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Structure paper

TitleDesign of phosphodiesterase 4D (PDE4D) allosteric modulators for enhancing cognition with improved safety.
Journal, issue, pagesNat. Biotechnol., Vol. 28, Page 63-70, Year 2010
Publish dateFeb 3, 2009 (structure data deposition date)
AuthorsBurgin, A.B. / Magnusson, O.T. / Singh, J. / Witte, P. / Staker, B.L. / Bjornsson, J.M. / Thorsteinsdottir, M. / Hrafnsdottir, S. / Hagen, T. / Kiselyov, A.S. ...Burgin, A.B. / Magnusson, O.T. / Singh, J. / Witte, P. / Staker, B.L. / Bjornsson, J.M. / Thorsteinsdottir, M. / Hrafnsdottir, S. / Hagen, T. / Kiselyov, A.S. / Stewart, L.J. / Gurney, M.E.
External linksNat. Biotechnol. / PubMed:20037581
MethodsX-ray diffraction
Resolution1.9 - 2.65 Å
Structure data

PDB-3g45:
Crystal structure of human phosphodiesterase 4b with regulatory domain and d155988
Method: X-RAY DIFFRACTION / Resolution: 2.63 Å

PDB-3g4g:
Crystal structure of human phosphodiesterase 4d with regulatory domain and d155871
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-3g4i:
Crystal structure of human phosphodiesterase 4d with d155871
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-3g4k:
Crystal structure of human phosphodiesterase 4d with rolipram
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-3g4l:
Crystal structure of human phosphodiesterase 4d with roflumilast
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-3g58:
Crystal structure of human phosphodiesterase 4d with d155988/pmnpq
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

PDB-3iad:
Crystal structure of human phosphodiesterase 4D with bound allosteric modulator
Method: X-RAY DIFFRACTION / Resolution: 2.65 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-MG:
Unknown entry

ChemComp-988:
8-(3-nitrophenyl)-6-(pyridin-4-ylmethyl)quinoline

ChemComp-HOH:
WATER

ChemComp-CA:
Unknown entry

ChemComp-D71:
1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione

ChemComp-SO4:
SULFATE ION

ChemComp-EOH:
ETHANOL

ChemComp-ROL:
ROLIPRAM

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-ROF:
3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDE

ChemComp-15X:
1-{4-[(2-fluoro-6-methoxy-3'-nitrobiphenyl-3-yl)methyl]phenyl}urea

ChemComp-EPE:
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID / pH buffer*YM

Source
  • homo sapiens (human)
KeywordsHYDROLASE / phosphodiesterase / Alternative splicing / cAMP / Phosphoprotein / Polymorphism / PDE4D / UCR2 / Cytoplasm / Cytoskeleton / Membrane / Metal-binding / Allosteric modulatory / inhibitor

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