8OI2
| Crystal structure of Alb1 megabody in complex with human serum albumin | Descriptor: | Alb1 Megabody, Albumin | Authors: | De Felice, S, Zoia, G, Romanyuk, Z, Pardon, E, Steyaert, J, Angelini, A, Cendron, L. | Deposit date: | 2023-03-22 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Crystal structure of human serum albumin in complex with megabody reveals unique human and murine cross-reactive binding site. Protein Sci., 33, 2024
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7O0T
| Crystal structure of Chloroflexus aggregans ene-reductase CaOYE holoenzyme | Descriptor: | FLAVIN MONONUCLEOTIDE, MALONATE ION, NADH:flavin oxidoreductase/NADH oxidase | Authors: | Robescu, M.S, Niero, M, Loprete, G, Bergantino, E, Cendron, L. | Deposit date: | 2021-03-26 | Release date: | 2021-05-05 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A New Thermophilic Ene-Reductase from the Filamentous Anoxygenic Phototrophic Bacterium Chloroflexus aggregans . Microorganisms, 9, 2021
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5M98
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3BSZ
| Crystal structure of the transthyretin-retinol binding protein-Fab complex | Descriptor: | Fab fragment heavy chain, Fab fragment light chain, Plasma retinol-binding protein, ... | Authors: | Zanotti, G, Cendron, L, Gliubich, F, Folli, C, Berni, R. | Deposit date: | 2007-12-27 | Release date: | 2008-11-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.38 Å) | Cite: | Structural and mutational analyses of protein-protein interactions between transthyretin and retinol-binding protein. Febs J., 275, 2008
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7B5G
| Crystal structure of E.coli LexA in complex with nanobody NbSOS3(Nb14527) | Descriptor: | 1,2-ETHANEDIOL, LexA repressor, Nanobody Nb14527, ... | Authors: | Maso, L, Vascon, F, Chinellato, M, Pardon, E, Steyaert, J, Angelini, A, Tondi, D, Cendron, L. | Deposit date: | 2020-12-03 | Release date: | 2022-09-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Nanobodies targeting LexA autocleavage disclose a novel suppression strategy of SOS-response pathway. Structure, 30, 2022
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7AAI
| Crystal structure of Human serum albumin in complex with perfluorooctanoic acid (PFOA) at 2.10 Angstrom Resolution | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ... | Authors: | Maso, L, Liberi, S, Trande, M, Angelini, A, Cendron, L. | Deposit date: | 2020-09-04 | Release date: | 2021-02-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Unveiling the binding mode of perfluorooctanoic acid to human serum albumin. Protein Sci., 30, 2021
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7AAE
| Crystal structure of Human serum albumin in complex with myristic acid at 2.27 Angstrom Resolution | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Albumin, FORMIC ACID, ... | Authors: | Maso, L, Liberi, S, Trande, M, Angelini, A, Cendron, L. | Deposit date: | 2020-09-04 | Release date: | 2021-02-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Unveiling the binding mode of perfluorooctanoic acid to human serum albumin. Protein Sci., 30, 2021
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4ZZK
| Crystal structure of truncated FlgD (monoclinic form) from the human pathogen Helicobacter pylori | Descriptor: | Basal-body rod modification protein FlgD | Authors: | Pulic, I, Cendron, L, Salamina, M, Matkovic-Calogovic, D, Zanotti, G. | Deposit date: | 2015-05-22 | Release date: | 2016-02-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal structure of truncated FlgD from the human pathogen Helicobacter pylori. J.Struct.Biol., 194, 2016
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4ZZF
| Crystal structure of truncated FlgD (tetragonal form) from the human pathogen Helicobacter pylori | Descriptor: | Flagellar basal body rod modification protein | Authors: | Pulic, I, Cendron, L, Salamina, M, Matkovic-Calogovic, D, Zanotti, G. | Deposit date: | 2015-05-22 | Release date: | 2016-02-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1673 Å) | Cite: | Crystal structure of truncated FlgD from the human pathogen Helicobacter pylori. J.Struct.Biol., 194, 2016
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5MGI
| Crystal structure of KPC-2 carbapenemase in complex with a phenyl boronic inhibitor. | Descriptor: | (~{E})-3-[2-(dihydroxyboranyl)phenyl]prop-2-enoic acid, Carbapenem-hydrolyzing beta-lactamase KPC | Authors: | Vicario, M, Celenza, G, Bellio, P, Perilli, M.G, Tondi, D, Cendron, L. | Deposit date: | 2016-11-21 | Release date: | 2018-03-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Phenylboronic Acid Derivatives as Validated Leads Active in Clinical Strains Overexpressing KPC-2: A Step against Bacterial Resistance. Chemmedchem, 13, 2018
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5LL1
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4I89
| Crystal structure of transthyretin in complex with diflunisal at acidic pH | Descriptor: | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID, Transthyretin | Authors: | Zanotti, G, Cendron, L, Folli, C, Florio, P, Imbimbo, B.P, Berni, R. | Deposit date: | 2012-12-03 | Release date: | 2013-06-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Structural evidence for native state stabilization of a conformationally labile amyloidogenic transthyretin variant by fibrillogenesis inhibitors. Febs Lett., 587, 2013
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6Z48
| Crystal structure of Thrombin in complex with macrocycle X1vE | Descriptor: | 5-chloranyl-N-[[(4S,15R)-2,5,13,16-tetrakis(oxidanylidene)-15-propan-2-yl-9,10-dithia-3,6,14,17-tetrazabicyclo[17.3.1]tricosa-1(22),19(23),20-trien-4-yl]methyl]thiophene-2-carboxamide, SODIUM ION, Thrombin heavy chain, ... | Authors: | Angelini, A, Habeshian, S, Heinis, C, Cendron, L. | Deposit date: | 2020-05-23 | Release date: | 2022-06-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Synthesis and direct assay of large macrocycle diversities by combinatorial late-stage modification at picomole scale. Nat Commun, 13, 2022
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8B20
| NDM-1 metallo-beta-lactamase in complex with triazole-based inhibitor CP57 | Descriptor: | 1,2-ETHANEDIOL, 2-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Vascon, F, Lazzarato, L, Bersani, M, Gianquinto, E, Docquier, J.D, Spyrakis, F, Tondi, D, Cendron, L. | Deposit date: | 2022-09-12 | Release date: | 2023-12-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structure-Based Optimization of 1,2,4-Triazole-3-Thione Derivatives: Improving Inhibition of NDM-/VIM-Type Metallo-beta-Lactamases and Synergistic Activity on Resistant Bacteria. Pharmaceuticals, 16, 2023
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8B1Z
| NDM-1 metallo-beta-lactamase in complex with triazole-based inhibitor CP56 | Descriptor: | 1,2-ETHANEDIOL, 3-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Vascon, F, Lazzarato, L, Bersani, M, Gianquinto, E, Docquier, J.D, Spyrakis, F, Tondi, D, Cendron, L. | Deposit date: | 2022-09-12 | Release date: | 2023-12-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Based Optimization of 1,2,4-Triazole-3-Thione Derivatives: Improving Inhibition of NDM-/VIM-Type Metallo-beta-Lactamases and Synergistic Activity on Resistant Bacteria. Pharmaceuticals, 16, 2023
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8B1W
| NDM-1 metallo-beta-lactamase in complex with triazole-based inhibitor CP35 | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-[(~{E})-(3-bromophenyl)methylideneamino]-5-(trifluoromethyl)-1,2,4-triazole-3-thiol, ... | Authors: | Vascon, F, Lazzarato, L, Bersani, M, Gianquinto, E, Docquier, J.D, Spyrakis, F, Tondi, D, Cendron, L. | Deposit date: | 2022-09-12 | Release date: | 2023-12-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-Based Optimization of 1,2,4-Triazole-3-Thione Derivatives: Improving Inhibition of NDM-/VIM-Type Metallo-beta-Lactamases and Synergistic Activity on Resistant Bacteria. Pharmaceuticals, 16, 2023
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4I87
| Crystal structure of TTR variant I84S in complex with CHF5074 at acidic pH | Descriptor: | 1-(3',4'-dichloro-2-fluorobiphenyl-4-yl)cyclopropanecarboxylic acid, Transthyretin | Authors: | Zanotti, G, Cendron, L, Folli, C, Florio, P, Imbimbo, B.P, Berni, R. | Deposit date: | 2012-12-03 | Release date: | 2013-06-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Structural evidence for native state stabilization of a conformationally labile amyloidogenic transthyretin variant by fibrillogenesis inhibitors. Febs Lett., 587, 2013
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7ZRA
| Crystal structure of E.coli LexA in complex with nanobody NbSOS1(Nb14497) | Descriptor: | 1,2-ETHANEDIOL, LexA repressor, Nanobody NbSOS1 (Nb14497) | Authors: | Maso, L, Vascon, F, Chinellato, M, Pardon, E, Steyaert, J, Angelini, A, Tondi, D, Cendron, L. | Deposit date: | 2022-05-04 | Release date: | 2022-10-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Nanobodies targeting LexA autocleavage disclose a novel suppression strategy of SOS-response pathway. Structure, 30, 2022
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4I85
| Crystal structure of transthyretin in complex with CHF5074 at neutral pH | Descriptor: | 1-(3',4'-dichloro-2-fluorobiphenyl-4-yl)cyclopropanecarboxylic acid, Transthyretin | Authors: | Zanotti, G, Cendron, L, Folli, C, Florio, P, Imbimbo, B.P, Berni, R. | Deposit date: | 2012-12-03 | Release date: | 2013-06-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structural evidence for native state stabilization of a conformationally labile amyloidogenic transthyretin variant by fibrillogenesis inhibitors. Febs Lett., 587, 2013
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3HPE
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8A76
| Metallo-beta-lactamase NDM-1 in complex with 1,2,4-Triazole-3-thione compound 26 | Descriptor: | (2~{S})-2-[bis(pyridin-2-ylmethyl)amino]-5-(3-phenyl-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl)pentanoic acid, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Vascon, F, Legru, A, Hernandez, J.F, Cendron, L. | Deposit date: | 2022-06-20 | Release date: | 2022-12-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Optimization of 1,2,4-Triazole-3-thiones toward Broad-Spectrum Metallo-beta-lactamase Inhibitors Showing Potent Synergistic Activity on VIM- and NDM-1-Producing Clinical Isolates. J.Med.Chem., 65, 2022
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5K5Y
| Crystal structure of truncated FlgD (monoclinic form) from the human pathogen Helicobacter pylori (strain 26695) | Descriptor: | Basal-body rod modification protein FlgD | Authors: | Kekez, I, Cendron, L, Stojanovic, M, Zanotti, G, Matkovic-Calogovic, D. | Deposit date: | 2016-05-24 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structure and Stability of FlgD from the Pathogenic 26695 Strain of Helicobacter pylori Croatica Chemica Acta, 2016
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5LL7
| Crystal structure of KPC-2 carbapenemase in complex with a phenyl boronic inhibitor. | Descriptor: | (~{E})-3-[2-(dihydroxyboranyl)phenyl]prop-2-enoic acid, 1,2-ETHANEDIOL, Beta-lactamase | Authors: | Vicario, M, Celenza, G, Bellio, P, Perilli, M.G, Tondi, D, Cendron, L. | Deposit date: | 2016-07-26 | Release date: | 2018-02-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Phenylboronic Acid Derivatives as Validated Leads Active in Clinical Strains Overexpressing KPC-2: A Step against Bacterial Resistance. Chemmedchem, 13, 2018
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6TGD
| Crystal structure of NDM-1 in complex with triazole-based inhibitor OP31 | Descriptor: | 4-[[(2~{S})-oxolan-2-yl]methyl]-3-pyridin-3-yl-1~{H}-1,2,4-triazole-5-thione, CALCIUM ION, Metallo-beta-lactamase NDM-1, ... | Authors: | Maso, L, Spirakis, F, Santucci, M, Simon, C, Docquier, J.D, Cruciani, G, Costi, M.P, Tondi, D, Cendron, L. | Deposit date: | 2019-11-15 | Release date: | 2020-08-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Virtual screening identifies broad-spectrum beta-lactamase inhibitors with activity on clinically relevant serine- and metallo-carbapenemases. Sci Rep, 10, 2020
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3TLM
| Crystal Structure of Endoplasmic Reticulum Ca2+-ATPase (SERCA) From Bovine Muscle | Descriptor: | CALCIUM ION, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | Authors: | Sacchetto, R, Bertipaglia, I, Giannetti, S, Cendron, L, Mascarello, F, Damiani, E, Carafoli, E, Zanotti, G. | Deposit date: | 2011-08-30 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Crystal structure of sarcoplasmic reticulum Ca(2+)-ATPase (SERCA) from bovine muscle. J.Struct.Biol., 178, 2012
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