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Structure paper

TitlePotent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival.
Journal, issue, pagesJ. Med. Chem., Vol. 59, Page 2346-, Year 2016
Publish dateSep 8, 2015 (structure data deposition date)
AuthorsKettle, J.G. / Alwan, H. / Bista, M. / Breed, J. / Davies, N.L. / Eckersley, K. / Fillery, S. / Foote, K.M. / Goodwin, L. / Jones, D.R. ...Kettle, J.G. / Alwan, H. / Bista, M. / Breed, J. / Davies, N.L. / Eckersley, K. / Fillery, S. / Foote, K.M. / Goodwin, L. / Jones, D.R. / Kack, H. / Lau, A. / Nissink, J.W. / Read, J. / Scott, J.S. / Taylor, B. / Walker, G. / Wissler, L. / Wylot, M.
External linksJ. Med. Chem. / PubMed:26878898
MethodsX-ray diffraction
Resolution1.16 - 2 Å
Structure data

PDB-5ans:
Potent and selective inhibitors of MTH1 probe its role in cancer cell survival
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-5ant:
Potent and selective inhibitors of MTH1 probe its role in cancer cell survival
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-5anu:
MTH1 in complex with compound 15
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-5anv:
MTH1 in complex with compound 15
Method: X-RAY DIFFRACTION / Resolution: 1.16 Å

PDB-5anw:
MTH1 in complex with compound 24
Method: X-RAY DIFFRACTION / Resolution: 1.37 Å

Chemicals

ChemComp-RX8:
1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol / antivirus*YM

ChemComp-HOH:
WATER

ChemComp-RJE:
2-(2-methoxyethoxy)-6-(methylamino)-9-(phenylmethyl)-7H-purin-8-one

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

ChemComp-58T:
13-(METHYLAMINO)-23,24,25-TRIOXA-17,18,19,21-TETRAZATETRACYCLO-TRICOSA-1(3),2(10),4(11),12(14),13(18),16(19)-HEXAN-15-ONE

ChemComp-RGJ:
4-(4-CHLORO-2-FLUORO-ANILINO)-6,7-DIMETHOXY-N-METHYL-QUINOLINE-3-CARBOXAMIDE

ChemComp-9CQ:
2-[4-(2-AMINOQUINAZOLIN-4-YL)PHENYL]-N,N-DIMETHYL-ACETAMIDE

Source
  • homo sapiens (human)
KeywordsHYDROLASE / MTH1 / ONCOLOGY / NUCLEOTIDE HYDROLYSIS / INHIBITION / NUDT1 / INHIBITOR / NUDIX HYDROLASE

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