8BOE

Human Carbonic Anhydrase I in complex with (S)-4-(3-(1-(6-nitropyridin-2-yl)pyrrolidin-3-yl)thioureido)benzenesulfonamide

This is a non-PDB format compatible entry.

Summary for 8BOE

• Entry DOI: 10.2210/pdb8boe/pdb
• Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ... (5 entities in total)
• Functional Keywords: carbonic anhydrase ii, metalloenzyme, inhibitor, sulfonamide, lyase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 29869.05

Authors

Angeli, A.,Ferraroni, M. (deposition date: 2022-11-15, release date: 2023-11-29, Last modification date: 2024-06-12)

• Primary citation: Angeli, A.,Micheli, L.,Carta, F.,Ferraroni, M.,Pirali, T.,Fernandez Carvajal, A.,Ferrer Montiel, A.,Di Cesare Mannelli, L.,Ghelardini, C.,Supuran, C.T.; First-in-Class Dual Hybrid Carbonic Anhydrase Inhibitors and Transient Receptor Potential Vanilloid 1 Agonists Revert Oxaliplatin-Induced Neuropathy.; J.Med.Chem., 66:1616-1633, 2023; PubMed: 36626645; DOI: 10.1021/acs.jmedchem.2c01911

Experimental method

X-RAY DIFFRACTION (1.55 Å)