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Structure paper

TitleA combined crystallographic and molecular dynamics study of cathepsin L retrobinding inhibitors
Journal, issue, pagesJ. Med. Chem., Vol. 52, Page 6335-6346, Year 2009
Publish dateApr 29, 2009 (structure data deposition date)
AuthorsShenoy, R.T. / Chowdhury, S.F. / Kumar, S. / Joseph, L. / Purisima, E.O. / Sivaraman, J.
External linksJ. Med. Chem. / PubMed:19761244
MethodsX-ray diffraction
Resolution1.8 - 2.5 Å
Structure data

PDB-3h89:
A combined crystallographic and molecular dynamics study of cathepsin-L retro-binding inhibitors(compound 4)
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-3h8b:
A combined crystallographic and molecular dynamics study of cathepsin-L retro-binding inhibitors(compound 9)
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-3h8c:
A combined crystallographic and molecular dynamics study of cathepsin-L retro-binding inhibitors (compound 14)
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-NSX:
N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-tyrosinamide

ChemComp-HOH:
WATER

ChemComp-NSY:
N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide

ChemComp-NSZ:
N-(biphenyl-4-ylacetyl)-S-methyl-L-cysteinyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide

Source
  • homo sapiens (human)
KeywordsHYDROLASE / Cysteine proteases / Cathepsin L / Disulfide bond / Glycoprotein / Lysosome / Protease / Thiol protease / Zymogen

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