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Structure paper

TitleStructures of human thymidylate kinase in complex with prodrugs: implications for the structure-based design of novel compounds
Journal, issue, pagesBiochemistry, Vol. 42, Page 2568-2577, Year 2003
Publish dateJan 12, 2003 (structure data deposition date)
AuthorsOstermann, N. / Segura-Pena, D. / Meier, C. / Veit, T. / Monnerjahn, M. / Konrad, M. / Lavie, A.
External linksBiochemistry / PubMed:12614151
MethodsX-ray diffraction
Resolution1.5 - 1.9 Å
Structure data

PDB-1nmx:
Crystal structure of human thymidylate kinase with FLTMP and ADP
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-1nmy:
Crystal structure of human thymidylate kinase with FLTMP and AppNHp
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-1nmz:
Crystal structure of human thymidylate kinase with NH2TMP and AppNHp
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-1nn0:
Crystal structure of human thymidylate kinase with ddTMP and ADP
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-1nn1:
Crystal structure of human thymidylate kinase with ddTMP and AppNHp
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-1nn3:
Crystal structure of human thymidylate kinase with d4TMP + ADP
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-1nn5:
Crystal structure of human thymidylate kinase with d4TMP + AppNHp
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

Chemicals

ChemComp-MG:
Unknown entry

ChemComp-FDM:
3'-FLUORO-3'-DEOXYTHYMIDINE MONOPHOSPHATE

ChemComp-ADP:
ADENOSINE-5'-DIPHOSPHATE / ADP, energy-carrying molecule*YM

ChemComp-HOH:
WATER

ChemComp-ANP:
PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER / AMP-PNP, energy-carrying molecule analogue*YM

ChemComp-NYM:
3'-DEOXY-3'-AMINOTHYMIDINE MONOPHOSPHATE

ChemComp-2DT:
3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / thymidylate kinase / p-loop / fluorothymidine / aminothymidine / dideoxythymidine / d4TMP

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