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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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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1EJO
 | | FAB FRAGMENT OF NEUTRALISING MONOCLONAL ANTIBODY 4C4 COMPLEXED WITH G-H LOOP FROM FMDV. | | Descriptor: | FMDV PEPTIDE, IGG2A MONOCLONAL ANTIBODY (HEAVY CHAIN), IGG2A MONOCLONAL ANTIBODY (LIGHT CHAIN) | | Authors: | Ochoa, W.F, Kalko, S.G, Gomes, P, Fita, I, Verdaguer, N. | | Deposit date: | 2000-03-03 | | Release date: | 2000-03-22 | | Last modified: | 2018-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A multiply substituted G-H loop from foot-and-mouth disease virus in complex with a neutralizing antibody: a role for water molecules.
J.Gen.Virol., 81, 2000
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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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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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6TKH
 | | Tsetse thrombin inhibitor in complex with human alpha-thrombin - orthorhombic form at 7keV | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SODIUM ION, ... | | Authors: | Calisto, B.M, Ripoll-Rozada, J, de Sanctis, D, Pereira, P.J.B. | | Deposit date: | 2019-11-28 | | Release date: | 2020-11-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Sulfotyrosine-Mediated Recognition of Human Thrombin by a Tsetse Fly Anticoagulant Mimics Physiological Substrates.
Cell Chem Biol, 28, 2021
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6TKL
 | | Non-cleavable tsetse thrombin inhibitor in complex with human alpha-thrombin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Prothrombin, ... | | Authors: | Calisto, B.M, Ripoll-Rozada, J, de Sanctis, D, Pereira, P.J.B. | | Deposit date: | 2019-11-28 | | Release date: | 2020-11-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Sulfotyrosine-Mediated Recognition of Human Thrombin by a Tsetse Fly Anticoagulant Mimics Physiological Substrates.
Cell Chem Biol, 28, 2021
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6TKI
 | | Tsetse thrombin inhibitor in complex with human alpha-thrombin - tetragonal form at 12.7keV | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Thrombin heavy chain, ... | | Authors: | Calisto, B.M, Ripoll-Rozada, J, de Sanctis, D, Pereira, P.J.B. | | Deposit date: | 2019-11-28 | | Release date: | 2020-11-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Sulfotyrosine-Mediated Recognition of Human Thrombin by a Tsetse Fly Anticoagulant Mimics Physiological Substrates.
Cell Chem Biol, 28, 2021
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6TKG
 | | Tsetse thrombin inhibitor in complex with human alpha-thrombin - orthorhombic form at 12keV | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Prothrombin, ... | | Authors: | Calisto, B.M, Ripoll-Rozada, J, de Sanctis, D, Pereira, P.J.B. | | Deposit date: | 2019-11-28 | | Release date: | 2020-11-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Sulfotyrosine-Mediated Recognition of Human Thrombin by a Tsetse Fly Anticoagulant Mimics Physiological Substrates.
Cell Chem Biol, 28, 2021
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6TKJ
 | | Tsetse thrombin inhibitor in complex with human alpha-thrombin - tetragonal form at 7keV | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Thrombin heavy chain, Thrombin light chain, ... | | Authors: | Calisto, B.M, Ripoll-Rozada, J, de Sanctis, D, Pereira, P.J.B. | | Deposit date: | 2019-11-28 | | Release date: | 2020-11-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Sulfotyrosine-Mediated Recognition of Human Thrombin by a Tsetse Fly Anticoagulant Mimics Physiological Substrates.
Cell Chem Biol, 28, 2021
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