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Structure paper

TitleIn crystallo screening for proline analog inhibitors of the proline cycle enzyme PYCR1.
Journal, issue, pagesJ. Biol. Chem., Vol. 295, Page 18316-18327, Year 2020
Publish dateJul 7, 2020 (structure data deposition date)
AuthorsChristensen, E.M. / Bogner, A.N. / Vandekeere, A. / Tam, G.S. / Patel, S.M. / Becker, D.F. / Fendt, S.M. / Tanner, J.J.
External linksJ. Biol. Chem. / PubMed:33109600
MethodsX-ray diffraction
Resolution1.75 - 2.35 Å
Structure data

PDB-6xoz:
Structure of human PYCR1 complexed with L-tetrahydro-2-furoic acid
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

PDB-6xp0:
Structure of human PYCR1 complexed with N-formyl L-proline
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-6xp1:
Structure of human PYCR1 complexed with L-thiazolidine-2-carboxylate
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-6xp2:
Structure of human PYCR1 complexed with L-thiazolidine-4-carboxylate
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-6xp3:
Structure of human PYCR1 complexed with cyclopentanecarboxylic acid
Method: X-RAY DIFFRACTION / Resolution: 1.93 Å

Chemicals

ChemComp-TFB:
TETRAHYDROFURAN-2-CARBOXYLIC ACID

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-FPK:
1-formyl-L-proline

ChemComp-T2C:
(2S)-1,3-thiazolidine-2-carboxylic acid

ChemComp-SO4:
SULFATE ION

ChemComp-PRS:
THIOPROLINE

ChemComp-IQ0:
cyclopentanecarboxylic acid

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / AMINO-ACID BIOSYNTHESIS / PROLINE BIOSYNTHESIS

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