4A7B

MMP13 IN COMPLEX WITH A NOVEL SELECTIVE NON ZINC BINDING INHIBITOR CMPD22

Summary for 4A7B

Entry DOI	10.2210/pdb4a7b/pdb
Related	1EUB 1FLS 1FM1 1PEX 1UC1 1XUC 1XUD 1XUR 1YOU 1ZTQ 2D1N 2YIG 3ZXH 456C 830C
Descriptor	COLLAGENASE 3, N-[(3S)-1,1-dioxidotetrahydro-2H-thiopyran-3-yl]-4-(4-{[(3S)-3-hydroxy-1-azabicyclo[2.2.2]oct-3-yl]ethynyl}phenoxy)benzamide, ACETOHYDROXAMIC ACID, ... (9 entities in total)
Functional Keywords	hydrolase
Biological source	HOMO SAPIENS (HUMAN)
Cellular location	Secreted, extracellular space, extracellular matrix : P45452
Total number of polymer chains	2
Total formula weight	39839.79
Authors	Hargreaves, D.,Gerhardt, S. (deposition date: 2011-11-11, release date: 2011-12-21, Last modification date: 2018-04-04)
Primary citation	De Savi, C.,Morley, A.D.,Nash, I.,Karoutchi, G.,Page, K.,Ting, A.,Gerhardt, S. Lead Optimisation of Selective Non-Zinc Binding Inhibitors of Mmp13. Part 2. Bioorg.Med.Chem.Lett., 22:271-, 2012 Cited by PubMed: 22153941 DOI: 10.1016/J.BMCL.2011.11.034 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.2 Å)

Structure validation