Author results

1SHD
  • Download 1shd
  • View 1shd
Molmil generated image of 1shd
PEPTIDE INHIBITORS OF SRC SH3-SH2-PHOSPHOPROTEIN INTERACTIONS
Descriptor:C-SRC TYROSINE KINASE SH2 DOMAIN, TRKA RECEPTOR
Authors:Gilmer, T., Jordan, S.
Deposit date:1994-11-10
Release date:1995-01-26
Last modified:2012-02-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Peptide inhibitors of src SH3-SH2-phosphoprotein interactions.
J.Biol.Chem., 269, 1994
1Y5R
  • Download 1y5r
  • View 1y5r
Molmil generated image of 1y5r
THE CRYSTAL STRUCTURE OF MURINE 11B-HYDROXYSTEROID DEHYDROGENASE COMPLEXED WITH CORTICOSTERONE
Descriptor:Corticosteroid 11-beta-dehydrogenase, isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Zhang, J., Osslund, T.D., Plant, M.H., Clogston, C.L., Nybo, R.E., Xiong, F., Delaney, J.M., Jordan, S.
Deposit date:2004-12-02
Release date:2005-05-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structure of Murine 11-Hydroxysteroid Dehydrogenase 1: An Important Therapeutic Target for Diabetes
Biochemistry, 44, 2005
1A07
  • Download 1a07
  • View 1a07
Molmil generated image of 1a07
C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-MALONYL TYR-GLU-(N,N-DIPENTYL AMINE)
Descriptor:C-SRC TYROSINE KINASE, ACE-MALONYL TYR-GLU-(N,N-DIPENTYL AMINE)
Authors:Shewchuk, L., Jordan, S.
Deposit date:1997-12-09
Release date:1998-04-08
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Peptide ligands of pp60(c-src) SH2 domains: a thermodynamic and structural study.
Biochemistry, 36, 1997
1A08
  • Download 1a08
  • View 1a08
Molmil generated image of 1a08
C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-DIFLUORO PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE)
Descriptor:C-SRC TYROSINE KINASE, ACE-DIFLUORO PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE)
Authors:Shewchuk, L., Jordan, S.
Deposit date:1997-12-09
Release date:1998-04-08
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Peptide ligands of pp60(c-src) SH2 domains: a thermodynamic and structural study.
Biochemistry, 36, 1997
1A09
  • Download 1a09
  • View 1a09
Molmil generated image of 1a09
C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-FORMYL PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE)
Descriptor:C-SRC TYROSINE KINASE, ACE-FORMYL PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE)
Authors:Shewchuk, L., Jordan, S.
Deposit date:1997-12-10
Release date:1998-04-08
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Peptide ligands of pp60(c-src) SH2 domains: a thermodynamic and structural study.
Biochemistry, 36, 1997
1A1A
  • Download 1a1a
  • View 1a1a
Molmil generated image of 1a1a
C-SRC (SH2 DOMAIN WITH C188A MUTATION) COMPLEXED WITH ACE-FORMYL PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE)
Descriptor:C-SRC TYROSINE KINASE, ACE-FORMYL PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE)
Authors:Shewchuk, L., Jordan, S.
Deposit date:1997-12-10
Release date:1998-04-08
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Peptide ligands of pp60(c-src) SH2 domains: a thermodynamic and structural study.
Biochemistry, 36, 1997
1A1B
  • Download 1a1b
  • View 1a1b
Molmil generated image of 1a1b
C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE)
Descriptor:C-SRC TYROSINE KINASE, ACE-PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE)
Authors:Shewchuk, L., Jordan, S.
Deposit date:1997-12-10
Release date:1998-04-08
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Peptide ligands of pp60(c-src) SH2 domains: a thermodynamic and structural study.
Biochemistry, 36, 1997
1A1C
  • Download 1a1c
  • View 1a1c
Molmil generated image of 1a1c
C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-PHOSPHOTYR-GLU-(N-ME(-(CH2)3-CYCLOPENTYL))
Descriptor:C-SRC TYROSINE KINASE, ACE-PHOSPHOTYR-GLU-(N-ME(-(CH2)3-CYCLOPENTYL))
Authors:Shewchuk, L., Jordan, S.
Deposit date:1997-12-10
Release date:1998-04-08
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Peptide ligands of pp60(c-src) SH2 domains: a thermodynamic and structural study.
Biochemistry, 36, 1997
1A1E
  • Download 1a1e
  • View 1a1e
Molmil generated image of 1a1e
C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-PHOSPHOTYR-GLU-(3-BUTYLPIPERIDINE)
Descriptor:C-SRC TYROSINE KINASE, ACE-PHOSPHOTYR-GLU-(3-BUTYLPIPERIDINE)
Authors:Shewchuk, L., Jordan, S.
Deposit date:1997-12-10
Release date:1998-04-08
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Peptide ligands of pp60(c-src) SH2 domains: a thermodynamic and structural study.
Biochemistry, 36, 1997
2RBE
  • Download 2rbe
  • View 2rbe
Molmil generated image of 2rbe
THE DISCOVERY OF 2-ANILINOTHIAZOLONES AS 11BETA-HSD1 INHIBITORS
Descriptor:Corticosteroid 11-beta-dehydrogenase isozyme 1, (5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhang, J., Jordan, S.R., Li, V.
Deposit date:2007-09-18
Release date:2008-01-15
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
4MUW
  • Download 4muw
  • View 4muw
Molmil generated image of 4muw
CRYSTAL STRUCTURE OF PDE10A WITH NOVEL KETO-BENZIMIDAZOLE INHIBITOR
Descriptor:cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, ZINC ION, SULFATE ION, ...
Authors:Chmait, S., Jordan, S.
Deposit date:2013-09-23
Release date:2013-10-23
Last modified:2014-01-15
Method:X-RAY DIFFRACTION (2.639 Å)
Cite:Design, Optimization, and Biological Evaluation of Novel Keto-Benzimidazoles as Potent and Selective Inhibitors of Phosphodiesterase 10A (PDE10A).
J.Med.Chem., 56, 2013
4MVH
  • Download 4mvh
  • View 4mvh
Molmil generated image of 4mvh
CRYSTAL STRUCTURE OF PDE10A WITH NOVEL KETO-BENZIMIDAZOLE INHIBITOR
Descriptor:cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, ZINC ION, SULFATE ION, ...
Authors:Chmait, S., Jordan, S.
Deposit date:2013-09-24
Release date:2013-10-23
Last modified:2014-01-15
Method:X-RAY DIFFRACTION (2.496 Å)
Cite:Design, Optimization, and Biological Evaluation of Novel Keto-Benzimidazoles as Potent and Selective Inhibitors of Phosphodiesterase 10A (PDE10A).
J.Med.Chem., 56, 2013
3GFE
  • Download 3gfe
  • View 3gfe
Molmil generated image of 3gfe
CRYSTAL STRUCTURE OF P38A MITOGEN-ACTIVATED PROTEIN KINASE IN COMPLEX WITH A PYRAZOLOPYRIDINONE INHIBITOR
Descriptor:Mitogen-activated protein kinase 14, N-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide
Authors:Mohr, C., Jordan, S.
Deposit date:2009-02-26
Release date:2009-07-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Part 1: Structure-Activity Relationship (SAR) investigations of fused pyrazoles as potent, selective and orally available inhibitors of p38alpha mitogen-activated protein kinase.
Bioorg.Med.Chem.Lett., 19, 2009
3LHJ
  • Download 3lhj
  • View 3lhj
Molmil generated image of 3lhj
CRYSTAL STRUCTURE OF P38A MITOGEN-ACTIVATED PROTEIN KINASE IN COMPLEX WITH A PYRAZOLOPYRIDINONE INHIBITOR.
Descriptor:Mitogen-activated protein kinase 14, N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-4-methylbenzamide
Authors:Mohr, C., Jordan, S.
Deposit date:2010-01-22
Release date:2010-04-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Discovery and evaluation of 7-alkyl-1,5-bis-aryl-pyrazolopyridinones as highly potent, selective, and orally efficacious inhibitors of p38alpha mitogen-activated protein kinase.
J.Med.Chem., 53, 2010
4DDL
  • Download 4ddl
  • View 4ddl
Molmil generated image of 4ddl
PDE10A CRYSTAL STRUCTURE COMPLEXED WITH NOVEL INHIBITOR
Descriptor:cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, ZINC ION, SULFATE ION, ...
Authors:Chmait, S., Jordan, S., Zhang, J.
Deposit date:2012-01-18
Release date:2012-03-21
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Discovery of potent, selective, and metabolically stable 4-(pyridin-3-yl)cinnolines as novel phosphodiesterase 10A (PDE10A) inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4HEU
  • Download 4heu
  • View 4heu
Molmil generated image of 4heu
CRYSTAL STRUCTURE OF PDE10A WITH A BIARYL ETHER INHIBITOR ((1-(3-(4-((1H-BENZO[D]IMIDAZOL-2-YL)AMINO)PHENOXY)PYRIDIN-2-YL)PIPERIDIN-4-YL)METHANOL)
Descriptor:cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, ZINC ION, SULFATE ION, ...
Authors:Chmait, S., Jordan, S.
Deposit date:2012-10-04
Release date:2012-12-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of selective biaryl ethers as PDE10A inhibitors: Improvement in potency and mitigation of Pgp-mediated efflux.
Bioorg.Med.Chem.Lett., 22, 2012
4HF4
  • Download 4hf4
  • View 4hf4
Molmil generated image of 4hf4
CRYSTAL STRUCTURE OF PDE10A WITH A BIARYL ETHER INHIBITOR (1-(1-(3-(4-(BENZO[D]THIAZOL-2-YLAMINO)PHENOXY)PYRAZIN-2-YL)PIPERIDIN-4-YL)ETHANOL)
Descriptor:cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, ZINC ION, SULFATE ION, ...
Authors:Chmait, S., Jordan, S.
Deposit date:2012-10-04
Release date:2012-12-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of selective biaryl ethers as PDE10A inhibitors: Improvement in potency and mitigation of Pgp-mediated efflux.
Bioorg.Med.Chem.Lett., 22, 2012
3ITZ
  • Download 3itz
  • View 3itz
Molmil generated image of 3itz
CRYSTAL STRUCTURE OF P38A MITOGEN-ACTIVATED PROTEIN KINASE IN COMPLEX WITH A PYRAZOLOPYRIDAZINE INHIBITOR
Descriptor:Mitogen-activated protein kinase 14, 4-chloro-N-cyclopropyl-3-{[1-(2,6-difluorophenyl)-1H-pyrazolo[3,4-d]pyridazin-4-yl]amino}benzamide
Authors:Mohr, C., Jordan, S.
Deposit date:2009-08-28
Release date:2010-03-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Part 2: Structure-activity relationship (SAR) investigations of fused pyrazoles as potent, selective and orally available inhibitors of p38alpha mitogen-activated protein kinase.
Bioorg.Med.Chem.Lett., 20, 2010
3U8W
  • Download 3u8w
  • View 3u8w
Molmil generated image of 3u8w
CRYSTAL STRUCTURE OF P38A MITOGEN-ACTIVATED PROTEIN KINASE IN COMPLEX WITH A TRIAZOLOPYRIDAZINONE INHIBITOR
Descriptor:Mitogen-activated protein kinase 14, 3-[3-(2-chloro-6-fluorophenyl)-5-ethyl-6-oxo-5,6-dihydro[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-N-cyclopropyl-4-methylbenzamide
Authors:Mohr, C., Jordan, S.
Deposit date:2011-10-17
Release date:2012-08-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Identification of triazolopyridazinones as potent p38alpha inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
2G19
  • Download 2g19
  • View 2g19
Molmil generated image of 2g19
CELLULAR OXYGEN SENSING: CRYSTAL STRUCTURE OF HYPOXIA-INDUCIBLE FACTOR PROLYL HYDROXYLASE (PHD2)
Descriptor:Egl nine homolog 1, FE (II) ION, N-[(4-HYDROXY-8-IODOISOQUINOLIN-3-YL)CARBONYL]GLYCINE
Authors:Syed, R.S., Li, V.
Deposit date:2006-02-14
Release date:2006-06-13
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Cellular oxygen sensing: Crystal structure of hypoxia-inducible factor prolyl hydroxylase (PHD2).
Proc.Natl.Acad.Sci.Usa, 103, 2006
2G1M
  • Download 2g1m
  • View 2g1m
Molmil generated image of 2g1m
CELLULAR OXYGEN SENSING: CRYSTAL STRUCTURE OF HYPOXIA-INDUCIBLE FACTOR PROLYL HYDROXYLASE (PHD2)
Descriptor:Egl nine homolog 1, FE (II) ION, N-[(4-HYDROXY-8-IODOISOQUINOLIN-3-YL)CARBONYL]GLYCINE
Authors:Mcdonough, M.A., Schofield, C.J.
Deposit date:2006-02-14
Release date:2006-06-13
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Cellular oxygen sensing: Crystal structure of hypoxia-inducible factor prolyl hydroxylase (PHD2).
Proc.Natl.Acad.Sci.Usa, 103, 2006
1HCS
  • Download 1hcs
  • View 1hcs
Molmil generated image of 1hcs
NMR STRUCTURE OF THE HUMAN SRC SH2 DOMAIN COMPLEX
Descriptor:ACETYL-PYEEIE-OH, HUMAN SRC
Authors:Gampe Junior, R.T., Xu, R.X.
Deposit date:1994-09-02
Release date:1995-09-15
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of the human pp60c-src SH2 domain complexed with a phosphorylated tyrosine pentapeptide.
Biochemistry, 34, 1995
1HCT
  • Download 1hct
  • View 1hct
Molmil generated image of 1hct
NMR STRUCTURE OF THE HUMAN SRC SH2 DOMAIN COMPLEX
Descriptor:ACETYL-PYEEIE-OH, HUMAN SRC
Authors:Gampe Junior, R.T., Xu, R.X.
Deposit date:1994-09-02
Release date:1995-09-15
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of the human pp60c-src SH2 domain complexed with a phosphorylated tyrosine pentapeptide.
Biochemistry, 34, 1995
2Y33
  • Download 2y33
  • View 2y33
Molmil generated image of 2y33
S-NITROSYLATED PHD2 (GSNO SOAKED) IN COMPLEX WITH ZN(II) AND UN9
Descriptor:EGL NINE HOMOLOG 1, ZINC ION, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE
Authors:Chowdhury, R., Clifton, I.J., Schofield, C.J.
Deposit date:2010-12-18
Release date:2010-12-29
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Studies on the Reaction of Nitric Oxide with the Hypoxia-Inducible Factor Prolyl Hydroxylase Domain 2 (Egln1)
J.Mol.Biol., 410, 2011
2Y34
  • Download 2y34
  • View 2y34
Molmil generated image of 2y34
S-NITROSYLATED PHD2 (NO EXPOSED) IN COMPLEX WITH FE(II) AND UN9
Descriptor:EGL NINE HOMOLOG 1, FE (II) ION, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE
Authors:Chowdhury, R., McDonough, M.A., Schofield, C.J.
Deposit date:2010-12-18
Release date:2010-12-29
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Studies on the reaction of nitric oxide with the hypoxia-inducible factor prolyl hydroxylase domain 2 (EGLN1).
J. Mol. Biol., 410, 2011
<12>