5B5O

Crystal structure of the catalytic domain of MMP-13 complexed with N-phenyl-4-((4H-1,2,4-triazol-3-ylsulfanyl)methyl)-1,3-thiazol-2-amine

Summary for 5B5O

• Entry DOI: 10.2210/pdb5b5o/pdb
• Related: 3WV1 3WV2 3WV3 5B5P
• 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: 39837.75

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; PubMed: 27966948; DOI: 10.1021/acs.jmedchem.6b01007

Experimental method

X-RAY DIFFRACTION (1.2 Å)