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Structure paper

TitleDiscovery of LRE1 as a specific and allosteric inhibitor of soluble adenylyl cyclase.
Journal, issue, pagesNat. Chem. Biol., Vol. 12, Page 838-844, Year 2016
Publish dateMar 18, 2016 (structure data deposition date)
AuthorsRamos-Espiritu, L. / Kleinboelting, S. / Navarrete, F.A. / Alvau, A. / Visconti, P.E. / Valsecchi, F. / Starkov, A. / Manfredi, G. / Buck, H. / Adura, C. ...Ramos-Espiritu, L. / Kleinboelting, S. / Navarrete, F.A. / Alvau, A. / Visconti, P.E. / Valsecchi, F. / Starkov, A. / Manfredi, G. / Buck, H. / Adura, C. / Zippin, J.H. / van den Heuvel, J. / Glickman, J.F. / Steegborn, C. / Levin, L.R. / Buck, J.
External linksNat. Chem. Biol. / PubMed:27547922
MethodsX-ray diffraction
Resolution1.79 - 1.86 Å
Structure data

PDB-5iv3:
Crystal structure of human soluble adenylyl cyclase in complex with alpha,beta-methyleneadenosine-5'-triphosphate and the allosteric inhibitor LRE1
Method: X-RAY DIFFRACTION / Resolution: 1.86 Å

PDB-5iv4:
Crystal structure of the human soluble adenylyl cyclase in complex with the allosteric inhibitor LRE1
Method: X-RAY DIFFRACTION / Resolution: 1.79 Å

Chemicals

ChemComp-ACT:
ACETATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-LRI:
6-chloro-N~4~-cyclopropyl-N~4~-[(thiophen-2-yl)methyl]pyrimidine-2,4-diamine

ChemComp-APC:
DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER / AMP-CPP, energy-carrying molecule analogue*YM

ChemComp-CA:
Unknown entry

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

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

Source
  • homo sapiens (human)
KeywordsLYASE / human soluble adenylyl cyclase hsAC complex alpha / beta-methyleneadenosine-5'-triphosphate / allosteric inhibitor LRE1 / human soluble Adenylyl Cyclase complex LRE1 inhibitor

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