5N5J

Human MMP12 in complex with 3-(5-(1,2-dithiolan-3-yl)pentanamido)propane-1-sulfonate

Summary for 5N5J

• Entry DOI: 10.2210/pdb5n5j/pdb
• Descriptor: Macrophage metalloelastase, ZINC ION, CALCIUM ION, ... (6 entities in total)
• Functional Keywords: mmp12, lipoic acid, inhibitor, hydrolase
• Biological source: Homo sapiens (Human)
• Cellular location: Secreted, extracellular space, extracellular matrix : P39900
• Total number of polymer chains: 1
• Total formula weight: 18138.08

Authors

Calderone, V. (deposition date: 2017-02-14, release date: 2017-11-01, Last modification date: 2024-01-17)

Primary citation

Fragai, M.,Comito, G.,Di Cesare Mannelli, L.,Gualdani, R.,Calderone, V.,Louka, A.,Richichi, B.,Francesconi, O.,Angeli, A.,Nocentini, A.,Gratteri, P.,Chiarugi, P.,Ghelardini, C.,Tadini-Buoninsegni, F.,Supuran, C.T.,Nativi, C.
Lipoyl-Homotaurine Derivative (ADM_12) Reverts Oxaliplatin-Induced Neuropathy and Reduces Cancer Cells Malignancy by Inhibiting Carbonic Anhydrase IX (CAIX).
J. Med. Chem., 60:9003-9011, 2017

PubMed Abstract: Oxaliplatin (OXA) is a valuable and largely used cancer drug which induces a serious and intractable neuropathy. The lipoyl-homotaurine derivative (ADM_12) reverts in vivo OXA-induced neuropathy, and it is an effective antagonist of the nociceptive sensor channel TRPA1. Unprecedentedly, this safe analgesic showed a synergy with OXA in vitro and proved to inhibit CA IX, a relevant therapeutic target, clearly interfering with pancreatic cancer cells' aggressiveness.

PubMed: 29048889
DOI: 10.1021/acs.jmedchem.7b01237

Experimental method

X-RAY DIFFRACTION (1.8 Å)