3WV1

Crystal structure of the catalytic domain of MMP-13 complexed with 4-(2-((6-fluoro-2-((3-methoxybenzyl)carbamoyl)-4-oxo-3,4-dihydroquinazolin-5-yl)oxy)ethyl)benzoic acid

Summary for 3WV1

Entry DOI	10.2210/pdb3wv1/pdb
Related	3WV2 3WV3
Descriptor	Collagenase 3, ZINC ION, CALCIUM ION, ... (7 entities in total)
Functional Keywords	mmp-13, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Homo sapiens (human)
Cellular location	Secreted, extracellular space, extracellular matrix : P45452
Total number of polymer chains	2
Total formula weight	40013.68
Authors	Oki, H.,Tanaka, Y. (deposition date: 2014-05-12, release date: 2015-05-20, Last modification date: 2024-03-20)
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. Discovery of novel, highly potent, and selective quinazoline-2-carboxamide-based matrix metalloproteinase (MMP)-13 inhibitors without a zinc binding group using a structure-based design approach J.Med.Chem., 57:8886-8902, 2014 Cited by PubMed: 25264600 DOI: 10.1021/jm500981k PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.98 Å)

Structure validation