fiege, B, Zihlmann, P, Rabbani, S, Schwardt, O, Jiang, X, Ernst, B, Maier, T. | 登録日 | 2014-12-05 | 公開日 | 2015-05-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | 主引用文献 | The Tyrosine Gate of the Bacterial Lectin FimH: A Conformational Analysis by NMR Spectroscopy and X-ray Crystallography. Chembiochem, 16, 2015
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4XO9
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![BU of 4xo9 by Molmil](/molmil-images/mine/4xo9) | Crystal structure of a FimH*DsG complex from E.coli K12 in space group C2 | 分子名称: | Minor component of type 1 fimbriae, 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 (1.14 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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3ZL2
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![BU of 3zl2 by Molmil](/molmil-images/mine/3zl2) | A thiazolyl-mannoside bound to FimH, orthorhombic space group | 分子名称: | N-{5-[(1R)-1-hydroxyethyl]-1,3-thiazol-2-yl}-alpha-D-mannopyranosylamine, PROTEIN FIMH | 著者 | Brument, S, Sivignon, A, Dumych, T.I, Moreau, N, Roos, G, Guerardel, Y, Chalopin, T, Deniaud, D, Bilyy, R.O, Darfeuille-Michaud, A, Bouckaert, J, Gouin, S.G. | 登録日 | 2013-01-27 | 公開日 | 2013-07-10 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.251 Å) | 主引用文献 | Thiazolylaminomannosides as Potent Antiadhesives of Type 1 Piliated Escherichia Coli Isolated from Crohn'S Disease Patients. J.Med.Chem., 56, 2013
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4ATT
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![BU of 4att by Molmil](/molmil-images/mine/4att) | FimH lectin domain co-crystal with a alpha-D-mannoside O-linked to a propynyl para methoxy phenyl | 分子名称: | 3-(4-methoxyphenyl)prop-2-yn-1-yl alpha-D-mannopyranoside, FIMH | 著者 | Bouckaert, J, Touaibia, M, Roos, G, Shiao, T.C, Wang, Q, Papadopoulos, A, Roy, R. | 登録日 | 2012-05-09 | 公開日 | 2013-05-22 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.251 Å) | 主引用文献 | Validation of Reactivity Descriptors to Assess the Aromatic Stacking within the Tyrosine Gate of Fimh. Acs Med.Chem.Lett., 4, 2013
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7BHD
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![BU of 7bhd by Molmil](/molmil-images/mine/7bhd) | FimH in complex with alpha1,6 core-fucosylated oligomannose-3, crystallized in the trigonal space group | 分子名称: | NICKEL (II) ION, SULFATE ION, Type 1 fimbrin D-mannose specific adhesin, ... | 著者 | Bridot, C, Bouckaert, J, Krammer, E.-M. | 登録日 | 2021-01-11 | 公開日 | 2022-07-20 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structural insights into a cooperative switch between one and two FimH bacterial adhesins binding pauci- and high-mannose type N-glycan receptors. J.Biol.Chem., 299, 2023
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4AV5
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![BU of 4av5 by Molmil](/molmil-images/mine/4av5) | Structure of a triclinic crystal of the FimH lectin domain in complex with a propynyl biphenyl alpha-D-mannoside, at 1.4 A resolution | 分子名称: | (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[3-(4-phenylphenyl)prop-2-ynoxy]oxane-3,4,5-triol, FIMH, SULFATE ION | 著者 | Wellens, A, Lahmann, M, Touaibia, M, Vaucher, J, Oscarson, S, Roy, R, Remaut, H, Bouckaert, J. | 登録日 | 2012-05-23 | 公開日 | 2012-06-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | The Tyrosine Gate as a Potential Entropic Lever in the Receptor-Binding Site of the Bacterial Adhesin Fimh. Biochemistry, 51, 2012
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7AYN
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![BU of 7ayn by Molmil](/molmil-images/mine/7ayn) | Crystal structure of the lectin domain of the FimH variant Arg98Ala, in complex with Methyl 3-chloro-4-D-mannopyranosyloxy-3-biphenylcarboxylate | 分子名称: | 1,2-ETHANEDIOL, Type 1 fimbrin D-mannose specific adhesin, methyl 3-[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]benzoate | 著者 | Jakob, R.P, Tomasic, T, Rabbani, S, Reisner, A, Jakopin, Z, Maier, T, Ernst, B, Anderluh, M. | 登録日 | 2020-11-12 | 公開日 | 2020-12-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Does targeting Arg98 of FimH lead to high affinity antagonists? Eur.J.Med.Chem., 211, 2020
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5FS5
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![BU of 5fs5 by Molmil](/molmil-images/mine/5fs5) | |
8BXY
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![BU of 8bxy by Molmil](/molmil-images/mine/8bxy) | FimH in complex with alpha1,6 core-fucosylated oligomannose-3, crystallized in the trigonal space group | 分子名称: | NICKEL (II) ION, SULFATE ION, Type 1 fimbrin D-mannose specific adhesin, ... | 著者 | Bridot, C, Bouckaert, J, Krammer, E.-M. | 登録日 | 2022-12-11 | 公開日 | 2023-04-12 | 最終更新日 | 2023-04-26 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Structural insights into a cooperative switch between one and two FimH bacterial adhesins binding pauci- and high-mannose type N-glycan receptors. J.Biol.Chem., 299, 2023
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4LOV
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![BU of 4lov by Molmil](/molmil-images/mine/4lov) | Crystal structure of FimH in complex with Heptylmannoside | 分子名称: | GLYCEROL, Protein FimH, SODIUM ION, ... | 著者 | Garcia-Pino, A, Vanwetswinkel, S, van Nuland, N. | 登録日 | 2013-07-13 | 公開日 | 2014-02-12 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Study of the Structural and Dynamic Effects in the FimH Adhesin upon alpha-d-Heptyl Mannose Binding. J.Med.Chem., 57, 2014
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4AUJ
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![BU of 4auj by Molmil](/molmil-images/mine/4auj) | FimH lectin domain co-crystal with a alpha-D-mannoside O-linked to para hydroxypropargyl phenyl | 分子名称: | 4-(3-hydroxyprop-1-yn-1-yl)phenyl alpha-D-mannopyranoside, FIMH | 著者 | Bouckaert, J, Touaibia, M, Roos, G, Shiao, T.C, Wang, Q, Papadopoulos, A, Roy, R. | 登録日 | 2012-05-17 | 公開日 | 2013-05-29 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.527 Å) | 主引用文献 | Validation of Reactivity Descriptors to Assess the Aromatic Stacking within the Tyrosine Gate of Fimh. Acs Med.Chem.Lett., 4, 2013
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3ZL1
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![BU of 3zl1 by Molmil](/molmil-images/mine/3zl1) | A thiazolyl-mannoside bound to FimH, monoclinic space group | 分子名称: | CHLORIDE ION, N-{5-[(1R)-1-hydroxyethyl]-1,3-thiazol-2-yl}-alpha-D-mannopyranosylamine, PROTEIN FIMH | 著者 | Brument, S, Sivignon, A, Dumych, T.I, Moreau, N, Roos, G, Guerardel, Y, Chalopin, T, Deniaud, D, Bilyy, R.O, Darfeuille-Michaud, A, Bouckaert, J, Gouin, S.G. | 登録日 | 2013-01-27 | 公開日 | 2013-07-10 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.551 Å) | 主引用文献 | Thiazolylaminomannosides as Potent Antiadhesives of Type 1 Piliated Escherichia Coli Isolated from Crohn'S Disease Patients. J.Med.Chem., 56, 2013
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4AUU
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![BU of 4auu by Molmil](/molmil-images/mine/4auu) | Crystal structure of apo FimH lectin domain at 1.5 A resolution | 分子名称: | 1,2-ETHANEDIOL, FIMH, NICKEL (II) ION, ... | 著者 | Wellens, A, Lahmann, M, Touaibia, M, Vaucher, J, Oscarson, S, Roy, R, Remaut, H, Bouckaert, J. | 登録日 | 2012-05-22 | 公開日 | 2012-06-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | The Tyrosine Gate as a Potential Entropic Lever in the Receptor-Binding Site of the Bacterial Adhesin Fimh. Biochemistry, 51, 2012
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5CGB
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![BU of 5cgb by Molmil](/molmil-images/mine/5cgb) | Crystal structure of FimH in complex with heptyl alpha-D-septanoside | 分子名称: | (6R)-1,6-anhydro-2-O-heptyl-6-(hydroxymethyl)-D-galactitol, Protein FimH, SULFATE ION | 著者 | 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. | 登録日 | 2015-07-09 | 公開日 | 2016-07-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | The price of flexibility - a case study on septanoses as pyranose mimetics. Chem Sci, 9, 2018
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5JCQ
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5MCA
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![BU of 5mca by Molmil](/molmil-images/mine/5mca) | Crystal structure of FimH-LD R60P variant in the apo state | 分子名称: | Protein FimH, SULFATE ION | 著者 | Jakob, R.P, Rabbani, S, Ernst, B, Maier, T. | 登録日 | 2016-11-09 | 公開日 | 2017-12-06 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.604 Å) | 主引用文献 | Conformational switch of the bacterial adhesin FimH in the absence of the regulatory domain: Engineering a minimalistic allosteric system. J. Biol. Chem., 293, 2018
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4X5R
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![BU of 4x5r by Molmil](/molmil-images/mine/4x5r) | Crystal structure of FimH in complex with a squaryl-phenyl alpha-D-mannopyranoside derivative | 分子名称: | 2-chloro-4-{[2-(4-methylpiperazin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}phenyl alpha-D-mannopyranoside, Protein FimH, SULFATE ION | 著者 | Preston, R.C, Jakob, R.P, Fiege, B, Zihlmann, P, Rabbani, S, Schwardt, O, Jiang, X, Ernst, B, Maier, T. | 登録日 | 2014-12-05 | 公開日 | 2015-05-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | The Tyrosine Gate of the Bacterial Lectin FimH: A Conformational Analysis by NMR Spectroscopy and X-ray Crystallography. Chembiochem, 16, 2015
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5F2F
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![BU of 5f2f by Molmil](/molmil-images/mine/5f2f) | Crystal structure of para-biphenyl-2-methyl-3', 5' di-methyl amide mannoside bound to FimH lectin domain | 分子名称: | 5-[4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-phenyl]-~{N}1,~{N}3-dimethyl-benzene-1,3-dicarboxamide, GLYCEROL, Protein FimH | 著者 | Kalas, V, Hultgren, S.J. | 登録日 | 2015-12-01 | 公開日 | 2016-05-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.665 Å) | 主引用文献 | Antivirulence Isoquinolone Mannosides: Optimization of the Biaryl Aglycone for FimH Lectin Binding Affinity and Efficacy in the Treatment of Chronic UTI. Chemmedchem, 11, 2016
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1UWF
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![BU of 1uwf by Molmil](/molmil-images/mine/1uwf) | 1.7 A resolution structure of the receptor binding domain of the FimH adhesin from uropathogenic E. coli | 分子名称: | FIMH PROTEIN, GLYCEROL, butyl alpha-D-mannopyranoside | 著者 | Bouckaert, J, Berglund, J, Genst, E.D, Cools, L, Hung, C.-S, Wuhrer, M, Zavialov, A, Langermann, S, Hultgren, S, Wyns, L, Oscarson, S, Knight, S.D, De Greve, H. | 登録日 | 2004-02-05 | 公開日 | 2005-02-16 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Receptor Binding Studies Disclose a Novel Class of High-Affinity Inhibitors of the Escherichia Coli Fimh Adhesin. Mol.Microbiol., 55, 2005
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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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5JCR
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![BU of 5jcr by Molmil](/molmil-images/mine/5jcr) | |