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Title5-Substituted Pyridine-2,4-dicarboxylate Derivatives Have Potential for Selective Inhibition of Human Jumonji-C Domain-Containing Protein 5.
Journal, issue, pagesJ. Med. Chem., Vol. 66, Page 10849-10865, Year 2023
Publish dateJan 23, 2021 (structure data deposition date)
AuthorsBrewitz, L. / Nakashima, Y. / Piasecka, S.K. / Salah, E. / Fletcher, S.C. / Tumber, A. / Corner, T.P. / Kennedy, T.J. / Fiorini, G. / Thalhammer, A. ...Brewitz, L. / Nakashima, Y. / Piasecka, S.K. / Salah, E. / Fletcher, S.C. / Tumber, A. / Corner, T.P. / Kennedy, T.J. / Fiorini, G. / Thalhammer, A. / Christensen, K.E. / Coleman, M.L. / Schofield, C.J.
External linksJ. Med. Chem. / PubMed:37527664
MethodsX-ray diffraction
Resolution1.62 - 2.27 Å
Structure data

PDB-7dyt:
Human JMJD5 in complex with MN and 5-((4-methoxybenzyl)amino)pyridine-2,4-dicarboxylic acid.
Method: X-RAY DIFFRACTION / Resolution: 1.62 Å

PDB-7dyu:
Human JMJD5 in complex with MN and 5-((4-phenylbutyl)amino)pyridine-2,4-dicarboxylic acid.
Method: X-RAY DIFFRACTION / Resolution: 1.72 Å

PDB-7dyv:
Human JMJD5 in complex with MN and 5-(benzylamino)pyridine-2,4-dicarboxylic acid.
Method: X-RAY DIFFRACTION / Resolution: 1.92 Å

PDB-7dyw:
Human JMJD5 in complex with MN and 5-((2-methoxybenzyl)amino)pyridine-2,4-dicarboxylic acid.
Method: X-RAY DIFFRACTION / Resolution: 2.13 Å

PDB-7dyx:
Human JMJD5 in complex with MN and 5-((2-cyclopropylbenzyl)amino)pyridine-2,4-dicarboxylic acid.
Method: X-RAY DIFFRACTION / Resolution: 2.27 Å

Chemicals

ChemComp-MN:
Unknown entry

ChemComp-HR3:
5-((4-methoxybenzyl)amino)pyridine-2,4-dicarboxylic acid

ChemComp-HOH:
WATER

ChemComp-TRS:
2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / pH buffer*YM

ChemComp-HR9:
5-(4-phenylbutylamino)pyridine-2,4-dicarboxylic acid

ChemComp-HRF:
5-(benzylamino)pyridine-2,4-dicarboxylic acid

ChemComp-HRL:
5-((2-methoxybenzyl)amino)pyridine-2,4-dicarboxylic acid

ChemComp-HRR:
5-((2-cyclopropylbenzyl)amino)pyridine-2,4-dicarboxylic acid

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / JmjC domain-containing protein 5 / JMJD5 / dioxygenase

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