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TitleLipoyl-Homotaurine Derivative (ADM_12) Reverts Oxaliplatin-Induced Neuropathy and Reduces Cancer Cells Malignancy by Inhibiting Carbonic Anhydrase IX (CAIX).
Journal, issue, pagesJ. Med. Chem., Vol. 60, Page 9003-9011, Year 2017
Publish dateFeb 14, 2017 (structure data deposition date)
AuthorsFragai, M. / Comito, G. / Di Cesare Mannelli, L. / Gualdani, R. / Calderone, V. / Louka, A. / Richichi, B. / Francesconi, O. / Angeli, A. / Nocentini, A. ...Fragai, M. / Comito, G. / Di Cesare Mannelli, L. / Gualdani, R. / Calderone, V. / Louka, A. / Richichi, B. / Francesconi, O. / Angeli, A. / Nocentini, A. / Gratteri, P. / Chiarugi, P. / Ghelardini, C. / Tadini-Buoninsegni, F. / Supuran, C.T. / Nativi, C.
External linksJ. Med. Chem. / PubMed:29048889
MethodsX-ray diffraction
Resolution1.8 Å
Structure data

PDB-5n5j:
Human MMP12 in complex with 3-(5-(1,2-dithiolan-3-yl)pentanamido)propane-1-sulfonate
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-5n5k:
Human catalytic MMP-12 in complex with 5-(1,2-dithiolan-3-yl)-N-(3-hydroxypropyl)pentanamide
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-CA:
Unknown entry

ChemComp-HAE:
ACETOHYDROXAMIC ACID / medication*YM

ChemComp-8NT:
3-[5-[(3~{S})-1,2-dithiolan-3-yl]pentanoylamino]propane-1-sulfonic acid

ChemComp-HOH:
WATER

ChemComp-8NW:
5-[(3~{S})-1,2-dithiolan-3-yl]-~{N}-(3-oxidanylpropyl)pentanamide

Source
  • homo sapiens (human)
KeywordsHYDROLASE / MMP12 / lipoic acid / inhibitor / MMP-12

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