2YIG
MMP13 in complex with a novel selective non zinc binding inhibitor
Summary for 2YIG
Entry DOI | 10.2210/pdb2yig/pdb |
Related | 1EUB 1FLS 1FM1 1PEX 1UC1 1XUC 1XUD 1XUR 1YOU 1ZTQ 2D1N 456C 830C |
Descriptor | COLLAGENASE 3, 4-(4-{[(3S)-3-HYDROXY-1-AZABICYCLO[2.2.2]OCT-3-YL]ETHYNYL}PHENOXY)-N-(PYRIDIN-4-YLMETHYL)BENZAMIDE, ZINC ION, ... (6 entities in total) |
Functional Keywords | hydrolase, collagenase 3, mmp-13, matrixmetalloprotease |
Biological source | HOMO SAPIENS (HUMAN) |
Cellular location | Secreted, extracellular space, extracellular matrix : P45452 |
Total number of polymer chains | 2 |
Total formula weight | 39868.75 |
Authors | Gerhardt, S.,Hargreaves, D. (deposition date: 2011-05-13, release date: 2011-06-29, Last modification date: 2024-05-08) |
Primary citation | Savi, C.D.,Morley, A.D.,Ting, A.,Nash, I.,Karabelas, K.,Wood, C.M.,James, M.,Norris, S.J.,Karoutchi, G.,Rankine, N.,Hamlin, G.,Macfaul, P.A.,Ryan, D.,Baker, S.V.,Hargreaves, D.,Gerhardt, S. Selective Non Zinc Binding Inhibitors of Mmp13. Bioorg.Med.Chem.Lett., 21:4215-, 2011 Cited by PubMed Abstract: Directed screening has identified a novel series of MMP13 inhibitors that possess good levels of activity whilst possessing excellent selectivity over related MMPs. The binding mode of the series has been solved by co-crystallisation and demonstrates an interesting mode of inhibition without interaction with the catalytic zinc atom. PubMed: 21669521DOI: 10.1016/J.BMCL.2011.05.075 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.7 Å) |
Structure validation
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