8USM
| FmlH Lectin Domain UTI89 - AM4085 | Descriptor: | 4'-fluoro-6-(trifluoromethyl)[1,1'-biphenyl]-2-yl 2-acetamido-2-deoxy-beta-D-galactopyranoside, Fimbrial protein (Fragment) | Authors: | Tamadonfar, K.O, Pinkner, J.P, Maddirala, A.R, Janetka, J.W, Hultgren, S.J. | Deposit date: | 2023-10-27 | Release date: | 2024-02-14 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Discovery of Orally Bioavailable FmlH Lectin Antagonists as Treatment for Urinary Tract Infections. J.Med.Chem., 67, 2024
|
|
4UV3
| Structure of the curli transport lipoprotein CsgG in its membrane- bound conformation | Descriptor: | CURLI PRODUCTION ASSEMBLY/TRANSPORT COMPONENT CSGG | Authors: | Goyal, P, Krasteva, P.V, Gerven, N.V, Gubellini, F, Broeck, I.V.D, Troupiotis-Tsailaki, A, Jonckheere, W, Pehau-Arnaudet, G, Pinkner, J.S, Chapman, M.R, Hultgren, S.J, Howorka, S, Fronzes, R, Remaut, H. | Deposit date: | 2014-08-04 | Release date: | 2014-09-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.59 Å) | Cite: | Structural and Mechanistic Insights Into the Bacterial Amyloid Secretion Channel Csgg. Nature, 516, 2014
|
|
4UV2
| Structure of the curli transport lipoprotein CsgG in a non-lipidated, pre-pore conformation | Descriptor: | CURLI PRODUCTION TRANSPORT COMPONENT CSGG | Authors: | Goyal, P, Krasteva, P.V, Gerven, N.V, Gubellini, F, Broeck, I.V.D, Troupiotis-Tsailaki, A, Jonckheere, W, Pehau-Arnaudet, G, Pinkner, J.S, Chapman, M.R, Hultgren, S.J, Howorka, S, Fronzes, R, Remaut, H. | Deposit date: | 2014-08-04 | Release date: | 2014-09-24 | Last modified: | 2014-12-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and Mechanistic Insights Into the Bacterial Amyloid Secretion Channel Csgg. Nature, 516, 2014
|
|
5JR4
| |
3L48
| |
5VQ5
| Crystal Structure of the Lectin Domain From the F17-like Adhesin, UclD | Descriptor: | Adhesin, IODIDE ION | Authors: | Klein, R.D, Spaulding, C.N, Dodson, K.W, Pinkner, J.S, Hultgren, S.J, Fremont, D. | Deposit date: | 2017-05-08 | Release date: | 2017-05-24 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Selective depletion of uropathogenic E. coli from the gut by a FimH antagonist. Nature, 546, 2017
|
|
1UWF
| 1.7 A resolution structure of the receptor binding domain of the FimH adhesin from uropathogenic E. coli | Descriptor: | FIMH PROTEIN, GLYCEROL, butyl alpha-D-mannopyranoside | Authors: | 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. | Deposit date: | 2004-02-05 | Release date: | 2005-02-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Receptor Binding Studies Disclose a Novel Class of High-Affinity Inhibitors of the Escherichia Coli Fimh Adhesin. Mol.Microbiol., 55, 2005
|
|
8DEZ
| Abp2D Receptor Binding Domain ACICU | Descriptor: | Abp2D Receptor Binding Domain, CITRATE ANION, SULFATE ION | Authors: | Tamadonfar, K.O, Pinkner, J.P, Dodson, K.W, Kalas, V, Hultgren, S.J. | Deposit date: | 2022-06-21 | Release date: | 2023-03-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Structure-function correlates of fibrinogen binding by Acinetobacter adhesins critical in catheter-associated urinary tract infections. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
8DKA
| |
8DF0
| Abp1D receptor binding domain | Descriptor: | Abp1D Receptor Binding Domain | Authors: | Tamadonfar, K.O, Pinkner, J.S, Dodson, K.W, Hultgren, S.J. | Deposit date: | 2022-06-21 | Release date: | 2023-03-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-function correlates of fibrinogen binding by Acinetobacter adhesins critical in catheter-associated urinary tract infections. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
5LNG
| Lectin domain of E. coli F9 pilus adhesin FmlH | Descriptor: | Putative Fml fimbrial adhesin FmlD, SULFATE ION | Authors: | Ruer, S, Conover, M.S, Kalas, V, Taganna, J, De Greve, H, Pinkner, J.S, Dodson, K.W, Hultgren, S.J, Remaut, H. | Deposit date: | 2016-08-04 | Release date: | 2016-10-05 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Inflammation-Induced Adhesin-Receptor Interaction Provides a Fitness Advantage to Uropathogenic E. coli during Chronic Infection. Cell Host Microbe, 20, 2016
|
|
5LNE
| E. coli F9 pilus adhesin FmlH bound to the Thomsen-Friedenreich (TF) antigen | Descriptor: | NICKEL (II) ION, Putative Fml fimbrial adhesin FmlD, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose | Authors: | Ruer, S, Conover, M.S, Kalas, V, Taganna, J, De Greve, H, Pinkner, J.S, Dodson, K.W, Hultgren, S.J, Remaut, H. | Deposit date: | 2016-08-04 | Release date: | 2016-10-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Inflammation-Induced Adhesin-Receptor Interaction Provides a Fitness Advantage to Uropathogenic E. coli during Chronic Infection. Cell Host Microbe, 20, 2016
|
|
5JQI
| |
6MAW
| F9 Pilus Adhesin FmlH Lectin Domain from E. coli UTI89 in Complex with Galactoside N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[S-methyl-6-(trifluoromethyl)-[1,1'-biphenyl]-3'-yl]oxy}oxan-3-yl]acetamide | Descriptor: | Fimbrial adhesin FmlD, N-[2'-{[2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl]oxy}-6'-(trifluoromethyl)[1,1'-biphenyl]-3-yl]methanesulfonamide | Authors: | Klein, R.D, Hultgren, S.J. | Deposit date: | 2018-08-28 | Release date: | 2019-09-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Biphenyl Gal and GalNAc FmlH Lectin Antagonists of Uropathogenic E. coli (UPEC): Optimization through Iterative Rational Drug Design. J.Med.Chem., 62, 2019
|
|
1TR7
| FimH adhesin receptor binding domain from uropathogenic E. coli | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, FimH protein, ... | Authors: | Bouckaert, J, Berglund, J, Schembri, M, De Genst, E, Cools, L, Wuhrer, M, Hung, C.S, Pinkner, J, Slattegard, R, Zavialov, A, Choudhury, D, Langermann, S, Hultgren, S.J, Wyns, L, Klemm, P, Oscarson, S, Knight, S.D, De Greve, H. | Deposit date: | 2004-06-21 | Release date: | 2005-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Receptor binding studies disclose a novel class of high-affinity inhibitors of the Escherichia coli FimH adhesin Mol.Microbiol., 55, 2005
|
|
5F2F
| Crystal structure of para-biphenyl-2-methyl-3', 5' di-methyl amide mannoside bound to FimH lectin domain | Descriptor: | 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 | Authors: | Kalas, V, Hultgren, S.J. | Deposit date: | 2015-12-01 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.665 Å) | Cite: | Antivirulence Isoquinolone Mannosides: Optimization of the Biaryl Aglycone for FimH Lectin Binding Affinity and Efficacy in the Treatment of Chronic UTI. Chemmedchem, 11, 2016
|
|
5F3F
| Crystal structure of para-biphenyl-2-methyl-3'-methyl amide mannoside bound to FimH lectin domain | Descriptor: | 3-[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}-methyl-benzamide, Protein FimH | Authors: | Klein, R.D, Hultgren, S.J. | Deposit date: | 2015-12-02 | Release date: | 2016-12-07 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Antivirulence C-Mannosides as Antibiotic-Sparing, Oral Therapeutics for Urinary Tract Infections. J.Med.Chem., 59, 2016
|
|
6MAP
| F9 Pilus Adhesin FmlH Lectin Domain from E. coli UTI89 in Complex with Galactoside 5-nitro-2'-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-[1,1'-biphenyl]-3-carboxylic acid | Descriptor: | 2'-(beta-D-galactopyranosyloxy)-5-nitro[1,1'-biphenyl]-3-carboxylic acid, Fimbrial adhesin FmlD, GLYCEROL, ... | Authors: | Klein, R.D, Hultgren, S.J. | Deposit date: | 2018-08-28 | Release date: | 2019-09-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Biphenyl Gal and GalNAc FmlH Lectin Antagonists of Uropathogenic E. coli (UPEC): Optimization through Iterative Rational Drug Design. J.Med.Chem., 62, 2019
|
|
5FLU
| Structure of a Chaperone-Usher pilus reveals the molecular basis of rod uncoilin | Descriptor: | PAP FIMBRIAL MAJOR PILIN PROTEIN | Authors: | Hospenthal, M.K, Redzej, A, Dodson, K, Ukleja, M, Frenz, B, Hultgren, S.J, DiMaio, F, Egelman, E.H, Waksman, G. | Deposit date: | 2015-10-28 | Release date: | 2016-01-13 | Last modified: | 2019-10-23 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure of a Chaperone-Usher Pilus Reveals the Molecular Basis of Rod Uncoiling. Cell(Cambridge,Mass.), 164, 2016
|
|
6MAQ
| F9 Pilus Adhesin FmlH Lectin Domain from E. coli UTI89 in Complex with Galactoside 2'-{[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-nitro-[1,1'-biphenyl]-3-carboxylic acid | Descriptor: | 2'-{[2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl]oxy}-5-nitro[1,1'-biphenyl]-3-carboxylic acid, Fimbrial adhesin FmlD, GLYCEROL | Authors: | Klein, R.D, Hultgren, S.J. | Deposit date: | 2018-08-28 | Release date: | 2019-09-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Biphenyl Gal and GalNAc FmlH Lectin Antagonists of Uropathogenic E. coli (UPEC): Optimization through Iterative Rational Drug Design. J.Med.Chem., 62, 2019
|
|
2J7L
| E. coli P Pilus chaperone PapD in complex with a pilus biogenesis inhibitor, pilicide 2c | Descriptor: | (3R)-8-CYCLOPROPYL-6-(MORPHOLIN-4-YLMETHYL)-7-(1-NAPHTHYLMETHYL)-5-OXO-2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-A]PYRIDINE-3-CARBOXYLIC ACID, CHAPERONE PROTEIN PAPD | Authors: | Remaut, H, Pinkner, J.S, Hultgren, S.J, Almqvist, F, Waksman, G. | Deposit date: | 2006-10-12 | Release date: | 2006-11-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Rationally Designed Small Compounds Inhibit Pilus Biogenesis in Uropathogenic Bacteria. Proc.Natl.Acad.Sci.USA, 103, 2006
|
|
2WMP
| Structure of the E. coli chaperone PapD in complex with the pilin domain of the PapGII adhesin | Descriptor: | CHAPERONE PROTEIN PAPD, PAPG PROTEIN | Authors: | Ford, B.A, Verger, D, Elam, J.S, Dodson, K.W, Pinkner, J.S, Hultgren, S.J. | Deposit date: | 2009-07-02 | Release date: | 2010-08-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the Papd-Papgii Pilin Complex Reveals an Open and Flexible P5 Pocket. J.Bacteriol., 194, 2012
|
|
1L4I
| Crystal Structure of the Periplasmic Chaperone SfaE | Descriptor: | SfaE PROTEIN | Authors: | Knight, S.D, Choudhury, D, Hultgren, S, Pinkner, J, Stojanoff, V, Thompson, A. | Deposit date: | 2002-03-05 | Release date: | 2002-06-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of the S pilus periplasmic chaperone SfaE at 2.2 A resolution. Acta Crystallogr.,Sect.D, 58, 2002
|
|
2J2Z
| X-Ray Structure of the Chaperone PapD in complex with the Pilus terminator subunit PapH at 2.3 Angstrom resolution | Descriptor: | CHAPERONE PROTEIN PAPD, COBALT (II) ION, PAP FIMBRIAL MINOR PILIN PROTEIN, ... | Authors: | Verger, D, Miller, E, Remaut, H, Waksman, G, Hultgren, S. | Deposit date: | 2006-08-17 | Release date: | 2006-11-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular Mechanism of P Pilus Termination in Uropathogenic Escherichia Coli. Embo Rep., 7, 2006
|
|
2KT6
| Structural homology between the C-terminal domain of the PapC usher and its plug | Descriptor: | Outer membrane usher protein papC | Authors: | Ford, B, Rego, A, Ragan, T.J, Pinkner, J, Dodson, K, Driscoll, P.C, Hultgren, S, Waksman, G. | Deposit date: | 2010-01-19 | Release date: | 2010-04-21 | Last modified: | 2022-03-16 | Method: | SOLUTION NMR | Cite: | Structural Homology between the C-Terminal Domain of the PapC Usher and Its Plug. J.Bacteriol., 192, 2010
|
|