8C84
 
 | | Crystal structure of MADS-box/MEF2D N-terminal domain complex | | Descriptor: | DNA (5'-D(P*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*GP*A)-3'), DNA (5'-D(P*TP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*TP*T)-3'), MEF2D protein | | Authors: | Chinellato, M, Carli, A, Perin, S, Mazzoccato, Y, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L. | | Deposit date: | 2023-01-18 | | Release date: | 2024-01-31 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA.
J.Mol.Biol., 436, 2024
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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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3IBX
 | | Crystal structure of F47Y variant of TenA (HP1287) from Helicobacter pylori | | Descriptor: | Putative thiaminase II | | Authors: | Barison, N, Cendron, L, Trento, A, Angelini, A, Zanotti, G. | | Deposit date: | 2009-07-17 | | Release date: | 2009-11-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and mutational analysis of TenA protein (HP1287) from the Helicobacter pylori thiamin salvage pathway - evidence of a different substrate specificity.
Febs J., 276, 2009
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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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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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7OCJ
 | | Crystal structure of E.coli LexA in complex with nanobody NbSOS2(Nb14509) | | Descriptor: | 1,2-ETHANEDIOL, LexA repressor, NbSOS2 (14509) | | Authors: | Maso, L, Vascon, F, Chinellato, M, Pardon, E, Steyaert, J, Angelini, A, Tondi, D, Cendron, L. | | Deposit date: | 2021-04-27 | | Release date: | 2022-10-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Nanobodies targeting LexA autocleavage disclose a novel suppression strategy of SOS-response pathway.
Structure, 30, 2022
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7QFE
 | | Crystal structure of Human Serum albumin in complex with Gemfibrozil | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid, MYRISTIC ACID, ... | | Authors: | Liberi, S, Moro, G, Angelini, A, Cendron, L. | | Deposit date: | 2021-12-05 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Analysis of Human Serum Albumin in Complex with the Fibrate Drug Gemfibrozil.
Int J Mol Sci, 23, 2022
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6GWE
 | | Crystal structure of Thrombin bound to P2 macrocycle | | Descriptor: | (10S,14S,17R)-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Cendron, L, Angelini, A, Kale, S.S, Bergeron-Brlek, M, Wu, Y, Heinis, C. | | Deposit date: | 2018-06-23 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Thiol-to-amine cyclization reaction enables screening of large libraries of macrocyclic compounds and the generation of sub-kilodalton ligands.
Sci Adv, 5, 2019
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6VKG
 | | Human carbonic anhydrase IX mimic with Epacadostat bound | | Descriptor: | N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide, SULFATE ION, ZINC ION, ... | | Authors: | Peat, T.S, Carta, F, Supuran, C.T. | | Deposit date: | 2020-01-20 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | X-ray crystallography of Epacadostat in adduct with Carbonic Anhydrase IX.
Bioorg.Chem., 97, 2020
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5TFX
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8Q3U
 | | Crystal structure of a fentanyl derivative in complex with human CA VII | | Descriptor: | Carbonic anhydrase 7, GLYCEROL, ZINC ION, ... | | Authors: | Alterio, V, Di Fiore, A, De Simone, G. | | Deposit date: | 2023-08-04 | | Release date: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Discovery of a novel series of potent carbonic anhydrase inhibitors with selective affinity for mu Opioid receptor for Safer and long-lasting analgesia.
Eur.J.Med.Chem., 260, 2023
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6OE0
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6ODZ
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6OE1
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5N5K
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6PGX
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5N5J
 | | Human MMP12 in complex with 3-(5-(1,2-dithiolan-3-yl)pentanamido)propane-1-sulfonate | | Descriptor: | 3-[5-[(3~{S})-1,2-dithiolan-3-yl]pentanoylamino]propane-1-sulfonic acid, ACETOHYDROXAMIC ACID, CALCIUM ION, ... | | Authors: | Calderone, V. | | Deposit date: | 2017-02-14 | | Release date: | 2017-11-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Lipoyl-Homotaurine Derivative (ADM_12) Reverts Oxaliplatin-Induced Neuropathy and Reduces Cancer Cells Malignancy by Inhibiting Carbonic Anhydrase IX (CAIX).
J. Med. Chem., 60, 2017
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7NC4
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5N0E
 | | Crystal structure of human carbonic anhydrase II in complex with (S)-4-(6,7-dihydroxy-1-phenyl-3,4-tetrahydroisoquinoline-1H-2-carbonyl)benzenesulfonamide. | | Descriptor: | 4-[[(1~{S})-6,7-bis(oxidanyl)-1-phenyl-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | | Authors: | Di Fiore, A, De Simone, G. | | Deposit date: | 2017-02-02 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Probing Molecular Interactions between Human Carbonic Anhydrases (hCAs) and a Novel Class of Benzenesulfonamides.
J. Med. Chem., 60, 2017
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5N0D
 | | Crystal structure of human carbonic anhydrase II in complex with (R)-4-(6,7-dihydroxy-1-phenyl-3,4-tetrahydroisoquinoline-1H-2-carbonyl)benzenesulfonamide. | | Descriptor: | (R)-4-(6,7-dihydroxy-1-phenyl-3,4-tetrahydroisoquinoline-1H-2-carbonyl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Di Fiore, A, De Simone, G. | | Deposit date: | 2017-02-02 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Probing Molecular Interactions between Human Carbonic Anhydrases (hCAs) and a Novel Class of Benzenesulfonamides.
J. Med. Chem., 60, 2017
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7MU3
 | | human carbonic anhydrase 9 mimic with compound | | Descriptor: | Carbonic anhydrase 2, GLYCEROL, IMIDAZOLE, ... | | Authors: | Peat, T.S. | | Deposit date: | 2021-05-14 | | Release date: | 2021-08-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Privileged scaffolds in medicinal chemistry: Studies on pyrazolo[1,5-a]pyrimidines on sulfonamide containing Carbonic Anhydrase inhibitors.
Bioorg.Med.Chem.Lett., 49, 2021
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6WKA
 | | human carbonic anhydrase II bound to an inhibitor modified with azidothymidine | | Descriptor: | 3'-deoxy-3'-(4-{[(4-sulfamoylphenyl)amino]methyl}-1H-1,2,3-triazol-1-yl)thymidine, Carbonic anhydrase 2, ZINC ION | | Authors: | Peat, T.S. | | Deposit date: | 2020-04-15 | | Release date: | 2021-02-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Azidothymidine "Clicked" into 1,2,3-Triazoles: First Report on Carbonic Anhydrase-Telomerase Dual-Hybrid Inhibitors.
J.Med.Chem., 63, 2020
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8FQX
 | | Carbonic Anhydrase II in complex with the alkyl ureas 3g | | Descriptor: | 4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Combs, J.E, McKenna, R. | | Deposit date: | 2023-01-06 | | Release date: | 2023-02-01 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.496 Å) | | Cite: | New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Molecules, 28, 2023
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8FQZ
 | | Carbonic Anhydrase II in complex with the alkyl urea 3j | | Descriptor: | 4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Combs, J.C, McKenna, R. | | Deposit date: | 2023-01-06 | | Release date: | 2023-02-01 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.467 Å) | | Cite: | New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Molecules, 28, 2023
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