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8SPP
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BU of 8spp by Molmil
Crystal structure of a heme enzyme RufO in rufomycin biosynthesis
分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Wang, Y, Jordan, S, Li, B.
登録日2023-05-03
公開日2023-08-23
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structural and spectroscopic characterization of RufO indicates a new biological role in rufomycin biosynthesis.
J.Biol.Chem., 299, 2023
1SHD
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BU of 1shd by Molmil
PEPTIDE INHIBITORS OF SRC SH3-SH2-PHOSPHOPROTEIN INTERACTIONS
分子名称: C-SRC TYROSINE KINASE SH2 DOMAIN, TRKA RECEPTOR
著者Gilmer, T, Jordan, S.
登録日1994-11-10
公開日1995-01-26
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Peptide inhibitors of src SH3-SH2-phosphoprotein interactions.
J.Biol.Chem., 269, 1994
1Y5R
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BU of 1y5r by Molmil
The crystal structure of murine 11b-hydroxysteroid dehydrogenase complexed with corticosterone
分子名称: CORTICOSTERONE, Corticosteroid 11-beta-dehydrogenase, isozyme 1, ...
著者Zhang, J, Osslund, T.D, Plant, M.H, Clogston, C.L, Nybo, R.E, Xiong, F, Delaney, J.M, Jordan, S.
登録日2004-12-02
公開日2005-05-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal Structure of Murine 11-Hydroxysteroid Dehydrogenase 1: An Important Therapeutic Target for Diabetes
Biochemistry, 44, 2005
2RBE
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BU of 2rbe by Molmil
The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors
分子名称: (5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zhang, J, Jordan, S.R, Li, V.
登録日2007-09-18
公開日2008-01-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
1A1A
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BU of 1a1a by Molmil
C-SRC (SH2 DOMAIN WITH C188A MUTATION) COMPLEXED WITH ACE-FORMYL PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE)
分子名称: ACE-FORMYL PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE), C-SRC TYROSINE KINASE
著者Shewchuk, L, Jordan, S.
登録日1997-12-10
公開日1998-04-08
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Peptide ligands of pp60(c-src) SH2 domains: a thermodynamic and structural study.
Biochemistry, 36, 1997
1A09
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BU of 1a09 by Molmil
C-src (SH2 domain) complexed with ace-formyl phosphotyr-glu-(n,n-dipentyl amine)
分子名称: ACE-FORMYL PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE), C-SRC TYROSINE KINASE
著者Shewchuk, L, Jordan, S.
登録日1997-12-10
公開日1998-04-08
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Peptide ligands of pp60(c-src) SH2 domains: a thermodynamic and structural study.
Biochemistry, 36, 1997
1A1E
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BU of 1a1e by Molmil
C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-PHOSPHOTYR-GLU-(3-BUTYLPIPERIDINE)
分子名称: ACE-PHOSPHOTYR-GLU-(3-BUTYLPIPERIDINE), C-SRC TYROSINE KINASE
著者Shewchuk, L, Jordan, S.
登録日1997-12-10
公開日1998-04-08
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Peptide ligands of pp60(c-src) SH2 domains: a thermodynamic and structural study.
Biochemistry, 36, 1997
1A08
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BU of 1a08 by Molmil
C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-DIFLUORO PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE)
分子名称: ACE-DIFLUORO PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE), C-SRC TYROSINE KINASE
著者Shewchuk, L, Jordan, S.
登録日1997-12-09
公開日1998-04-08
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Peptide ligands of pp60(c-src) SH2 domains: a thermodynamic and structural study.
Biochemistry, 36, 1997
1A1C
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BU of 1a1c by Molmil
C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-PHOSPHOTYR-GLU-(N-ME(-(CH2)3-CYCLOPENTYL))
分子名称: ACE-PHOSPHOTYR-GLU-(N-ME(-(CH2)3-CYCLOPENTYL)), C-SRC TYROSINE KINASE
著者Shewchuk, L, Jordan, S.
登録日1997-12-10
公開日1998-04-08
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Peptide ligands of pp60(c-src) SH2 domains: a thermodynamic and structural study.
Biochemistry, 36, 1997
1A07
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BU of 1a07 by Molmil
C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-MALONYL TYR-GLU-(N,N-DIPENTYL AMINE)
分子名称: ACE-MALONYL TYR-GLU-(N,N-DIPENTYL AMINE), C-SRC TYROSINE KINASE
著者Shewchuk, L, Jordan, S.
登録日1997-12-09
公開日1998-04-08
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Peptide ligands of pp60(c-src) SH2 domains: a thermodynamic and structural study.
Biochemistry, 36, 1997
1A1B
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BU of 1a1b by Molmil
C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE)
分子名称: ACE-PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE), C-SRC TYROSINE KINASE
著者Shewchuk, L, Jordan, S.
登録日1997-12-10
公開日1998-04-08
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Peptide ligands of pp60(c-src) SH2 domains: a thermodynamic and structural study.
Biochemistry, 36, 1997
3LHJ
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BU of 3lhj by Molmil
Crystal Structure of p38a Mitogen-Activated Protein Kinase in Complex with a Pyrazolopyridinone Inhibitor.
分子名称: 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
著者Mohr, C, Jordan, S.
登録日2010-01-22
公開日2010-04-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献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
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BU of 4ddl by Molmil
PDE10a Crystal Structure Complexed with Novel Inhibitor
分子名称: 2-{1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methylpyridin-2-yl]piperidin-4-yl}propan-2-ol, SULFATE ION, ZINC ION, ...
著者Chmait, S, Jordan, S, Zhang, J.
登録日2012-01-18
公開日2012-03-21
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Discovery of potent, selective, and metabolically stable 4-(pyridin-3-yl)cinnolines as novel phosphodiesterase 10A (PDE10A) inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4HF4
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BU of 4hf4 by Molmil
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)
分子名称: (1S)-1-(1-{3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl}piperidin-4-yl)ethanol, GLYCEROL, SULFATE ION, ...
著者Chmait, S, Jordan, S.
登録日2012-10-04
公開日2012-12-12
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of selective biaryl ethers as PDE10A inhibitors: Improvement in potency and mitigation of Pgp-mediated efflux.
Bioorg.Med.Chem.Lett., 22, 2012
4HEU
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BU of 4heu by Molmil
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)
分子名称: (1-{3-[4-(1H-benzimidazol-2-ylamino)phenoxy]pyridin-2-yl}piperidin-4-yl)methanol, SULFATE ION, ZINC ION, ...
著者Chmait, S, Jordan, S.
登録日2012-10-04
公開日2012-12-12
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of selective biaryl ethers as PDE10A inhibitors: Improvement in potency and mitigation of Pgp-mediated efflux.
Bioorg.Med.Chem.Lett., 22, 2012
2G19
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BU of 2g19 by Molmil
Cellular Oxygen Sensing: Crystal Structure of Hypoxia-Inducible Factor Prolyl Hydroxylase (PHD2)
分子名称: Egl nine homolog 1, FE (II) ION, N-[(4-HYDROXY-8-IODOISOQUINOLIN-3-YL)CARBONYL]GLYCINE
著者Syed, R.S, Li, V.
登録日2006-02-14
公開日2006-06-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Cellular oxygen sensing: Crystal structure of hypoxia-inducible factor prolyl hydroxylase (PHD2).
Proc.Natl.Acad.Sci.Usa, 103, 2006
2G1M
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BU of 2g1m by Molmil
Cellular Oxygen Sensing: Crystal Structure of Hypoxia-Inducible Factor Prolyl Hydroxylase (PHD2)
分子名称: Egl nine homolog 1, FE (II) ION, N-[(4-HYDROXY-8-IODOISOQUINOLIN-3-YL)CARBONYL]GLYCINE
著者Mcdonough, M.A, Schofield, C.J.
登録日2006-02-14
公開日2006-06-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Cellular oxygen sensing: Crystal structure of hypoxia-inducible factor prolyl hydroxylase (PHD2).
Proc.Natl.Acad.Sci.Usa, 103, 2006
2Y34
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BU of 2y34 by Molmil
S-nitrosylated PHD2 (NO exposed) in complex with Fe(II) and UN9
分子名称: EGL NINE HOMOLOG 1, FE (II) ION, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE
著者Chowdhury, R, McDonough, M.A, Schofield, C.J.
登録日2010-12-18
公開日2010-12-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Studies on the reaction of nitric oxide with the hypoxia-inducible factor prolyl hydroxylase domain 2 (EGLN1).
J. Mol. Biol., 410, 2011
2Y33
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BU of 2y33 by Molmil
S-nitrosylated PHD2 (GSNO soaked) in complex with Zn(II) and UN9
分子名称: EGL NINE HOMOLOG 1, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE, ZINC ION
著者Chowdhury, R, Clifton, I.J, Schofield, C.J.
登録日2010-12-18
公開日2010-12-29
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Studies on the Reaction of Nitric Oxide with the Hypoxia-Inducible Factor Prolyl Hydroxylase Domain 2 (Egln1)
J.Mol.Biol., 410, 2011
3GFE
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BU of 3gfe by Molmil
Crystal Structure of p38a Mitogen-Activated Protein Kinase in Complex with a Pyrazolopyridinone Inhibitor
分子名称: 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
著者Mohr, C, Jordan, S.
登録日2009-02-26
公開日2009-07-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
3U8W
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BU of 3u8w by Molmil
Crystal Structure of p38a Mitogen-Activated Protein Kinase in Complex with a Triazolopyridazinone inhibitor
分子名称: 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, Mitogen-activated protein kinase 14
著者Mohr, C, Jordan, S.
登録日2011-10-17
公開日2012-08-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Identification of triazolopyridazinones as potent p38alpha inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
3ITZ
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BU of 3itz by Molmil
Crystal Structure of p38a Mitogen-Activated Protein Kinase in Complex with a Pyrazolopyridazine Inhibitor
分子名称: 4-chloro-N-cyclopropyl-3-{[1-(2,6-difluorophenyl)-1H-pyrazolo[3,4-d]pyridazin-4-yl]amino}benzamide, Mitogen-activated protein kinase 14
著者Mohr, C, Jordan, S.
登録日2009-08-28
公開日2010-03-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献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
4MVH
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BU of 4mvh by Molmil
Crystal Structure of PDE10A with Novel Keto-Benzimidazole Inhibitor
分子名称: 1H-benzimidazol-2-yl(4-{[3-(morpholin-4-yl)pyrazin-2-yl]oxy}phenyl)methanone, SULFATE ION, ZINC ION, ...
著者Chmait, S, Jordan, S.
登録日2013-09-24
公開日2013-10-23
最終更新日2014-01-15
実験手法X-RAY DIFFRACTION (2.496 Å)
主引用文献Design, Optimization, and Biological Evaluation of Novel Keto-Benzimidazoles as Potent and Selective Inhibitors of Phosphodiesterase 10A (PDE10A).
J.Med.Chem., 56, 2013
4MUW
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BU of 4muw by Molmil
Crystal Structure of PDE10A with Novel Keto-Benzimidazole Inhibitor
分子名称: 2-{4-[(6,7-difluoro-1H-benzimidazol-2-yl)amino]phenoxy}-N-methyl-3,4'-bipyridin-2'-amine, GLYCEROL, SULFATE ION, ...
著者Chmait, S, Jordan, S.
登録日2013-09-23
公開日2013-10-23
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.639 Å)
主引用文献Design, Optimization, and Biological Evaluation of Novel Keto-Benzimidazoles as Potent and Selective Inhibitors of Phosphodiesterase 10A (PDE10A).
J.Med.Chem., 56, 2013
3HQU
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BU of 3hqu by Molmil
PHD2:Fe:UN9:partial HIF1-alpha substrate complex
分子名称: Egl nine homolog 1, FE (II) ION, Hypoxia-inducible factor 1 alpha, ...
著者Chowdhury, R, McDonough, M.A, Schofield, C.J.
登録日2009-06-08
公開日2009-07-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for binding of hypoxia-inducible factor to the oxygen-sensing prolyl hydroxylases
Structure, 17, 2009

 

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