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Structure paper

TitleCrystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Journal, issue, pagesDrug Discov Today, Vol. 24, Page 1081-1086, Year 2019
Publish dateDec 13, 2018 (structure data deposition date)
AuthorsO'Reilly, M. / Cleasby, A. / Davies, T.G. / Hall, R.J. / Ludlow, R.F. / Murray, C.W. / Tisi, D. / Jhoti, H.
External linksDrug Discov Today / PubMed:30878562
MethodsX-ray diffraction
Resolution1.57 - 2.07 Å
Structure data

PDB-6q7k:
ERK2 mini-fragment binding
Method: X-RAY DIFFRACTION / Resolution: 1.84 Å

PDB-6q7s:
ERK2 mini-fragment binding
Method: X-RAY DIFFRACTION / Resolution: 1.73 Å

PDB-6q7t:
ERK2 mini-fragment binding
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-6qa1:
ERK2 mini-fragment binding
Method: X-RAY DIFFRACTION / Resolution: 1.58 Å

PDB-6qa3:
ERK2 mini-fragment binding
Method: X-RAY DIFFRACTION / Resolution: 1.57 Å

PDB-6qa4:
ERK2 mini-fragment binding
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-6qag:
ERK2 mini-fragment binding
Method: X-RAY DIFFRACTION / Resolution: 2.07 Å

PDB-6qah:
ERK2 mini-fragment binding
Method: X-RAY DIFFRACTION / Resolution: 1.58 Å

PDB-6qal:
ERK2 mini-fragment binding
Method: X-RAY DIFFRACTION / Resolution: 1.57 Å

PDB-6qaq:
ERK2 mini-fragment binding
Method: X-RAY DIFFRACTION / Resolution: 1.58 Å

PDB-6qaw:
ERK2 mini-fragment binding
Method: X-RAY DIFFRACTION / Resolution: 1.84 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-2AI:
1H-imidazol-2-amine

ChemComp-HOH:
WATER

ChemComp-IPH:
PHENOL

ChemComp-HOW:
1,2-oxazol-3-amine

ChemComp-HVK:
pyridin-2-amine

ChemComp-PZO:
PYRAZOLE

ChemComp-HRZ:
1~{H}-pyridin-2-one

ChemComp-HUH:
1~{H}-1,2,3-triazole

ChemComp-HVB:
1-azanylpropylideneazanium

ChemComp-HV2:
1,1-bis(oxidanylidene)thietan-3-ol

ChemComp-HVQ:
thiophen-3-ylmethylazanium

ChemComp-HVE:
[1-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methylazanium

Source
  • homo sapiens (human)
KeywordsSIGNALING PROTEIN / Ser/Thr kinase / signal transduction / ATP binding

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