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TitleDiscovery of TP0597850: A Selective, Chemically Stable, and Slow Tight-Binding Matrix Metalloproteinase-2 Inhibitor with a Phenylbenzamide-Pentapeptide Hybrid Scaffold.
Journal, issue, pagesJ. Med. Chem., Vol. 66, Page 822-836, Year 2023
Publish dateOct 19, 2022 (structure data deposition date)
AuthorsTakeuchi, T. / Nomura, Y. / Tamita, T. / Nishikawa, R. / Kakinuma, H. / Kojima, N. / Hitaka, K. / Tamura, Y. / Kamitani, M. / Mima, M. ...Takeuchi, T. / Nomura, Y. / Tamita, T. / Nishikawa, R. / Kakinuma, H. / Kojima, N. / Hitaka, K. / Tamura, Y. / Kamitani, M. / Mima, M. / Nozoe, A. / Hayashi, M.
External linksJ. Med. Chem. / PubMed:36595440
MethodsX-ray diffraction
Resolution2.4 Å
Structure data

PDB-8h78:
Crystal structure of human MMP-2 catalytic domain in complex with inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-CA:
Unknown entry

ChemComp-2HP:
DIHYDROGENPHOSPHATE ION

ChemComp-L2U:
(2~{R})-2-[[4-[(4-aminocarbonylphenyl)carbonylamino]phenyl]sulfonylamino]-5-[(2~{S},4~{S})-4-azanyl-2-[[(2~{S})-1-[[(2~{S})-1-[(5-azanyl-5-oxidanylidene-pentyl)amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxidanylidene-pentanoic acid

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / Gelatinase A / Matrix metalloproteinase-2 / 72 kDa type IV collagenase

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