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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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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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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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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4V2E
 | | FLRT3 LRR domain | | Descriptor: | FIBRONECTIN LEUCINE RICH TRANSMEMBRANE PROTEIN 3 | | Authors: | Seiradake, E, del Toro, D, Nagel, D, Cop, F, Haertl, R, Ruff, T, Seyit-Bremer, G, Harlos, K, Border, E.C, Acker-Palmer, A, Jones, E.Y, Klein, R. | | Deposit date: | 2014-10-08 | | Release date: | 2014-11-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Flrt Structure: Balancing Repulsion and Cell Adhesion in Cortical and Vascular Development.
Neuron, 84, 2014
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4V2A
 | | human Unc5A ectodomain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, NETRIN RECEPTOR UNC5A | | Authors: | Seiradake, E, del Toro, D, Nagel, D, Cop, F, Haertl, R, Ruff, T, Seyit-Bremer, G, Harlos, K, Border, E.C, Acker-Palmer, A, Jones, E.Y, Klein, R. | | Deposit date: | 2014-10-08 | | Release date: | 2014-11-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Flrt Structure: Balancing Repulsion and Cell Adhesion in Cortical and Vascular Development
Neuron, 84, 2014
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4V2D
 | | FLRT2 LRR domain | | Descriptor: | FIBRONECTIN LEUCINE RICH TRANSMEMBRANE PROTEIN 2 | | Authors: | Seiradake, E, del Toro, D, Nagel, D, Cop, F, Haertl, R, Ruff, T, Seyit-Bremer, G, Harlos, K, Border, E.C, Acker-Palmer, A, Jones, E.Y, Klein, R. | | Deposit date: | 2014-10-08 | | Release date: | 2014-11-05 | | Last modified: | 2015-07-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Flrt Structure: Balancing Repulsion and Cell Adhesion in Cortical and Vascular Development
Neuron, 84, 2014
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4V2C
 | | mouse FLRT2 LRR domain in complex with rat Unc5D Ig1 domain | | Descriptor: | FIBRONECTIN LEUCINE RICH TRANSMEMBRANE PROTEIN 2, PROTEIN UNC5D | | Authors: | Seiradake, E, del Toro, D, Nagel, D, Cop, F, Haertl, R, Ruff, T, Seyit-Bremer, G, Harlos, K, Border, E.C, Acker-Palmer, A, Jones, E.Y, Klein, R. | | Deposit date: | 2014-10-08 | | Release date: | 2014-11-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Flrt Structure: Balancing Repulsion and Cell Adhesion in Cortical and Vascular Development
Neuron, 84, 2014
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4V2B
 | | rat Unc5D Ig domain 1 | | Descriptor: | PROTEIN UNC5D | | Authors: | Seiradake, E, del Toro, D, Nagel, D, Cop, F, Haertl, R, Ruff, T, Seyit-Bremer, G, Harlos, K, Border, E.C, Acker-Palmer, A, Jones, E.Y, Klein, R. | | Deposit date: | 2014-10-08 | | Release date: | 2014-11-05 | | Last modified: | 2015-07-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Flrt Structure: Balancing Repulsion and Cell Adhesion in Cortical and Vascular Development
Neuron, 84, 2014
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3UAO
 | | Structure and Catalytic Mechanism of the Vitamin B3 Degradative Enzyme Maleamate Amidohydrolase from Bordetalla bronchiseptica RB50 | | Descriptor: | ACETATE ION, Putative isochorismatase | | Authors: | Kincaid, V.A, Sullivan, E.D, Klein, R.D, Rowlett, R.S, Snider, M.J. | | Deposit date: | 2011-10-21 | | Release date: | 2012-01-18 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.399 Å) | | Cite: | Structure and Catalytic Mechanism of Nicotinate (Vitamin B(3)) Degradative Enzyme Maleamate Amidohydrolase from Bordetella bronchiseptica RB50.
Biochemistry, 51, 2012
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7OC1
 | | Structure of Pseudomonas aeruginosa FabF mutant C164Q in complex with Platensimycin | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Georgiou, C, Brenk, R, Espeland, L.O, Klein, R. | | Deposit date: | 2021-04-25 | | Release date: | 2021-08-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | An Experimental Toolbox for Structure-Based Hit Discovery for P. aeruginosa FabF, a Promising Target for Antibiotics.
Chemmedchem, 16, 2021
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7OC0
 | | Structure of Pseudomonas aeruginosa FabF mutant C164Q in complex with a ligand (2S,4R)-2-(thiophen-2-yl)thiazolidine-4-carboxylic acid | | Descriptor: | (2S,4R)-2-(thiophen-2-yl)thiazolidine-4-carboxylic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Georgiou, C, Brenk, R, Espeland, L.O, Klein, R. | | Deposit date: | 2021-04-25 | | Release date: | 2021-08-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | An Experimental Toolbox for Structure-Based Hit Discovery for P. aeruginosa FabF, a Promising Target for Antibiotics.
Chemmedchem, 16, 2021
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4BK5
 | | crystal structure of the human EphA4 ectodomain in complex with human ephrin A5 (amine-methylated sample) | | Descriptor: | EPHRIN TYPE-A RECEPTOR 4, EPHRIN-A5 | | Authors: | Seiradake, E, Schaupp, A, del Toro Ruiz, D, Kaufmann, R, Mitakidis, N, Harlos, K, Aricescu, A.R, Klein, R, Jones, E.Y. | | Deposit date: | 2013-04-22 | | Release date: | 2013-07-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Structurally Encoded Intraclass Differences in Epha Clusters Drive Distinct Cell Responses
Nat.Struct.Mol.Biol., 20, 2013
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4BKA
 | | crystal structure of the human EphA4 ectodomain in complex with human ephrin A5 | | Descriptor: | EPHRIN TYPE-A RECEPTOR 4, EPHRIN-A5 | | Authors: | Seiradake, E, Schaupp, A, del Toro Ruiz, D, Kaufmann, R, Mitakidis, N, Harlos, K, Aricescu, A.R, Klein, R, Jones, E.Y. | | Deposit date: | 2013-04-23 | | Release date: | 2013-07-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (5.3 Å) | | Cite: | Structurally Encoded Intraclass Differences in Epha Clusters Drive Distinct Cell Responses
Nat.Struct.Mol.Biol., 20, 2013
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4BKF
 | | crystal structure of the human EphA4 ectodomain in complex with human ephrinB3 | | Descriptor: | EPHRIN TYPE-A RECEPTOR 4, EPHRIN-B3 | | Authors: | Seiradake, E, Schaupp, A, del Toro Ruiz, D, Kaufmann, R, Mitakidis, N, Harlos, K, Aricescu, A.R, Klein, R, Jones, E.Y. | | Deposit date: | 2013-04-24 | | Release date: | 2013-07-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (4.65 Å) | | Cite: | Structurally Encoded Intraclass Differences in Epha Clusters Drive Distinct Cell Responses
Nat.Struct.Mol.Biol., 20, 2013
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4BK4
 | | crystal structure of the human EphA4 ectodomain | | Descriptor: | EPHRIN TYPE-A RECEPTOR 4 | | Authors: | Seiradake, E, Schaupp, A, del Toro Ruiz, D, Kaufmann, R, Mitakidis, N, Harlos, K, Aricescu, A.R, Klein, R, Jones, E.Y. | | Deposit date: | 2013-04-22 | | Release date: | 2013-07-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.65 Å) | | Cite: | Structurally Encoded Intraclass Differences in Epha Clusters Drive Distinct Cell Responses
Nat.Struct.Mol.Biol., 20, 2013
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6TS9
 | | Crystal structure of GES-5 carbapenemase | | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, Beta-lactamase, ... | | Authors: | Maso, L, Tondi, D, Klein, R, Montanari, M, Bellio, C, Celenza, G, Brenk, R, Cendron, L. | | Deposit date: | 2019-12-20 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Targeting the Class A Carbapenemase GES-5 via Virtual Screening.
Biomolecules, 10, 2020
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5AFB
 | | Crystal structure of the Latrophilin3 Lectin and Olfactomedin Domains | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | | Authors: | Jackson, V.A, del Toro, D, Carrasquero, M, Roversi, P, Harlos, K, Klein, R, Seiradake, E. | | Deposit date: | 2015-01-21 | | Release date: | 2015-03-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Structural Basis of Latrophilin-Flrt Interaction.
Structure, 23, 2015
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5FTT
 | | Octameric complex of Latrophilin 3 (Lec, Olf) , Unc5D (Ig, Ig2, TSP1) and FLRT2 (LRR) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ADHESION G PROTEIN-COUPLED RECEPTOR L3, CALCIUM ION, ... | | Authors: | Jackson, V.A, Mehmood, S, Chavent, M, Roversi, P, Carrasquero, M, del Toro, D, Seyit-Bremer, G, Ranaivoson, F.M, Comoletti, D, Sansom, M.S.P, Robinson, C.V, Klein, R, Seiradake, E. | | Deposit date: | 2016-01-15 | | Release date: | 2016-05-04 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Super-Complexes of Adhesion Gpcrs and Neural Guidance Receptors
Nat.Commun., 7, 2016
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5FTU
 | | Tetrameric complex of Latrophilin 3, Unc5D and FLRT2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ADHESION G PROTEIN-COUPLED RECEPTOR L3, CALCIUM ION, ... | | Authors: | Jackson, V.A, Mehmood, S, Chavent, M, Roversi, P, Carrasquero, M, del Toro, D, Seyit-Bremer, G, Ranaivoson, F.M, Comoletti, D, Sansom, M.S.P, Robinson, C.V, Klein, R, Seiradake, E. | | Deposit date: | 2016-01-15 | | Release date: | 2016-05-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (6.01 Å) | | Cite: | Super-Complexes of Adhesion Gpcrs and Neural Guidance Receptors
Nat.Commun., 7, 2016
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