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Structure paper

TitleN-O-Isopropyl Sulfonamido-Based Hydroxamates as Matrix Metalloproteinase Inhibitors: Hit Selection and in Vivo Antiangiogenic Activity.
Journal, issue, pagesJ. Med. Chem., Vol. 58, Page 7224-7240, Year 2015
Publish dateNov 20, 2014 (structure data deposition date)
AuthorsNuti, E. / Cantelmo, A.R. / Gallo, C. / Bruno, A. / Bassani, B. / Camodeca, C. / Tuccinardi, T. / Vera, L. / Orlandini, E. / Nencetti, S. ...Nuti, E. / Cantelmo, A.R. / Gallo, C. / Bruno, A. / Bassani, B. / Camodeca, C. / Tuccinardi, T. / Vera, L. / Orlandini, E. / Nencetti, S. / Stura, E.A. / Martinelli, A. / Dive, V. / Albini, A. / Rossello, A.
External linksJ. Med. Chem. / PubMed:26263024
MethodsX-ray diffraction
Resolution1.3 - 1.65 Å
Structure data

PDB-4wzv:
Crystal structure of a hydroxamate based inhibitor EN140 in complex with the MMP-9 catalytic domain
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-4xct:
Crystal structure of a hydroxamate based inhibitor ARP101 (EN73) in complex with the MMP-9 catalytic domain.
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

Chemicals

ChemComp-E40:
(2R)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-hydroxy-2-{[(4'-methoxybiphenyl-4-yl)sulfonyl](propan-2-yloxy)amino}butanamide

ChemComp-ZN:
Unknown entry

ChemComp-CA:
Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-PGO:
S-1,2-PROPANEDIOL

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-AZI:
AZIDE ION

ChemComp-NA:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-N73:
(2~{R})-3-methyl-~{N}-oxidanylidene-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxy-amino]butanamide

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-BUD:
(2S,3S)-butane-2,3-diol

Source
  • homo sapiens (human)
KeywordsHYDROLASE / MMP9 Inhibitor complex / Thyroid hormone-binding protein / Inhibitor-complex / metalloprotease

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