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Structure paper

TitleElucidating the Origin of Long Residence Time Binding for Inhibitors of the Metalloprotease Thermolysin.
Journal, issue, pagesACS Chem. Biol., Vol. 12, Page 225-233, Year 2017
Publish dateJul 14, 2016 (structure data deposition date)
AuthorsCramer, J. / Krimmer, S.G. / Fridh, V. / Wulsdorf, T. / Karlsson, R. / Heine, A. / Klebe, G.
External linksACS Chem. Biol. / PubMed:27959500
MethodsX-ray diffraction
Resolution1.23 - 1.31 Å
Structure data

PDB-5lif:
Thermolysin in complex with inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.31 Å

PDB-5lwd:
Thermolysin in complex with inhibitor (JC96)
Method: X-RAY DIFFRACTION / Resolution: 1.23 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-CA:
Unknown entry

ChemComp-GOL:
GLYCEROL

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

ChemComp-6XO:
(2~{S})-3-cyclohexyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]propanoic acid

ChemComp-HOH:
WATER

ChemComp-79E:
JC96

Source
  • bacillus thermoproteolyticus (bacteria)
KeywordsHYDROLASE / METALLOPROTEASE / HYDROLASE INHIBITOR COMPLEX

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