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TitleEvaluation of a crystallographic surrogate for kallikrein 5 in the discovery of novel inhibitors for Netherton syndrome.
Journal, issue, pagesActa Crystallogr. ,Sect. F, Vol. 75, Page 385-391, Year 2019
Publish dateJan 10, 2019 (structure data deposition date)
AuthorsThorpe, J.H. / Edgar, E.V. / Smith, K.J. / Lewell, X.Q. / Rella, M. / White, G.V. / Polyakova, O. / Nassau, P. / Walker, A.L. / Holmes, D.S. ...Thorpe, J.H. / Edgar, E.V. / Smith, K.J. / Lewell, X.Q. / Rella, M. / White, G.V. / Polyakova, O. / Nassau, P. / Walker, A.L. / Holmes, D.S. / Pearce, A.C. / Wang, Y. / Liddle, J. / Hovnanian, A.
External linksActa Crystallogr. ,Sect. F / PubMed:31045568
MethodsX-ray diffraction
Resolution1.64 - 1.68 Å
Structure data

PDB-6qfe:
Crystal Structure of Human Kallikrein 5 in complex with GSK144
Method: X-RAY DIFFRACTION / Resolution: 1.67 Å

PDB-6qff:
Crystal Structure of Human Kallikrein 6 in complex with GSK144
Method: X-RAY DIFFRACTION / Resolution: 1.64 Å

PDB-6qfg:
Crystal Structure of Human Kallikrein 6 (I218Y) in complex with GSK144
Method: X-RAY DIFFRACTION / Resolution: 1.68 Å

PDB-6qfh:
Crystal Structure of Human Kallikrein 6 (N217D/I218Y/K224R) in complex with GSK144.
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

Chemicals

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

ChemComp-NA:
Unknown entry

ChemComp-J08:
4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide

ChemComp-HOH:
WATER

ChemComp-GOL:
GLYCEROL

Source
  • homo sapiens (human)
KeywordsHYDROLASE / Protease / Inhibitor / Complex

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