4YWA
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![BU of 4ywa by Molmil](/molmil-images/mine/4ywa) | Structural Insight into Divalent Galactoside Binding to Pseudomonas aeruginosa lectin LecA | Descriptor: | (2R,3R,4S,5R,6R,2'R,3'R,4'S,5'R,6'R)-2,2'-([(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]bis{1H-1,2,3-triazole-1,4-diyl[(2S,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]-1H-1,2,3-triazole-1,4-diylmethanediyloxy})bis[6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol], CALCIUM ION, PA-I galactophilic lectin | Authors: | Visini, R, Jin, X, Michaud, G, Bergmann, M, Gillon, E, Imberty, A, Stocker, A, Darbre, T, Pieters, R, Reymond, J.-L. | Deposit date: | 2015-03-20 | Release date: | 2015-09-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.192 Å) | Cite: | Structural Insight into Multivalent Galactoside Binding to Pseudomonas aeruginosa Lectin LecA. Acs Chem.Biol., 10, 2015
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8GUV
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![BU of 8guv by Molmil](/molmil-images/mine/8guv) | LecA from Pseudomonas aeruginosa in complex with tolcapone (CAS: 134308-13-7) | Descriptor: | CALCIUM ION, PA-I galactophilic lectin, Tolcapone | Authors: | Kuhaudomlarp, S, Siebs, E, Varrot, A, Imberty, A, Titz, A. | Deposit date: | 2022-09-13 | Release date: | 2023-07-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | LecA from Pseudomonas aeruginosa in complex with tolcapone (CAS: 134308-13-7) To Be Published
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4YW6
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![BU of 4yw6 by Molmil](/molmil-images/mine/4yw6) | Structural Insight into Divalent Galactoside Binding to Pseudomonas aeruginosa lectin LecA | Descriptor: | CALCIUM ION, N-[(2S)-6-amino-1-oxo-1-(pyrrolidin-1-yl)hexan-2-yl]-4-(beta-D-galactopyranosyloxy)benzamide, PA-I galactophilic lectin | Authors: | Visini, R, Jin, X, Michaud, G, Bergmann, M, Gillon, E, Imberty, A, Stocker, A, Darbre, T, Pieters, R, Reymond, J.-L. | Deposit date: | 2015-03-20 | Release date: | 2015-09-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural Insight into Multivalent Galactoside Binding to Pseudomonas aeruginosa Lectin LecA. Acs Chem.Biol., 10, 2015
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4LJH
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![BU of 4ljh by Molmil](/molmil-images/mine/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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1L7L
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![BU of 1l7l by Molmil](/molmil-images/mine/1l7l) | Crystal structure of Pseudomonas aeruginosa lectin 1 determined by single wavelength anomalous scattering phasing method | Descriptor: | CALCIUM ION, PA-I galactophilic lectin | Authors: | Liu, Z.J, Tempel, W, Lin, D, Karaveg, K, Doyle, R.J, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2002-03-15 | Release date: | 2002-12-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure determination of P. aeruginosa lectin-1 using single
wavelength anomalous scattering data from native crystals (P028) AM.CRYST.ASSOC.,ABSTR.PAPERS (ANNUAL MEETING), 29, 2002
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7FIO
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![BU of 7fio by Molmil](/molmil-images/mine/7fio) | LecA from Pseudomonas aeruginosa in complex with a synthetic monovalent galactosidic inhibitor | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, N-[2-[4-[(2S)-3-(2-hydroxyethylamino)-3-oxidanylidene-2-(2-phenoxyethanoylamino)propyl]-1,2,3-triazol-1-yl]ethyl]-4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-benzamide, ... | Authors: | Kuhaudomlarp, S, Siebs, E, da Silva Figueiredo Celestino Gomes, P, Fortin, C, Rognan, D, Rademacher, C, Imberty, A, Titz, A. | Deposit date: | 2021-07-31 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Targeting the Central Pocket of the Pseudomonas aeruginosa Lectin LecA. Chembiochem, 23, 2022
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3ZYH
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![BU of 3zyh by Molmil](/molmil-images/mine/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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7Z62
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![BU of 7z62 by Molmil](/molmil-images/mine/7z62) | Structure of the LecA lectin from Pseudomonas aeruginosa in complex with a biaryl-thiogalactoside | Descriptor: | (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[1-(4-methoxyphenyl)ethenyl]phenyl]sulfanyl-oxane-3,4,5-triol, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Varrot, A. | Deposit date: | 2022-03-10 | Release date: | 2023-01-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Discovery of potent 1,1-diarylthiogalactoside glycomimetic inhibitors of Pseudomonas aeruginosa LecA with antibiofilm properties. Eur.J.Med.Chem., 247, 2022
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4CPB
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![BU of 4cpb by Molmil](/molmil-images/mine/4cpb) | CRYSTAL STRUCTURE OF LECA IN COMPLEX WITH A DIVALENT GALACTOSIDE AT 1. 57 ANGSTROM IN MAGNESIUM | Descriptor: | (4S)-N-ethyl-4-{[N-methyl-3-(1-{2-[(4-sulfanylbenzoyl)amino]ethyl}-1H-1,2,3-triazol-4-yl)-L-alanyl]amino}-L-prolinamide, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Topin, J, Varrot, A, Imberty, A, Wissinger, N. | Deposit date: | 2014-02-04 | Release date: | 2014-10-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | A Leca Ligand Identified from a Galactoside-Conjugate Array Inhibits Host Cell Invasion by Pseudomonas Aeruginosa. Angew.Chem.Int.Ed.Engl., 53, 2014
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1OKO
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![BU of 1oko by Molmil](/molmil-images/mine/1oko) | Crystal structure of Pseudomonas Aeruginosa Lectin 1 complexed with galactose at 1.6 A resolution | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, PA-I GALACTOPHILIC LECTIN, ... | Authors: | Cioci, G, Mitchell, E, Gautier, C, Wimmerova, M, Perez, S, Gilboa-Garber, N, Imberty, A. | Deposit date: | 2003-07-28 | Release date: | 2003-12-04 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Basis of Calcium and Galactose Recognition by the Lectin Pa-Il of Pseudomonas Aeruginosa FEBS Lett., 555, 2003
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4LKF
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![BU of 4lkf by Molmil](/molmil-images/mine/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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4CP9
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![BU of 4cp9 by Molmil](/molmil-images/mine/4cp9) | Crystal structure OF lecA lectin complexed with a divalent galactoside at 1.65 angstrom | Descriptor: | (4S)-N-ethyl-4-{[N-methyl-3-(1-{2-[(4-sulfanylbenzoyl)amino]ethyl}-1H-1,2,3-triazol-4-yl)-L-alanyl]amino}-L-prolinamide, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Topin, J, Varrot, A, Imberty, A, Wissinger, N. | Deposit date: | 2014-02-04 | Release date: | 2014-10-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | A Leca Ligand Identified from a Galactoside-Conjugate Array Inhibits Host Cell Invasion by Pseudomonas Aeruginosa. Angew.Chem.Int.Ed.Engl., 53, 2014
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4LKE
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![BU of 4lke by Molmil](/molmil-images/mine/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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7Z63
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![BU of 7z63 by Molmil](/molmil-images/mine/7z63) | |
4AL9
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![BU of 4al9 by Molmil](/molmil-images/mine/4al9) | Crystal structure of the lectin PA-IL from Pseudomonas aeruginoas in complex with melibiose | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, PA-I GALACTOPHILIC LECTIN, ... | Authors: | Blanchard, B, Imberty, A, Varrot, A. | Deposit date: | 2012-03-02 | Release date: | 2013-03-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Secondary Sugar Binding Site Identified for Leca Lectin from Pseudomonas Aeruginosa. Proteins, 82, 2014
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4LK7
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![BU of 4lk7 by Molmil](/molmil-images/mine/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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7FJH
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![BU of 7fjh by Molmil](/molmil-images/mine/7fjh) | LecA from Pseudomonas aeruginosa in complex with 4-Phenylbutyryl hydroxamic acid (CAS: 32153-46-1) | Descriptor: | CALCIUM ION, N-oxidanyl-4-phenyl-butanamide, PA-I galactophilic lectin | Authors: | Shanina, S, Kuhaudomlarp, S, Siebs, E, Fuchsberger, F, Denis, M, da Silva Figueiredo Celstino Gomes, P, Clausen, M.H, Seeberger, P.H, Rognan, D, Titz, A, Imberty, A, Rademacher, C. | Deposit date: | 2021-08-04 | Release date: | 2022-06-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Targeting undruggable carbohydrate recognition sites through focused fragment library design. Commun Chem, 5, 2022
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5MIH
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![BU of 5mih by Molmil](/molmil-images/mine/5mih) | Crystal structure of the lectin LecA from Pseudomonas aeruginosa in complex with a phenyl-epoxy-galactopyranoside | Descriptor: | 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CALCIUM ION, PA-I galactophilic lectin, ... | Authors: | Wagner, S, Hauk, D, Hofmann, M, Joachim, I, Sommer, R, Muller, R, Imberty, A, Varrot, A, Titz, A. | Deposit date: | 2016-11-28 | Release date: | 2017-10-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Covalent Lectin Inhibition and Application in Bacterial Biofilm Imaging. Angew. Chem. Int. Ed. Engl., 56, 2017
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4YW7
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![BU of 4yw7 by Molmil](/molmil-images/mine/4yw7) | Structural Insight into Divalent Galactoside Binding to Pseudomonas aeruginosa lectin LecA | Descriptor: | (2R,3R,4S,5R,6R,2'R,3'R,4'S,5'R,6'R)-2,2'-([(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]bis{1H-1,2,3-triazole-1,4-diyl[(2S,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]-1H-1,2,3-triazole-1,4-diylpropane-3,1-diyloxy})bis[6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol], CALCIUM ION, PA-I galactophilic lectin, ... | Authors: | Visini, R, Jin, X, Michaud, G, Bergmann, M, Gillon, E, Imberty, A, Stocker, A, Darbre, T, Pieters, R, Reymond, J.-L. | Deposit date: | 2015-03-20 | Release date: | 2015-09-09 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structural Insight into Multivalent Galactoside Binding to Pseudomonas aeruginosa Lectin LecA. Acs Chem.Biol., 10, 2015
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6YO3
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![BU of 6yo3 by Molmil](/molmil-images/mine/6yo3) | LecA from Pseudomonas aeruginosa in complex with a catechol CAS no. 67984-81-0 | Descriptor: | 1,2-ETHANEDIOL, 2,3-bis(oxidanyl)benzenecarbonitrile, CALCIUM ION, ... | Authors: | Kuhaudomlarp, S, Imberty, A, Titz, A. | Deposit date: | 2020-04-14 | Release date: | 2020-12-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Non-Carbohydrate Glycomimetics as Inhibitors of Calcium(II)-Binding Lectins. Angew.Chem.Int.Ed.Engl., 60, 2021
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6YOH
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![BU of 6yoh by Molmil](/molmil-images/mine/6yoh) | LecA from Pseudomonas aeruginosa in complex with a catechol CAS no. 61445-50-9 | Descriptor: | CALCIUM ION, PA-I galactophilic lectin, [2,4-bis(oxidanyl)phenyl]-[3,4-bis(oxidanyl)phenyl]methanone | Authors: | Kuhaudomlarp, S, Imberty, A, Titz, A, Varrot, A. | Deposit date: | 2020-04-14 | Release date: | 2021-02-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Non-Carbohydrate Glycomimetics as Inhibitors of Calcium(II)-binding Lectins. Angew.Chem.Int.Ed.Engl., 2020
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5D21
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![BU of 5d21 by Molmil](/molmil-images/mine/5d21) | Multivalency Effects in Glycopeptide Dendrimer Inhibitors of Pseudomonas aeruginosa Biofilms Targeting Lectin LecA | Descriptor: | CALCIUM ION, LecA, phenyl beta-D-galactopyranoside | Authors: | Bergmann, M, Michaud, G, Visini, R, Jin, X, Stocker, A, Darbre, T, Reymond, J.-L. | Deposit date: | 2015-08-05 | Release date: | 2015-11-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Multivalency effects on Pseudomonas aeruginosa biofilm inhibition and dispersal by glycopeptide dendrimers targeting lectin LecA. Org.Biomol.Chem., 14, 2016
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2VXJ
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![BU of 2vxj by Molmil](/molmil-images/mine/2vxj) | CRYSTAL STRUCTURE OF PA-IL LECTIN COMPLEXED WITH AGAL13BGAL14GLC AT 1.9 A RESOLUTION | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, PA-I GALACTOPHILIC LECTIN, ... | Authors: | Blanchard, B, Nurisso, A, Hollville, E, Tetaud, C, Wiels, J, Pokorna, M, Wimmerova, M, Varrot, A, Imberty, A. | Deposit date: | 2008-07-04 | Release date: | 2008-09-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Basis of the Preferential Binding for Globo-Series Glycosphingolipids Displayed by Pseudomonas Aeruginosa Lectin I. J.Mol.Biol., 383, 2008
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3ZYF
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![BU of 3zyf by Molmil](/molmil-images/mine/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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4A6S
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![BU of 4a6s by Molmil](/molmil-images/mine/4a6s) | Structure of the PAIL lectin from Pseudomonas aeruginosa in complex with 2-Naphtyl-1-thio-beta-D-galactopyranoside | Descriptor: | CALCIUM ION, PA-I GALACTOPHILIC LECTIN, naphthalen-2-yl 1-thio-beta-D-galactopyranoside | Authors: | Rodrigue, J, Ganne, G, Blanchard, B, Saucier, C, Giguere, D, Chiao, T.S, Varrot, A, Imberty, A, Roy, R. | Deposit date: | 2011-11-08 | Release date: | 2012-10-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Aromatic Thioglycoside Inhibitors Against the Virulence Factor Leca from Pseudomonas Aeruginosa. Org.Biomol.Chem., 11, 2013
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