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TitleEntropic contribution to the linking coefficient in fragment based drug design: a case study.
Journal, issue, pagesJ. Med. Chem., Vol. 53, Page 4285-4289, Year 2010
Publish dateJan 27, 2010 (structure data deposition date)
AuthorsBorsi, V. / Calderone, V. / Fragai, M. / Luchinat, C. / Sarti, N.
External linksJ. Med. Chem. / PubMed:20415416
MethodsX-ray diffraction
Resolution1.8 Å
Structure data

PDB-3lka:
Catalytic domain of human MMP-12 complexed with hydroxamic acid and paramethoxy-sulfonyl amide
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-CA:
Unknown entry

ChemComp-HAE:
ACETOHYDROXAMIC ACID / inhibitor, medication*YM

ChemComp-M4S:
4-methoxybenzenesulfonamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / matrix metalloproteinase / MMP12 / elastase / complex (elastase-inhibitor) / metallo elastase / extracellular matrix / glycoprotein / metal-binding / metalloprotease

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