1QUN
| X-RAY STRUCTURE OF THE FIMC-FIMH CHAPERONE ADHESIN COMPLEX FROM UROPATHOGENIC E.COLI | Descriptor: | MANNOSE-SPECIFIC ADHESIN FIMH, PAPD-LIKE CHAPERONE FIMC | Authors: | Choudhury, D, Thompson, A, Stojanoff, V, Langerman, S, Pinkner, J, Hultgren, S.J, Knight, S. | Deposit date: | 1999-07-01 | Release date: | 1999-08-31 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | X-ray structure of the FimC-FimH chaperone-adhesin complex from uropathogenic Escherichia coli. Science, 285, 1999
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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
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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
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8DKA
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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
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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
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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
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3L48
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3MCY
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3ME0
| 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, Elam, J.S, Dodson, K.W, Pinkner, J.S, Hultgren, S.J. | Deposit date: | 2010-03-31 | Release date: | 2011-04-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structure of the E. Coli Chaperone PapD in Complex with the Pilin Domain of the PapGII Adhesin To be Published
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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
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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
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6CD2
| Crystal structure of the PapC usher bound to the chaperone-adhesin PapD-PapG | Descriptor: | Chaperone protein PapD, Outer membrane usher protein PapC, PapGII adhesin protein | Authors: | Omattage, N.S, Deng, Z, Yuan, P, Hultgren, S.J. | Deposit date: | 2018-02-07 | Release date: | 2018-10-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Structural basis for usher activation and intramolecular subunit transfer in P pilus biogenesis in Escherichia coli. Nat Microbiol, 3, 2018
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2XG5
| E. coli P pilus chaperone-subunit complex PapD-PapH bound to pilus biogenesis inhibitor, pilicide 5d | Descriptor: | (2R)-2-[5-CYCLOPROPYL-6-(HYDROXYSULFANYL)-4-(NAPHTHALEN-1-YLMETHYL)-2-OXOPYRIDIN-1(2H)-YL]-3-PHENYLPROPANOIC ACID, (2R,3R)-8-CYCLOPROPYL-7-(NAPHTHALEN-1-YLMETHYL)-5-OXO-2-PHENYL-2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-A]PYRIDINE-3-CARBOXYLIC ACID, CHAPERONE PROTEIN PAPD, ... | Authors: | Remaut, H, Phan, G, Buelens, F, Chorell, E, Pinkner, J.S, Edvinsson, S, Almqvist, F, Hultgren, S.J, Waksman, G. | Deposit date: | 2010-05-30 | Release date: | 2010-07-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and Synthesis of C-2 Substituted Thiazolo and Dihydrothiazolo Ring-Fused 2-Pyridones: Pilicides with Increased Antivirulence Activity. J.Med.Chem., 53, 2010
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2XG4
| E. coli P pilus chaperone-subunit complex PapD-PapH bound to 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, COBALT (II) ION, ... | Authors: | Remaut, H, Phan, G, Buelens, F, Chorell, E, Pinkner, J.S, Edvinsson, S, Almqvist, F, Hultgren, S.J, Waksman, G. | Deposit date: | 2010-05-30 | Release date: | 2010-07-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design and Synthesis of C-2 Substituted Thiazolo and Dihydrothiazolo Ring-Fused 2-Pyridones: Pilicides with Increased Antivirulence Activity. J.Med.Chem., 53, 2010
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6C53
| Cryo-EM structure of the Type 1 pilus rod | Descriptor: | Type-1 fimbrial protein, A chain | Authors: | Zheng, W, Wang, F, Luna-Rico, A, Francetic, O, Hultgren, S.J, Egelman, E.H. | Deposit date: | 2018-01-13 | Release date: | 2018-01-31 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Functional role of the type 1 pilus rod structure in mediating host-pathogen interactions. Elife, 7, 2018
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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
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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
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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
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3PNT
| Crystal Structure of the Streptococcus pyogenes NAD+ glycohydrolase SPN in complex with IFS, the Immunity Factor for SPN | Descriptor: | Immunity factor for SPN, NAD+-glycohydrolase | Authors: | Smith, C.L, Stine Elam, J, Ellenberger, T, Ghosh, J, Pinkner, J.S, Hultgren, S.J, Caparon, M.G. | Deposit date: | 2010-11-19 | Release date: | 2011-03-02 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis of Streptococcus pyogenes Immunity to Its NAD(+) Glycohydrolase Toxin. Structure, 19, 2011
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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
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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
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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
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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
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5JR4
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