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Structure paper

TitleStructure-based approaches towards identification of fragments for the low-druggability ATAD2 bromodomain
Journal, issue, pagesMedChemComm, Vol. 5, Page 1843-1848, Year 2014
Publish dateJul 6, 2014 (structure data deposition date)
AuthorsChaikuad, A. / Petros, A.M. / Fedorov, O. / Xu, J. / Knapp, S.
External linksMedChemComm / Search PubMed
MethodsX-ray diffraction
Resolution1.6 - 2.05 Å
Structure data

PDB-4qsp:
Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with acetyl-lysine
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-4qsq:
Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) with bound DMSO
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-4qsr:
Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) with bound MPD
Method: X-RAY DIFFRACTION / Resolution: 2.0 Å

PDB-4qss:
Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with N-Methyl-2-pyrrolidone (NMP)
Method: X-RAY DIFFRACTION / Resolution: 2.0 Å

PDB-4qst:
Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with 1-methylquinolin 2-one
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

PDB-4qsu:
Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with thymine
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-4qsv:
Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with thymidine
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-4qsw:
Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with 5-methyl uridine
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-4qsx:
Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with 3'-deoxy thymidine
Method: X-RAY DIFFRACTION / Resolution: 1.93 Å

Chemicals

ChemComp-ALY:
N(6)-ACETYLLYSINE

ChemComp-SO4:
SULFATE ION / Sulfate

ChemComp-EDO:
1,2-ETHANEDIOL / Ethylene glycol

ChemComp-HOH:
WATER / Water

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM / Dimethyl sulfoxide

ChemComp-MPD:
(4S)-2-METHYL-2,4-PENTANEDIOL / precipitant*YM / 2-Methyl-2,4-pentanediol

ChemComp-GOL:
GLYCEROL / Glycerol

ChemComp-MB3:
1-methylpyrrolidin-2-one / N-Methyl-2-pyrrolidone

ChemComp-12Q:
1-METHYLQUINOLIN-2(1H)-ONE

ChemComp-TDR:
THYMINE / Thymine

ChemComp-THM:
THYMIDINE / Thymidine

ChemComp-38T:
5-methyluridine / 5-Methyluridine

ChemComp-38S:
1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione

Source
  • homo sapiens (human)
KeywordsSIGNALING PROTEIN / Structural Genomics Consortium (SGC) / bromodomain / actyl-lysine binding / ATPase family AAA domain-containing protein 2 / epigenetics

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