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Structure paper

TitleContribution of free energy of solvation to ligand affinity in new potent MMPs inhibitors.
Journal, issue, pagesTo be Published
Publish dateAug 30, 2012 (structure data deposition date)
AuthorsMori, M. / Massaro, A. / Calderone, V. / Fragai, M. / Luchinat, C. / Mordini, A.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution2 Å
Structure data

PDB-4guy:
Human MMP12 catalytic domain in complex with*N*-Hydroxy-2-(2-(4-methoxyphenyl)ethylsulfonamido)acetamide
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-CA:
Unknown entry

ChemComp-KLJ:
N-hydroxy-N~2~-{[2-(4-methoxyphenyl)ethyl]sulfonyl}glycinamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / MMP-12 / Matrix / metalloproteinase / HYDROLASE-HYDROLASE INHIBITOR COMPLEX

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