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TitleCrystal structures of human ENPP1 in apo and bound forms.
Journal, issue, pagesActa Crystallogr D Struct Biol, Vol. 76, Page 889-898, Year 2020
Publish dateApr 2, 2020 (structure data deposition date)
AuthorsDennis, M.L. / Newman, J. / Dolezal, O. / Hattarki, M. / Surjadi, R.N. / Nuttall, S.D. / Pham, T. / Nebl, T. / Camerino, M. / Khoo, P.S. ...Dennis, M.L. / Newman, J. / Dolezal, O. / Hattarki, M. / Surjadi, R.N. / Nuttall, S.D. / Pham, T. / Nebl, T. / Camerino, M. / Khoo, P.S. / Monahan, B.J. / Peat, T.S.
External linksActa Crystallogr D Struct Biol / PubMed:32876064
MethodsX-ray diffraction
Resolution2.5 - 2.9 Å
Structure data

PDB-6wet:
Crystal structures of human E-NPP 1: apo
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-6weu:
Crystal structures of human E-NPP 1: bound to adenosine-5'-thio-monophosphate
Method: X-RAY DIFFRACTION / Resolution: 2.65 Å

PDB-6wev:
Crystal structures of human E-NPP 1: bound to N-{[1-(6,7-dimethoxy-5,8-dihydroquinazolin-4-yl)piperidin-4-yl]methyl}sulfuric diamide
Method: X-RAY DIFFRACTION / Resolution: 2.9 Å

PDB-6wew:
Crystal structures of human E-NPP 1: bound to N-{4-[(7-methoxyquinolin-4-yl)oxy]phenyl}sulfuric diamide
Method: X-RAY DIFFRACTION / Resolution: 2.73 Å

PDB-6wfj:
Crystal structures of human E-NPP 1: apo
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-ZN:
Unknown entry

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

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-SRA:
ADENOSINE -5'-THIO-MONOPHOSPHATE

ChemComp-CA:
Unknown entry

ChemComp-TZS:
N-{[1-(6,7-dimethoxy-5,8-dihydroquinazolin-4-yl)piperidin-4-yl]methyl}sulfuric diamide

ChemComp-PO4:
PHOSPHATE ION

ChemComp-TZV:
N-{4-[(7-methoxyquinolin-4-yl)oxy]phenyl}sulfuric diamide

ChemComp-AMP:
ADENOSINE MONOPHOSPHATE / AMP*YM

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / human E-NPP 1; drug discovery; inhibitors / HYDROLASE/HYDROLASE INHIBITOR / HYDROLASE-HYDROLASE INHIBITOR complex / human E-NPP 1 / drug discovery / inhibitors

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