9QQ2

Crystal structure of human carbonic anhydrase VII in complex with a benzenesulfonamide derivative containing the duloxetine moiety.

This is a non-PDB format compatible entry.

Summary for 9QQ2

• Entry DOI: 10.2210/pdb9qq2/pdb
• Descriptor: Carbonic anhydrase 7, ZINC ION, 1-methyl-1-[(3~{S})-3-naphthalen-1-yloxy-3-thiophen-2-yl-propyl]-3-[(4-sulfamoylphenyl)methyl]thiourea, ... (4 entities in total)
• Functional Keywords: protein-inhibitor complex, duloxetine, neuropathic pain, carbonic anhydrase vii, lyase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 31516.81

Authors

Di Fiore, A.,D'Ambrosio, K.,De Simone, G. (deposition date: 2025-03-31, release date: 2026-04-15)

• Primary citation: Angeli, A.,Rosi, G.,Micheli, L.,D'Ambrosio, K.,Di Fiore, A.,Ghelardini, C.,Di Cesare Mannelli, L.,Bartolucci, G.,Carta, F.,De Simone, G.,Papini, A.M.,Supuran, C.T.; Multimodal Neuropathic Pain Management: Novel Approaches Through Inhibition of the Carbonic Anhydrase Enzymes; To Be Published,

Experimental method

X-RAY DIFFRACTION (1.35 Å)