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: 25264600DOI: 10.1021/jm500981k PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.98 Å) |
Structure validation
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