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Structure paper

TitleDiscovery and characterization of bromodomain 2-specific inhibitors of BRDT.
Journal, issue, pagesProc. Natl. Acad. Sci. USA, Vol. 118, Year 2021
Publish dateJan 3, 2021 (structure data deposition date)
AuthorsYu, Z. / Ku, A.F. / Anglin, J.L. / Sharma, R. / Ucisik, M.N. / Faver, J.C. / Li, F. / Nyshadham, P. / Simmons, N. / Sharma, K.L. ...Yu, Z. / Ku, A.F. / Anglin, J.L. / Sharma, R. / Ucisik, M.N. / Faver, J.C. / Li, F. / Nyshadham, P. / Simmons, N. / Sharma, K.L. / Nagarajan, S. / Riehle, K. / Kaur, G. / Sankaran, B. / Storl-Desmond, M. / Palmer, S.S. / Young, D.W. / Kim, C. / Matzuk, M.M.
External linksProc. Natl. Acad. Sci. USA / PubMed:33637650
MethodsX-ray diffraction
Resolution1.9 - 2.27 Å
Structure data

PDB-7l99:
Crystal structure of BRDT bromodomain 2 in complex with CDD-1302
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-7l9a:
Crystal structure of BRDT bromodomain 2 in complex with CDD-1102
Method: X-RAY DIFFRACTION / Resolution: 2.27 Å

Chemicals

ChemComp-XWJ:
N-[3-(acetylamino)-4-methylphenyl]-3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carboxamide

ChemComp-JEF:
O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500)

ChemComp-HOH:
WATER

ChemComp-XWP:
N~1~-(5-{[3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carbonyl]amino}-2-methylphenyl)-N~4~-methylbenzene-1,4-dicarboxamide

ChemComp-BME:
BETA-MERCAPTOETHANOL

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / Inhibitor Complex / TRANSCRIPTION/INHIBITOR / TRANSCRIPTION-INHIBITOR complex

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