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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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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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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8AIJ
 | | STRUCTURE OF THE LECB LECTIN FROM PSEUDOMONAS AERUGINOSA STRAIN PAO1 IN COMPLEX WITH N-(alpha-L-Fucopyranosyl)benzamide (6) | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Fucose-binding lectin PA-IIL, ... | | Authors: | Meiers, J, Mala, P, Varrot, A, Siebs, E, Imberty, A, Titz, A. | | Deposit date: | 2022-07-26 | | Release date: | 2022-11-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery of N -beta-l-Fucosyl Amides as High-Affinity Ligands for the Pseudomonas aeruginosa Lectin LecB.
J.Med.Chem., 65, 2022
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8AIY
 | | STRUCTURE OF THE LECB LECTIN FROM PSEUDOMONAS AERUGINOSA STRAIN PAO1 IN COMPLEX WITH N-(beta-L-Fucopyranosyl)-biphenyl-3-carboxamide (4i) | | Descriptor: | CALCIUM ION, Fucose-binding lectin PA-IIL, N-(beta-L-Fucopyranosyl)-biphenyl-3-carboxamide, ... | | Authors: | Meiers, J, Mala, P, Varrot, A, Siebs, E, Imberty, A, Titz, A. | | Deposit date: | 2022-07-27 | | Release date: | 2022-11-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Discovery of N -beta-l-Fucosyl Amides as High-Affinity Ligands for the Pseudomonas aeruginosa Lectin LecB.
J.Med.Chem., 65, 2022
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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
 | | 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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