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Structure paper

TitleStructure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL).
Journal, issue, pagesJ. Med. Chem., Vol. 61, Page 10929-10934, Year 2018
Publish dateSep 22, 2018 (structure data deposition date)
AuthorsHeidenreich, D. / Moustakim, M. / Schmidt, J. / Merk, D. / Brennan, P.E. / Fedorov, O. / Chaikuad, A. / Knapp, S.
External linksJ. Med. Chem. / PubMed:30407816
MethodsX-ray diffraction
Resolution1.81 - 2.3 Å
Structure data

PDB-6hpw:
Crystal structure of ENL (MLLT1) in complex with compound 20
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-6hpx:
Crystal structure of ENL (MLLT1) in complex with compound 19
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-6hpy:
Crystal structure of ENL (MLLT1) in complex with compound 12
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-6hpz:
Crystal structure of ENL (MLLT1) in complex with acetyllysine
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-6hq0:
Crystal structure of ENL (MLLT1), apo form
Method: X-RAY DIFFRACTION / Resolution: 1.81 Å

Chemicals

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-GKT:
3-iodanyl-4-methyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide

ChemComp-HOH:
WATER

ChemComp-GKQ:
~{N}-[(3-chlorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide

ChemComp-SO4:
SULFATE ION

ChemComp-GKN:
3-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]propanoic acid

ChemComp-ALY:
N(6)-ACETYLLYSINE

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / YEATS domain / inhibitor complex / Structural Genomics / Structural Genomics Consortium / SGC

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