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Structure paper

TitleStructural and inhibition analysis reveals the mechanism of selectivity of a series of aggrecanase inhibitors
Journal, issue, pagesJ. Biol. Chem., Vol. 284, Page 24185-24191, Year 2009
Publish dateJun 22, 2009 (structure data deposition date)
AuthorsTortorella, M.D. / Tomasselli, A.G. / Mathis, K.J. / Schnute, M.E. / Woodard, S.S. / Munie, G. / Williams, J.M. / Caspers, N. / Wittwer, A.J. / Malfait, A.M. / Shieh, H.S.
External linksJ. Biol. Chem. / PubMed:19586907
MethodsX-ray diffraction
Resolution1.4 - 2.02 Å
Structure data

PDB-3hy7:
Crystal Structure of the Catalytic Domain of ADAMTS-5 in Complex with Marimastat
Method: X-RAY DIFFRACTION / Resolution: 1.69 Å

PDB-3hy9:
Crystal Structure of the Catalytic Domain of ADAMTS-5 in Complex with an Amino-2-indanol compound
Method: X-RAY DIFFRACTION / Resolution: 2.02 Å

PDB-3hyg:
Crystal Structure of the Catalytic Domain of ADAMTS-5 in Complex with an Amino-2-indanol compound
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

Chemicals

ChemComp-097:
(2S,3R)-N~4~-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-N~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide / antineoplastic, inhibitor*YM

ChemComp-ZN:
Unknown entry

ChemComp-CA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-098:
(3R)-N~2~-(cyclopropylmethyl)-N~1~-hydroxy-3-(3-hydroxybenzyl)-N~4~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-L-aspartamide

ChemComp-099:
(2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide

Source
  • homo sapiens (human)
KeywordsHYDROLASE / alpha/beta structure / central five stranded beta-sheet / Cleavage on pair of basic residues / Disulfide bond / Extracellular matrix / Glycoprotein / Metal-binding / Metalloprotease / Polymorphism / Protease / Secreted / Zinc / Zymogen

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