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Structure paper

TitleApplication of fragment screening by X-ray crystallography to beta-Secretase.
Journal, issue, pagesJ. Med. Chem., Vol. 50, Page 1116-1123, Year 2007
Publish dateJan 2, 2007 (structure data deposition date)
AuthorsMurray, C.W. / Callaghan, O. / Chessari, G. / Cleasby, A. / Congreve, M. / Frederickson, M. / Hartshorn, M.J. / McMenamin, R. / Patel, S. / Wallis, N.
External linksJ. Med. Chem. / PubMed:17315856
MethodsX-ray diffraction
Resolution2.15 - 2.7 Å
Structure data

PDB-2of0:
X-ray crystal structure of beta secretase complexed with compound 5
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

PDB-2ohk:
X-ray crystal structure of beta secretase complexed with 1-amino-isoquinoline
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-2ohl:
X-ray crystal structure of beta secretase complexed with 2-aminoquinoline
Method: X-RAY DIFFRACTION / Resolution: 2.65 Å

PDB-2ohm:
X-ray crystal structure of beta secretase complexed with N~3~-benzylpyridine-2,3-diamine
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-2ohn:
X-ray crystal structure of beta secretase complexed with 4-(4-fluorobenzyl)piperidine
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

Chemicals

ChemComp-IOD:
IODIDE ION

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

ChemComp-CMZ:
(2S)-1-(2,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol

ChemComp-HOH:
WATER

ChemComp-1SQ:
ISOQUINOLIN-1-AMINE

ChemComp-2AQ:
QUINOLIN-2-AMINE

ChemComp-8AP:
N~3~-BENZYLPYRIDINE-2,3-DIAMINE

ChemComp-4FP:
4-(4-FLUOROBENZYL)PIPERIDINE

Source
  • homo sapiens (human)
KeywordsHYDROLASE / ALTERNATIVE SPLICING / ALZHEIMER'S DISEASE / ASPARTIC PROTEASE / ASPARTYL PROTEASE / BASE / BETA-SECRETASE / GLYCOPROTEIN / MEMAPSIN 2 / TRANSMEMBRANE / ZYMOGEN

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