1ZTQ

Crystal structure of the catalytic domain of MMP-13 complexed with WAY-033

Summary for 1ZTQ

Entry DOI	10.2210/pdb1ztq/pdb
Descriptor	Collagenase 3, ZINC ION, CALCIUM ION, ... (5 entities in total)
Functional Keywords	mmps, metalloprotease, hydrolase, mmp-13, collagenase, zinc chelator, hydroxamate, hydrophobic s1', p1' group
Biological source	Homo sapiens (human)
Cellular location	Secreted, extracellular space, extracellular matrix (Probable): P45452
Total number of polymer chains	4
Total formula weight	77405.68
Authors	Wu, J.,Rush III, T.S.,Hotchandani, R.,Du, X.,Geck, M.,Collins, E.,Xu, Z.B.,Skotnicki, J.,Levin, J.I.,Lovering, F. (deposition date: 2005-05-27, release date: 2006-05-30, Last modification date: 2024-02-14)
Primary citation	Wu, J.,Rush III, T.S.,Hotchandani, R.,Du, X.,Geck, M.,Collins, E.,Xu, Z.B.,Skotnicki, J.,Levin, J.I.,Lovering, F.E. Identification of potent and selective MMP-13 inhibitors Bioorg.Med.Chem.Lett., 15:4105-4109, 2005 Cited by PubMed Abstract: A potent, selective series of MMP-13 inhibitors has been derived from a weak (3.2 microM) inhibitor that did not bear a zinc chelator. Structure-based drug design strategies were employed to append a Zn-chelating group to one end of the molecule and functionality to enhance selectivity to the other. A compound from this series demonstrated rat oral bioavailability and efficacy in a bovine articular cartilage explant model. PubMed: 16005220 DOI: 10.1016/j.bmcl.2005.06.019 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2 Å)

Structure validation