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Structure paper

TitleStructure-based design, synthesis, and binding mode analysis of novel and potent chymase inhibitors
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 28, Page 188-192, Year 2018
Publish dateOct 11, 2017 (structure data deposition date)
AuthorsFutamura-Takahashi, J. / Tanaka, T. / Sugawara, H. / Iwashita, S. / Imajo, S. / Oyama, Y. / Muto, T.
External linksBioorg. Med. Chem. Lett. / PubMed:29191554
MethodsX-ray diffraction
Resolution1.8 - 1.9 Å
Structure data

PDB-5yjm:
Human chymase in complex with 7-oxo-3-(phenoxyimino)-1,4-diazepane derivative
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-5yjp:
Human chymase in complex with 3-(ethoxyimino)-7-oxo-1,4-diazepane derivative
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-ZN:
Unknown entry

ChemComp-8W3:
2-amino-4-((R)-1-((R,Z)-6-(5-chloro-2-methoxybenzyl)-7-oxo-3-(phenoxyimino)-1,4-diazepane-1-carboxamido)propyl)benzoic

ChemComp-HOH:
WATER

ChemComp-8W6:
4-((R)-1-((R,Z)-6-(5-chloro-2-methoxybenzyl)-3-(ethoxyimino)-7-oxo-1,4-diazepane-1-carboxamido)propyl)benzoic acid

Source
  • homo sapiens (human)
KeywordsHYDROLASE / protease / inhibitor / complex

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