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Structure paper

TitleX-Ray Structures of Checkpoint Kinase 2 in Complex with Inhibitors that Target its Gatekeeper-Dependent Hydrophobic Pocket.
Journal, issue, pagesFEBS Lett., Vol. 585, Page 3245-, Year 2011
Publish dateMay 16, 2011 (structure data deposition date)
AuthorsLountos, G.T. / Jobson, A.G. / Tropea, J.E. / Self, C.R. / Zhang, G. / Pommier, Y. / Shoemaker, R.H. / Waugh, D.S.
External linksFEBS Lett. / PubMed:21907711
MethodsX-ray diffraction
Resolution1.89 - 2.2 Å
Structure data

PDB-2yiq:
Structural analysis of checkpoint kinase 2 in complex with inhibitor PV1322
Method: X-RAY DIFFRACTION / Resolution: 1.89 Å

PDB-2yir:
Structural analysis of checkpoint kinase 2 in complex with inhibitor PV1352
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-2yit:
Structural analysis of checkpoint kinase 2 in complex with PV1162, a novel inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-YIQ:
(E)-5-(1-(2-CARBAMIMIDOYLHYDRAZONO)ETHYL)-N-(1H-INDOL-6-YL)-1H-INDOLE-2-CARBOXAMIDE

ChemComp-NO3:
NITRATE ION

ChemComp-HOH:
WATER

ChemComp-YIR:
(E)-N-(5-(2-CARBAMIMIDOYLHYDRAZONO)-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)-7-NITRO-1H-INDOLE-2-CARBOXAMIDE

ChemComp-YIT:
N-{4-[(1E)-N-carbamimidoylbutanehydrazonoyl]phenyl}-5-methoxy-1H-indole-2-carboxamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / STRUCTURE-BASED DRUG DESIGN / CELL CYCLE

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