Author results

6NJH
  • Download 6njh
  • View 6njh
Molmil generated image of 6njh
CRYSTAL STRUCTURE OF THE PDE4D CATALYTIC DOMAIN AND UCR2 REGULATORY HELIX WITH T-48
Descriptor:cAMP-specific 3',5'-cyclic phosphodiesterase 4D, ZINC ION, MAGNESIUM ION, ...
Authors:Fox III, D., Fairman, J.W., Gurney, M.E.
Deposit date:2019-01-03
Release date:2019-05-08
Last modified:2019-06-05
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Design and Synthesis of Selective Phosphodiesterase 4D (PDE4D) Allosteric Inhibitors for the Treatment of Fragile X Syndrome and Other Brain Disorders.
J.Med.Chem., 62, 2019
6NJI
  • Download 6nji
  • View 6nji
Molmil generated image of 6nji
CRYSTAL STRUCTURE OF THE PDE4D CATALYTIC DOMAIN AND UCR2 REGULATORY HELIX WITH T-49
Descriptor:cAMP-specific 3',5'-cyclic phosphodiesterase 4D, ZINC ION, MAGNESIUM ION, ...
Authors:Fox III, D., Fairman, J.W., Gurney, M.E.
Deposit date:2019-01-03
Release date:2019-05-08
Last modified:2019-06-05
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Design and Synthesis of Selective Phosphodiesterase 4D (PDE4D) Allosteric Inhibitors for the Treatment of Fragile X Syndrome and Other Brain Disorders.
J.Med.Chem., 62, 2019
6NJJ
  • Download 6njj
  • View 6njj
Molmil generated image of 6njj
CRYSTAL STRUCTURE OF THE PDE4D CATALYTIC DOMAIN AND UCR2 REGULATORY HELIX WITH BPN14770
Descriptor:cAMP-specific 3',5'-cyclic phosphodiesterase 4D, ZINC ION, MAGNESIUM ION, ...
Authors:Fox III, D., Fairman, J.W., Gurney, M.E.
Deposit date:2019-01-03
Release date:2019-05-08
Last modified:2019-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design and Synthesis of Selective Phosphodiesterase 4D (PDE4D) Allosteric Inhibitors for the Treatment of Fragile X Syndrome and Other Brain Disorders.
J.Med.Chem., 62, 2019
6BOJ
  • Download 6boj
  • View 6boj
Molmil generated image of 6boj
CRYSTAL STRUCTURE OF THE PDE4D CATALYTIC DOMAIN AND UCR2 REGULATORY HELIX WITH BPN5004
Descriptor:cAMP-specific 3',5'-cyclic phosphodiesterase 4D, ZINC ION, MAGNESIUM ION, ...
Authors:Fox III, D., Fairman, J.W., Gurney, M.E.
Deposit date:2017-11-20
Release date:2018-08-22
Last modified:2018-09-26
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Memory enhancing effects of BPN14770, an allosteric inhibitor of phosphodiesterase-4D, in wild-type and humanized mice.
Neuropsychopharmacology, 43, 2018
3BL7
  • Download 3bl7
  • View 3bl7
Molmil generated image of 3bl7
SYNTHETIC GENE ENCODED DCPS BOUND TO INHIBITOR DG156844
Descriptor:Scavenger mRNA-decapping enzyme DcpS, 5-{[1-(2-fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine
Authors:Staker, B.L., Christensen, J., Stewart, L., Accelerated Technologies Center for Gene to 3D Structure (ATCG3D)
Deposit date:2007-12-10
Release date:2008-10-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:DcpS as a therapeutic target for spinal muscular atrophy.
Acs Chem.Biol., 3, 2008
3BL9
  • Download 3bl9
  • View 3bl9
Molmil generated image of 3bl9
SYNTHETIC GENE ENCODED DCPS BOUND TO INHIBITOR DG157493
Descriptor:Scavenger mRNA-decapping enzyme DcpS, 5-{[1-(2,3-dichlorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine
Authors:Staker, B.L., Christensen, J., Stewart, L., Accelerated Technologies Center for Gene to 3D Structure (ATCG3D)
Deposit date:2007-12-10
Release date:2008-10-21
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:DcpS as a therapeutic target for spinal muscular atrophy.
Acs Chem.Biol., 3, 2008
3BLA
  • Download 3bla
  • View 3bla
Molmil generated image of 3bla
SYNTHETIC GENE ENCODED DCPS BOUND TO INHIBITOR DG153249
Descriptor:Scavenger mRNA-decapping enzyme DcpS, 5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine
Authors:Staker, B.L., Christensen, J., Stewart, L., Accelerated Technologies Center for Gene to 3D Structure (ATCG3D)
Deposit date:2007-12-10
Release date:2008-10-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:DcpS as a therapeutic target for spinal muscular atrophy.
Acs Chem.Biol., 3, 2008
3FH5
  • Download 3fh5
  • View 3fh5
Molmil generated image of 3fh5
LEUKOTRIENE A4 HYDROLASE COMPLEXED WITH INHIBITOR (2R)-2-[(4-BENZYLPHENOXY)METHYL]PYRROLIDINE.
Descriptor:Leukotriene A-4 hydrolase, ZINC ION, YTTERBIUM (III) ION, ...
Authors:Mamat, B., Davies, D.R.
Deposit date:2008-12-08
Release date:2010-01-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
3FH7
  • Download 3fh7
  • View 3fh7
Molmil generated image of 3fh7
LEUKOTRIENE A4 HYDROLASE COMPLEXED WITH INHIBITOR 4-[(2S)-2-{[4-(4-CHLOROPHENOXY)PHENOXY]METHYL}PYRROLIDIN-1-YL]BUTANOATE.
Descriptor:Leukotriene A-4 hydrolase, ZINC ION, YTTERBIUM (III) ION, ...
Authors:Mamat, B., Davies, D.R.
Deposit date:2008-12-08
Release date:2010-01-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
3FH8
  • Download 3fh8
  • View 3fh8
Molmil generated image of 3fh8
LEUKOTRIENE A4 HYDROLASE COMPLEXED WITH INHIBITOR 1-[2-(4-BENZYLPHENOXY)ETHYL]PYRROLIDINE.
Descriptor:Leukotriene A-4 hydrolase, ZINC ION, YTTERBIUM (III) ION, ...
Authors:Mamat, B., Davies, D.R.
Deposit date:2008-12-09
Release date:2010-01-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
3FHE
  • Download 3fhe
  • View 3fhe
Molmil generated image of 3fhe
LEUKOTRIENE A4 HYDROLASE COMPLEXED WITH INHIBITOR N-[3-(4-BENZYLPHENOXY)PROPYL]-N-METHYL-BETA-ALANINE.
Descriptor:Leukotriene A-4 hydrolase, ZINC ION, YTTERBIUM (III) ION, ...
Authors:Mamat, B., Davies, D.R.
Deposit date:2008-12-09
Release date:2010-01-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
3FTS
  • Download 3fts
  • View 3fts
Molmil generated image of 3fts
LEUKOTRIENE A4 HYDROLASE IN COMPLEX WITH RESVERATROL
Descriptor:Leukotriene A-4 hydrolase, ZINC ION, YTTERBIUM (III) ION, ...
Authors:Davies, D.R.
Deposit date:2009-01-13
Release date:2009-07-28
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FTU
  • Download 3ftu
  • View 3ftu
Molmil generated image of 3ftu
LEUKOTRIENE A4 HYDROLASE IN COMPLEX WITH DIHYDRORESVERATROL
Descriptor:Leukotriene A-4 hydrolase, ZINC ION, YTTERBIUM (III) ION, ...
Authors:Davies, D.R.
Deposit date:2009-01-13
Release date:2009-07-28
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FTV
  • Download 3ftv
  • View 3ftv
Molmil generated image of 3ftv
LEUKOTRIENE A4 HYDROLASE IN COMPLEX WITH FRAGMENT N-(PYRIDIN-3-YLMETHYL)ANILINE
Descriptor:Leukotriene A-4 hydrolase, ZINC ION, YTTERBIUM (III) ION, ...
Authors:Davies, D.R.
Deposit date:2009-01-13
Release date:2009-07-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FTW
  • Download 3ftw
  • View 3ftw
Molmil generated image of 3ftw
LEUKOTRIENE A4 HYDROLASE IN COMPLEX WITH FRAGMENTS N-(PYRIDIN-3-YLMETHYL)ANILINE AND ACETATE
Descriptor:Leukotriene A-4 hydrolase, ZINC ION, YTTERBIUM (III) ION, ...
Authors:Davies, D.R.
Deposit date:2009-01-13
Release date:2009-07-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FTX
  • Download 3ftx
  • View 3ftx
Molmil generated image of 3ftx
LEUKOTRIENE A4 HYDROLASE IN COMPLEX WITH DIHYDRORESVERATROL AND BESTATIN
Descriptor:Leukotriene A-4 hydrolase, ZINC ION, YTTERBIUM (III) ION, ...
Authors:Davies, D.R.
Deposit date:2009-01-13
Release date:2009-07-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FTY
  • Download 3fty
  • View 3fty
Molmil generated image of 3fty
LEUKOTRIENE A4 HYDROLASE IN COMPLEX WITH FRAGMENT 3-(BENZYLOXY)PYRIDIN-2-AMINE
Descriptor:Leukotriene A-4 hydrolase, ZINC ION, YTTERBIUM (III) ION, ...
Authors:Davies, D.R.
Deposit date:2009-01-13
Release date:2009-07-28
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FTZ
  • Download 3ftz
  • View 3ftz
Molmil generated image of 3ftz
LEUKOTRIENE A4 HYDROLASE IN COMPLEX WITH FRAGMENT 2-(PYRIDIN-3-YLMETHOXY)ANILINE
Descriptor:Leukotriene A-4 hydrolase, ZINC ION, YTTERBIUM (III) ION, ...
Authors:Davies, D.R.
Deposit date:2009-01-13
Release date:2010-01-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
3FU0
  • Download 3fu0
  • View 3fu0
Molmil generated image of 3fu0
LEUKOTRIENE A4 HYDROLASE IN COMPLEX WITH FRAGMENT 4-(4-FLUOROBENZOYL)PYRIDINE
Descriptor:Leukotriene A-4 hydrolase, ZINC ION, YTTERBIUM (III) ION, ...
Authors:Davies, D.R.
Deposit date:2009-01-13
Release date:2009-07-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FU3
  • Download 3fu3
  • View 3fu3
Molmil generated image of 3fu3
LEUKOTRIENE A4 HYDROLASE IN COMPLEX WITH FRAGMENT 4-(2-AMINO-1,3-THIAZOL-4-YL)PHENOL
Descriptor:Leukotriene A-4 hydrolase, ZINC ION, YTTERBIUM (III) ION, ...
Authors:Davies, D.R.
Deposit date:2009-01-13
Release date:2009-07-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FU5
  • Download 3fu5
  • View 3fu5
Molmil generated image of 3fu5
LEUKOTRIENE A4 HYDROLASE IN COMPLEX WITH (5-THIOPHEN-2-YLTHIOPHEN-2-YL)METHYLAMINE
Descriptor:Leukotriene A-4 hydrolase, ZINC ION, YTTERBIUM (III) ION, ...
Authors:Davies, D.R.
Deposit date:2009-01-14
Release date:2009-07-28
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FU6
  • Download 3fu6
  • View 3fu6
Molmil generated image of 3fu6
LEUKOTRIENE A4 HYDROLASE IN COMPLEX WITH FRAGMENT (4-THIOPHEN-2-YLPHENYL)METHANAMINE
Descriptor:Leukotriene A-4 hydrolase, ZINC ION, YTTERBIUM (III) ION, ...
Authors:Davies, D.R.
Deposit date:2009-01-14
Release date:2009-07-28
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FUD
  • Download 3fud
  • View 3fud
Molmil generated image of 3fud
LEUKOTRIENE A4 HYDROLASE IN COMPLEX WITH N-METHYL-1-(2-THIOPHEN-2-YLPHENYL)METHANAMINE
Descriptor:Leukotriene A-4 hydrolase, ZINC ION, YTTERBIUM (III) ION, ...
Authors:Davies, D.R.
Deposit date:2009-01-14
Release date:2009-07-28
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FUE
  • Download 3fue
  • View 3fue
Molmil generated image of 3fue
LEUKOTRIENE A4 HYDROLASE IN COMPLEX WITH FRAGMENT 5-CHLOROINDOLE AND BESTATIN
Descriptor:Leukotriene A-4 hydrolase, ZINC ION, YTTERBIUM (III) ION, ...
Authors:Davies, D.R.
Deposit date:2009-01-14
Release date:2009-07-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FUF
  • Download 3fuf
  • View 3fuf
Molmil generated image of 3fuf
LEUKOTRIENE A4 HYDROLASE IN COMPLEX WITH FRAGMENT 5-FLUOROINDOLE AND BESTATIN
Descriptor:Leukotriene A-4 hydrolase, ZINC ION, YTTERBIUM (III) ION, ...
Authors:Davies, D.R.
Deposit date:2009-01-14
Release date:2009-07-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
<12>