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Structure paper

TitleAcetylcholine Binding Protein (Achbp) as Template for Hierarchical in Silico Screening Procedures to Identify Structurally Novel Ligands for the Nicotinic Receptors.
Journal, issue, pagesBioorg. Med. Chem., Vol. 19, Page 6107-, Year 2011
Publish dateAug 6, 2010 (structure data deposition date)
AuthorsAkdemir, A. / Rucktooa, P. / Jongejan, A. / Elk, R.V. / Bertrand, S. / Sixma, T.K. / Bertrand, D. / Smit, A.B. / Leurs, R. / De Graaf, C. / De Esch, I.J.
External linksBioorg. Med. Chem. / PubMed:21920761
MethodsX-ray diffraction
Resolution2.44 - 3.21 Å
Structure data

PDB-2xnt:
Acetylcholine binding protein (AChBP) as template for hierarchical in silico screening procedures to identify structurally novel ligands for the nicotinic receptors
Method: X-RAY DIFFRACTION / Resolution: 3.21 Å

PDB-2xnu:
Acetylcholine binding protein (AChBP) as template for hierarchical in silico screening procedures to identify structurally novel ligands for the nicotinic receptors
Method: X-RAY DIFFRACTION / Resolution: 2.55 Å

PDB-2xnv:
Acetylcholine binding protein (AChBP) as template for hierarchical in silico screening procedures to identify structurally novel ligands for the nicotinic receptors
Method: X-RAY DIFFRACTION / Resolution: 2.44 Å

Chemicals

ChemComp-VU2:
(2S)-2-[(4-CHLOROBENZYL)OXY]-2-PHENYLETHANAMINE

ChemComp-BR:
BROMIDE ION

ChemComp-VU3:
2-(2-(4-PHENYLPIPERIDIN-1-YL)ETHYL)-1H-INDOLE

ChemComp-HOH:
WATER

Source
  • aplysia californica (California sea hare)
KeywordsRECEPTOR / CHOLINE-BINDING PROTEIN / IN-SILICO SCREENING / LIGAND-GATED ION CHANNELS / ELECTROPHYSIOLOGY / CYS-LOOP RECEPTORS

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