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Structure paper

TitleInhibition of low molecular weight protein tyrosine phosphatase by an induced-fit mechanism.
Journal, issue, pagesJ. Med. Chem., Year 2016
Publish dateJul 6, 2016 (structure data deposition date)
AuthorsHe, R. / Wang, J. / Yu, Z.H. / Zhang, R.Y. / Liu, S. / Wu, L. / Zhang, Z.Y.
External linksJ. Med. Chem. / PubMed:27676368
MethodsX-ray diffraction
Resolution1.45 - 2.052 Å
Structure data

PDB-5kqg:
Co-crystal structure of LMW-PTP in complex with 2-(benzothiazol-2-ylamino)-2-oxo-1-phenylethanesulfonic acid
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-5kql:
Co-crystal structure of LMW-PTP in complex with 2-oxo-1-phenyl-2-(phenylamino)ethanesulfonic acid
Method: X-RAY DIFFRACTION / Resolution: 1.45 Å

PDB-5kqm:
Co-crystal structure of LMW-PTP in complex with MES
Method: X-RAY DIFFRACTION / Resolution: 1.91 Å

PDB-5kqp:
Crystal structure of Apo-form LMW-PTP
Method: X-RAY DIFFRACTION / Resolution: 2.052 Å

Chemicals

ChemComp-6VX:
(1~{S})-2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-1-phenyl-ethanesulfonic acid

ChemComp-HOH:
WATER

ChemComp-6VY:
(1~{S})-2-oxidanylidene-1-phenyl-2-phenylazanyl-ethanesulfonic acid

ChemComp-MES:
2-(N-MORPHOLINO)-ETHANESULFONIC ACID / pH buffer*YM

Source
  • homo sapiens (human)
Keywordshydrolase/hydrolase inhibitor / LMW-PTP / Inhibitor / Complex / hydrolase-hydrolase inhibitor complex / HYDROLASE

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