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Structure paper

TitleKRAS Binders Hidden in Nature.
Journal, issue, pagesChemistry, Vol. 25, Page 12037-12041, Year 2019
Publish dateFeb 28, 2019 (structure data deposition date)
AuthorsBergner, A. / Cockcroft, X. / Fischer, G. / Gollner, A. / Hela, W. / Kousek, R. / Mantoulidis, A. / Martin, L.J. / Mayer, M. / Mullauer, B. ...Bergner, A. / Cockcroft, X. / Fischer, G. / Gollner, A. / Hela, W. / Kousek, R. / Mantoulidis, A. / Martin, L.J. / Mayer, M. / Mullauer, B. / Siszler, G. / Wolkerstorfer, B. / Kessler, D. / McConnell, D.B.
External linksChemistry / PubMed:31231840
MethodsX-ray diffraction
Resolution1.242 - 1.62 Å
Structure data

PDB-6quu:
Crystal Structure of KRAS-G12D in complex with GMP-PCP
Method: X-RAY DIFFRACTION / Resolution: 1.477 Å

PDB-6quv:
Crystal Structure of KRAS-G12D in complex with GMP-PCP and compound 15R
Method: X-RAY DIFFRACTION / Resolution: 1.475 Å

PDB-6quw:
Crystal Structure of KRAS-G12D in Complex with Natural Product-Like Compound 9b
Method: X-RAY DIFFRACTION / Resolution: 1.242 Å

PDB-6qux:
Crystal Structure of KRAS-G12D in Complex with Natural Product-Like Compound 15
Method: X-RAY DIFFRACTION / Resolution: 1.62 Å

Chemicals

ChemComp-GCP:
PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER / GMP-PCP, energy-carrying molecule analogue*YM

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-JJN:
(6~{a}~{R},11~{b}~{S})-6~{a}-(1,4-dimethylpiperidin-4-yl)-7,11~{b}-dihydro-6~{H}-indolo[2,3-c]isoquinolin-5-one

ChemComp-JJQ:
(3~{a}~{R},8~{b}~{S})-2,2,3~{a},8~{b}-tetramethyl-3,4-dihydro-1~{H}-pyrrolo[2,3-b]indole

ChemComp-EDO:
1,2-ETHANEDIOL

Source
  • homo sapiens (human)
KeywordsONCOPROTEIN / PPI / KRAS / GTPase / cancer

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