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Structure paper

TitleZwitter ionic potent durable orally active Factor Xa inhibitor.
Journal, issue, pagesTo be Published
Publish dateAug 25, 2011 (structure data deposition date)
AuthorsMochizuki, A. / Nagata, T. / Takano, H. / Kanno, H. / Kishida, M. / Suzuki, M. / Ohta, T.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.8 - 2.2 Å
Structure data

PDB-3tk5:
Factor Xa in complex with D102-4380
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-3tk6:
factor Xa in complex with D46-5241
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-CA:
Unknown entry

ChemComp-D1Q:
4-{3-[(4-chlorophenyl)amino]-3-oxopropyl}-3-({[5-(propan-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]carbonyl}amino)benzoic acid

ChemComp-HOH:
WATER

ChemComp-D46:
N-[2-({[(5-chlorothiophen-2-yl)carbonyl]amino}methyl)phenyl]-5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / GLYCOPROTEIN / HYDROLASE / SERINE PROTEASE / PLASMA / BLOOD / COAGULATION FACTOR / CALCIUM-BINDING / HYDROLASE-HYDROLASE INHIBITOR complex

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