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Structure paper

TitleHuman PIM1
Journal, issue, pagesTo Be Published
Publish dateJun 19, 2019 (structure data deposition date)
AuthorsGodoi, P.H.C. / Santiago, A.S. / Fala, A.M. / Ramos, P.Z. / Sriranganadane, D. / Mascarello, A. / Segretti, N. / Azevedo, H. / Guimaraes, C.R.W. / Arruda, P. ...Godoi, P.H.C. / Santiago, A.S. / Fala, A.M. / Ramos, P.Z. / Sriranganadane, D. / Mascarello, A. / Segretti, N. / Azevedo, H. / Guimaraes, C.R.W. / Arruda, P. / Elkins, J.M. / Counago, R.M.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.85 - 2.5 Å
Structure data

PDB-6pdi:
Human PIM1 bound to benzothiophene inhibitor 224
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-6pdn:
Human PIM1 bound to benzothiophene inhibitor 292
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-6pdo:
Human PIM1 bound to benzothiophene inhibitor 354
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-6pdp:
Human PIM1 bound to benzothiophene inhibitor 379
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-OCJ:
4-(5-{[(3-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide

ChemComp-GOL:
GLYCEROL

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-OD4:
4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxylic acid

ChemComp-OD1:
4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxamide

ChemComp-SO4:
SULFATE ION

ChemComp-OBY:
5-[2-(acetylamino)-1-benzothiophen-4-yl]-N-cyclopropylthiophene-2-carboxamide

Source
  • homo sapiens (human)
  • synthetic construct (others)
KeywordsTRANSFERASE/TRANSFERASE Inhibitor / PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1 / Structural Genomics / Structural Genomics Consortium / SGC / TRANSFERASE / TRANSFERASE-TRANSFERASE Inhibitor complex

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