7RDH
 
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8SD4
 | | Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule fusion inhibitor compound 7 | | Descriptor: | (S~1~S)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-[(dimethylamino)methyl]azetidine-1-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ... | | Authors: | Kadam, R.U, Zhu, X, Wilson, I.A. | | Deposit date: | 2023-04-06 | | Release date: | 2024-06-05 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8SD2
 | | Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule fusion inhibitor compound 4 | | Descriptor: | (S~6~S)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-5,7-dihydro-6H-pyrrolo[3,4-b]pyridine-6-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kadam, R.U, Zhu, X.Y, Wilson, I.A. | | Deposit date: | 2023-04-06 | | Release date: | 2024-06-05 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
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5T6N
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5T6S
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6WCR
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3ZYH
 | | CRYSTAL STRUCTURE OF PA-IL LECTIN COMPLEXED WITH GALBG0 AT 1.5 A RESOLUTION | | Descriptor: | 3-(beta-D-galactopyranosylthio)propanoic acid, CALCIUM ION, PA-I galactophilic lectin | | Authors: | Kadam, R.U, Bergmann, M, Hurley, M, Garg, D, Cacciarini, M, Swiderska, M.A, Nativi, C, Sattler, M, Smyth, A.R, Williams, P, Camara, M, Stocker, A, Darbre, T, Reymond, J.-L. | | Deposit date: | 2011-08-23 | | Release date: | 2011-09-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.501 Å) | | Cite: | A Glycopeptide Dendrimer Inhibitor of the Galactose Specific Lectin Leca and of Pseudomonas Aeruginosa Biofilms
Angew.Chem.Int.Ed.Engl., 50, 2011
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3ZYB
 | | CRYSTAL STRUCTURE OF PA-IL LECTIN COMPLEXED WITH GALAG0 AT 2.3 A RESOLUTION | | Descriptor: | CALCIUM ION, GALA-LYS-PRO-LEUNH2, P-HYDROXYBENZOIC ACID, ... | | Authors: | Kadam, R.U, Bergmann, M, Hurley, M, Garg, D, Cacciarini, M, Swiderska, M.A, Nativi, C, Sattler, M, Smyth, A.R, Williams, P, Camara, M, Stocker, A, Darbre, T, Reymond, J.-L. | | Deposit date: | 2011-08-19 | | Release date: | 2011-09-21 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | A Glycopeptide Dendrimer Inhibitor of the Galactose-Specific Lectin Leca and of Pseudomonas Aeruginosa Biofilms.
Angew.Chem.Int.Ed.Engl., 50, 2011
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3ZYF
 | | CRYSTAL STRUCTURE OF PA-IL LECTIN COMPLEXED WITH NPG AT 1.9 A RESOLUTION | | Descriptor: | 4-nitrophenyl beta-D-galactopyranoside, CALCIUM ION, PA-I GALACTOPHILIC LECTIN | | Authors: | Kadam, R.U, Bergmann, M, Hurley, M, Garg, D, Cacciarini, M, Swiderska, M.A, Nativi, C, Sattler, M, Smyth, A.R, Williams, P, Camara, M, Stocker, A, Darbre, T, Reymond, J.-L. | | Deposit date: | 2011-08-22 | | Release date: | 2011-09-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.944 Å) | | Cite: | A Glycopeptide Dendrimer Inhibitor of the Galactose-Specific Lectin Leca and of Pseudomonas Aeruginosa Biofilms.
Angew.Chem.Int.Ed.Engl., 50, 2011
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6CFG
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6CF7
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4LK6
 | | Crystal Structure of Pseudomonas aeruginosa Lectin LecA Complexed with Chlorophenol Red-b-D-galactopyranoside at 2.86 A Resolution | | Descriptor: | 2-[(E)-(3-chloro-4-hydroxyphenyl)(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid, CALCIUM ION, PA-I galactophilic lectin, ... | | Authors: | Kadam, R.U, Stocker, A, Reymond, J.L. | | Deposit date: | 2013-07-06 | | Release date: | 2013-10-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.859 Å) | | Cite: | CH-pi "T-Shape" Interaction with Histidine Explains Binding of Aromatic Galactosides to Pseudomonas aeruginosa Lectin LecA
Acs Chem.Biol., 8, 2013
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4LJH
 | | Crystal Structure of Pseudomonas aeruginosa Lectin LecA Complexed with 1-Methyl-3-indolyl-b-D-galactopyranoside at 1.45 A Resolution | | Descriptor: | 1-methyl-1H-indol-3-ol, CALCIUM ION, PA-I galactophilic lectin, ... | | Authors: | Kadam, R.U, Stocker, A, Reymond, J.L. | | Deposit date: | 2013-07-04 | | Release date: | 2013-10-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | CH-pi "T-Shape" Interaction with Histidine Explains Binding of Aromatic Galactosides to Pseudomonas aeruginosa Lectin LecA
Acs Chem.Biol., 8, 2013
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4LKE
 | | Crystal Structure of Pseudomonas aeruginosa Lectin LecA Complexed with GalA-WRI at 1.65 A Resolution | | Descriptor: | CALCIUM ION, P-HYDROXYBENZOIC ACID, PA-I galactophilic lectin, ... | | Authors: | Kadam, R.U, Stocker, A, Reymond, J.-L. | | Deposit date: | 2013-07-07 | | Release date: | 2013-12-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.653 Å) | | Cite: | Structure-Based Optimization of the Terminal Tripeptide in Glycopeptide Dendrimer Inhibitors of Pseudomonas aeruginosa Biofilms Targeting LecA.
Chemistry, 19, 2013
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4LK7
 | | Crystal Structure of Pseudomonas aeruginosa Lectin LecA Complexed with Resorufin-b-D-galactopyranoside at 1.76 A Resolution | | Descriptor: | 7-hydroxy-3H-phenoxazin-3-one, CALCIUM ION, PA-I galactophilic lectin, ... | | Authors: | Kadam, R.U, Stocker, A, Reymond, J.L. | | Deposit date: | 2013-07-06 | | Release date: | 2013-10-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.758 Å) | | Cite: | CH-pi "T-Shape" Interaction with Histidine Explains Binding of Aromatic Galactosides to Pseudomonas aeruginosa Lectin LecA
Acs Chem.Biol., 8, 2013
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4LKD
 | | Crystal Structure of Pseudomonas aeruginosa Lectin LecA Complexed with GalA-QRS at 2.31 A Resolution | | Descriptor: | CALCIUM ION, P-HYDROXYBENZOIC ACID, PA-I galactophilic lectin, ... | | Authors: | Kadam, R.U, Stocker, A, Reymond, J.-L. | | Deposit date: | 2013-07-07 | | Release date: | 2013-12-18 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.307 Å) | | Cite: | Structure-Based Optimization of the Terminal Tripeptide in Glycopeptide Dendrimer Inhibitors of Pseudomonas aeruginosa Biofilms Targeting LecA.
Chemistry, 19, 2013
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4LKF
 | | Crystal Structure of Pseudomonas aeruginosa Lectin LecA Complexed with GalA-WKY at 1.64 A Resolution | | Descriptor: | CALCIUM ION, P-HYDROXYBENZOIC ACID, PA-I galactophilic lectin, ... | | Authors: | Kadam, R.U, Stocker, A, Reymond, J.-L. | | Deposit date: | 2013-07-07 | | Release date: | 2013-12-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Structure-Based Optimization of the Terminal Tripeptide in Glycopeptide Dendrimer Inhibitors of Pseudomonas aeruginosa Biofilms Targeting LecA.
Chemistry, 19, 2013
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3DCQ
 | | LECB (PA-LII) in complex with the synthetic ligand 2G0 | | Descriptor: | (2S)-1-[(2S)-6-amino-2-({[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]acetyl}amino)hexanoyl]-N-[(1S)-1-carbamoyl-3-methylbutyl]pyrrolidine-2-carboxamide, CALCIUM ION, Fucose-binding lectin PA-IIL | | Authors: | Johansson, E.M, Crusz, S.A, Kolomiets, E, Buts, L, Kadam, R.U, Cacciarini, M, Bartels, K.M, Diggle, S.P, Camara, M, Williams, P, Loris, R, Nativi, C, Rosenau, F, Jaeger, K.E, Darbre, T, Reymond, J.L. | | Deposit date: | 2008-06-04 | | Release date: | 2009-01-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Inhibition and dispersion of Pseudomonas aeruginosa biofilms by glycopeptide dendrimers targeting the fucose-specific lectin LecB.
Chem.Biol., 15, 2008
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6CF5
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6CEX
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5W6T
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5W6I
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5W5S
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5W6R
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5W6U
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