2WO8

MMP12 complex with a beta hydroxy carboxylic acid

Summary for 2WO8

• Entry DOI: 10.2210/pdb2wo8/pdb
• Related: 1JIZ 1JK3 1OS2 1OS9 1RMZ 1ROS 1UTT 1UTZ 1Y93 1YCM 1Z3J 2W0D 2WO9 2WOA
• Descriptor: MACROPHAGE METALLOELASTASE, ZINC ION, CALCIUM ION, ... (8 entities in total)
• Functional Keywords: hydrolase, polymorphism, glycoprotein, metal-binding, matrix metalloprotease mmp-12 complex structure, metalloprotease, extracellular matrix, zymogen, protease, secreted
• Biological source: HOMO SAPIENS (HUMAN)
• Cellular location: Secreted, extracellular space, extracellular matrix (Probable): P39900
• Total number of polymer chains: 4
• Total formula weight: 75681.32

Authors

Holmes, I.P.,Gaines, S.,Watson, S.P.,Lorthioir, O.,Walker, A.,Baddeley, S.J.,Herbert, S.,Egan, D.,Convery, M.A.,Singh, O.M.P.,Gross, J.W.,Strelow, J.M.,Smith, R.H.,Amour, A.J.,Brown, D.,Martin, S.L. (deposition date: 2009-07-22, release date: 2009-09-08, Last modification date: 2024-05-08)

Primary citation

Holmes, I.P.,Gaines, S.,Watson, S.P.,Lorthioir, O.,Walker, A.,Baddeley, S.J.,Herbert, S.,Egan, D.,Convery, M.A.,Singh, O.M.P.,Gross, J.W.,Strelow, J.M.,Smith, R.H.,Amour, A.J.,Brown, D.,Martin, S.L.
The Identification of Beta-Hydroxy Carboxylic Acids as Selective Mmp-12 Inhibitors.
Bioorg.Med.Chem.Lett., 19:5760-, 2009

PubMed Abstract: A new class of selective MMP-12 inhibitors have been identified via high throughput screening. Crystallization with MMP-12 confirmed the mode of binding and allowed initial optimization to be carried out using classical structure based design.

PubMed: 19703773
DOI: 10.1016/J.BMCL.2009.07.155

Experimental method

X-RAY DIFFRACTION (2 Å)