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Structure paper

TitleStructural and Kinetic Evaluation of Phosphoramidate Inhibitors on Thermolysin
Journal, issue, pagesTo Be Published
Publish dateFeb 21, 2020 (structure data deposition date)
AuthorsKljajic, M. / Gerber, H.-D. / Heine, A. / Klebe, G.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.16 - 1.6 Å
Structure data

PDB-6y4i:
Structural and Kinetic Evaluation of Phosphoramidate Inhibitors on Thermolysin
Method: X-RAY DIFFRACTION / Resolution: 1.16 Å

PDB-6yi6:
Structural and Kinetic Evaluation of Phosphoramidate Inhibitors on Thermolysin
Method: X-RAY DIFFRACTION / Resolution: 1.44 Å

PDB-6ymr:
Structural and Kinetic Evaluation of Phosphoramidate Inhibitors on Thermolysin
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-6yms:
Structural and Kinetic Evaluation of Phosphoramidate Inhibitors on Thermolysin
Method: X-RAY DIFFRACTION / Resolution: 1.32 Å

Chemicals

ChemComp-CA:
Unknown entry

ChemComp-ZN:
Unknown entry

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

ChemComp-0PK:
N-[(S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-L-leucyl-L-alanine

ChemComp-CS:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-ORK:
(2~{S})-2-[[(2~{S})-4-methyl-2-[[oxidanyl-[(1~{S})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]pentanoyl]amino]propanoic acid

ChemComp-OZE:
(((R)-1-(((benzyloxy)carbonyl)amino)-2-phenylethyl)oxidophosphoryl)glycyl-L-leucinate

ChemComp-OZH:
(2~{S})-4-methyl-2-[2-[[oxidanyl-[(1~{S})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]ethanoylamino]pentanoic acid

ChemComp-TRS:
2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / pH buffer*YM

ChemComp-GOL:
GLYCEROL

Source
  • geobacillus stearothermophilus (bacteria)
KeywordsHYDROLASE / Phosphoramidate Inhibitor / Protease

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