5B5P

Crystal structure of the catalytic domain of MMP-13 complexed with 4-oxo-N-(3-(2-(1H-1,2,4-triazol-3-ylsulfanyl)ethoxy)benzyl)-3,4-dihydroquinazoline-2-carboxamide

Summary for 5B5P

Entry DOI	10.2210/pdb5b5p/pdb
Related	3WV1 3WV2 3WV3 5B5O
Descriptor	Collagenase 3, ZINC ION, CALCIUM ION, ... (5 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	40076.02
Authors	Oki, H.,Tanaka, Y. (deposition date: 2016-05-13, release date: 2017-01-18, Last modification date: 2023-11-08)
Primary citation	Nara, H.,Kaieda, A.,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 Matrix Metalloproteinase (MMP)-13 Inhibitors with a 1,2,4-Triazol-3-yl Moiety as a Zinc Binding Group Using a Structure-Based Design Approach J. Med. Chem., 60:608-626, 2017 Cited by PubMed: 27966948 DOI: 10.1021/acs.jmedchem.6b01007 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.6 Å)

Structure validation