3WV2

Crystal structure of the catalytic domain of MMP-13 complexed with N-(3-methoxybenzyl)-4-oxo-3,4-dihydroquinazoline-2-carboxamide

Summary for 3WV2

Entry DOI	10.2210/pdb3wv2/pdb
Related	3WV1 3WV3
Descriptor	Collagenase 3, ZINC ION, CALCIUM ION, ... (6 entities in total)
Functional Keywords	hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Homo sapiens (human)
Cellular location	Secreted, extracellular space, extracellular matrix (Probable): P45452
Total number of polymer chains	2
Total formula weight	39557.33
Authors	Oki, H.,Tanaka, Y. (deposition date: 2014-05-12, release date: 2014-09-24, Last modification date: 2022-08-24)
Primary citation	Nara, H.,Sato, K.,Naito, T.,Mototani, H.,Oki, H.,Yamamoto, Y.,Kuno, H.,Santou, T.,Kanzaki, N.,Terauchi, J.,Uchikawa, O.,Kori, M. Thieno[2,3-d]pyrimidine-2-carboxamides bearing a carboxybenzene group at 5-position: highly potent, selective, and orally available MMP-13 inhibitors interacting with the S1′′ binding site. Bioorg.Med.Chem., 22:5487-5505, 2014 Cited by PubMed: 25192810 DOI: 10.1016/j.bmc.2014.07.025 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.3 Å)

Structure validation