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Structure paper

TitleThe Identification of Beta-Hydroxy Carboxylic Acids as Selective Mmp-12 Inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 19, Page 5760-, Year 2009
Publish dateJul 22, 2009 (structure data deposition date)
AuthorsHolmes, 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. ...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.
External linksBioorg. Med. Chem. Lett. / PubMed:19703773
MethodsX-ray diffraction
Resolution1.7 - 2.3 Å
Structure data

PDB-2wo8:
MMP12 complex with a beta hydroxy carboxylic acid
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-2wo9:
MMP12 complex with a beta hydroxy carboxylic acid
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-2woa:
MMP12 complex with a beta hydroxy carboxylic acid
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-CA:
Unknown entry

ChemComp-077:
(3S)-5-biphenyl-4-yl-3-hydroxypentanoic acid

ChemComp-SO4:
SULFATE ION

ChemComp-023:
N^2^-[(2R)-2-{(1S)-1-[FORMYL(HYDROXY)AMINO]ETHYL}-5-PHENYLPENTANOYL]-N,3-DIMETHYL-L-VALINAMIDE

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-068:
(3S)-5-(4'-ACETYLBIPHENYL-4-YL)-3-HYDROXYPENTANOIC ACID

ChemComp-576:
(3S)-5-(9H-FLUOREN-2-YL)-3-HYDROXYPENTANOIC ACID

Source
  • homo sapiens (human)
KeywordsHYDROLASE / POLYMORPHISM / GLYCOPROTEIN / METAL-BINDING / MATRIX METALLOPROTEASE MMP-12 COMPLEX STRUCTURE / METALLOPROTEASE / EXTRACELLULAR MATRIX / ZYMOGEN / PROTEASE / SECRETED / DISULFIDE BOND / ZINC / CALCIUM

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