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3QI3
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BU of 3qi3 by Molmil
Crystal structure of PDE9A(Q453E) in complex with inhibitor BAY73-6691
分子名称: 1-(2-chlorophenyl)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
著者Hou, J, Xu, J, Liu, M, Zhao, R, Lou, H, Ke, H.
登録日2011-01-26
公開日2011-04-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural asymmetry of phosphodiesterase-9, potential protonation of a glutamic Acid, and role of the invariant glutamine.
Plos One, 6, 2011
1OYN
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BU of 1oyn by Molmil
Crystal structure of PDE4D2 in complex with (R,S)-rolipram
分子名称: ROLIPRAM, ZINC ION, cAMP-specific phosphodiesterase PDE4D2
著者Huai, Q, Wang, H, Sun, Y, Kim, H.Y, Liu, Y, Ke, H.
登録日2003-04-05
公開日2003-07-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Three-dimensional structures of PDE4D in complex with roliprams and implication on inhibitor selectivity
Structure, 11, 2003
3BJC
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BU of 3bjc by Molmil
Crystal structure of the PDE5A catalytic domain in complex with a novel inhibitor
分子名称: 5-ethoxy-4-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)thiophene-2-sulfonamide, MAGNESIUM ION, ZINC ION, ...
著者Chen, G, Wang, H, Howard, R, Cai, J, Wan, Y, Ke, H.
登録日2007-12-03
公開日2008-04-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献An insight into the pharmacophores of phosphodiesterase-5 inhibitors from synthetic and crystal structural studies
BIOCHEM.PHARM., 75, 2008
3LNX
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BU of 3lnx by Molmil
Second PDZ domain from human PTP1E
分子名称: IODIDE ION, THIOCYANATE ION, Tyrosine-protein phosphatase non-receptor type 13
著者Zhang, J, Chang, A, Ke, H, Phillips Jr, G.N, Lee, A.L, Center for Eukaryotic Structural Genomics (CESG)
登録日2010-02-03
公開日2010-02-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.642 Å)
主引用文献Crystallographic and nuclear magnetic resonance evaluation of the impact of peptide binding to the second PDZ domain of protein tyrosine phosphatase 1E.
Biochemistry, 49, 2010
3LNY
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BU of 3lny by Molmil
Second PDZ domain from human PTP1E in complex with RA-GEF2 peptide
分子名称: Rap guanine nucleotide exchange factor 6, SULFATE ION, THIOCYANATE ION, ...
著者Zhang, J, Chang, A, Ke, H, Phillips Jr, G.N, Lee, A.L, Center for Eukaryotic Structural Genomics (CESG)
登録日2010-02-03
公開日2010-03-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystallographic and nuclear magnetic resonance evaluation of the impact of peptide binding to the second PDZ domain of protein tyrosine phosphatase 1E.
Biochemistry, 49, 2010
4OJX
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BU of 4ojx by Molmil
crystal structure of yeast phosphodiesterase-1 in complex with GMP
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3',5'-cyclic-nucleotide phosphodiesterase 1, GUANOSINE-5'-MONOPHOSPHATE, ...
著者Tian, Y, Cui, W, Huang, M, Robinson, H, Wan, Y, Wang, Y, Ke, H.
登録日2014-01-21
公開日2014-12-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Dual specificity and novel structural folding of yeast phosphodiesterase-1 for hydrolysis of second messengers cyclic adenosine and guanosine 3',5'-monophosphate.
Biochemistry, 53, 2014
2CYH
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BU of 2cyh by Molmil
CYCLOPHILIN A COMPLEXED WITH DIPEPTIDE ALA-PRO
分子名称: ALANINE, CYCLOPHILIN A, PROLINE
著者Zhao, Y, Ke, H.
登録日1996-02-27
公開日1996-07-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Mechanistic implication of crystal structures of the cyclophilin-dipeptide complexes.
Biochemistry, 35, 1996
1ZKN
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BU of 1zkn by Molmil
Structure of PDE4D2-IBMX
分子名称: 3-ISOBUTYL-1-METHYLXANTHINE, MAGNESIUM ION, ZINC ION, ...
著者Huai, Q, Liu, Y, Francis, S.H, Corbin, J.D, Ke, H.
登録日2005-05-03
公開日2005-05-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structures of Phosphodiesterases 4 and 5 in Complex with Inhibitor 3-Isobutyl-1-Methylxanthine Suggest a Conformation Determinant of Inhibitor Selectivity
J.Biol.Chem., 279, 2004
4OJV
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BU of 4ojv by Molmil
Crystal structure of unliganded yeast PDE1
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3',5'-cyclic-nucleotide phosphodiesterase 1, SULFATE ION, ...
著者Tian, Y, Cui, W, Huang, M, Robinson, H, Wan, Y, Wang, Y, Ke, H.
登録日2014-01-21
公開日2014-12-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Dual specificity and novel structural folding of yeast phosphodiesterase-1 for hydrolysis of second messengers cyclic adenosine and guanosine 3',5'-monophosphate.
Biochemistry, 53, 2014
2CHT
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BU of 2cht by Molmil
CRYSTAL STRUCTURES OF THE MONOFUNCTIONAL CHORISMATE MUTASE FROM BACILLUS SUBTILIS AND ITS COMPLEX WITH A TRANSITION STATE ANALOG
分子名称: 8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID, CHORISMATE MUTASE
著者Chook, Y.M, Ke, H, Lipscomb, W.N.
登録日1994-04-08
公開日1994-07-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of the monofunctional chorismate mutase from Bacillus subtilis and its complex with a transition state analog.
Proc.Natl.Acad.Sci.USA, 90, 1993
2CHS
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BU of 2chs by Molmil
CRYSTAL STRUCTURES OF THE MONOFUNCTIONAL CHORISMATE MUTASE FROM BACILLUS SUBTILIS AND ITS COMPLEX WITH A TRANSITION STATE ANALOG
分子名称: CHORISMATE MUTASE
著者Chook, Y.M, Ke, H, Lipscomb, W.N.
登録日1994-04-08
公開日1994-07-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of the monofunctional chorismate mutase from Bacillus subtilis and its complex with a transition state analog.
Proc.Natl.Acad.Sci.USA, 90, 1993
2RBL
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BU of 2rbl by Molmil
High resolution design of a protein loop
分子名称: Tenascin
著者Hu, X, Wang, H, Ke, H, Kuhlman, B.
登録日2007-09-19
公開日2007-11-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献High-resolution design of a protein loop.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2RB8
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BU of 2rb8 by Molmil
High resolution design of a protein loop
分子名称: Tenascin
著者Hu, X, Wang, H, Ke, H, Kuhlman, B.
登録日2007-09-18
公開日2007-11-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献High-resolution design of a protein loop.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2R8Q
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BU of 2r8q by Molmil
Structure of LmjPDEB1 in complex with IBMX
分子名称: 3-ISOBUTYL-1-METHYLXANTHINE, Class I phosphodiesterase PDEB1, MAGNESIUM ION, ...
著者Wang, H, Yan, Z, Geng, J, Kunz, S, Seebeck, T, Ke, H.
登録日2007-09-11
公開日2007-12-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of the Leishmania major phosphodiesterase LmjPDEB1 and insight into the design of the parasite-selective inhibitors.
Mol.Microbiol., 66, 2007
3B83
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BU of 3b83 by Molmil
Computer-Based Redesign of a beta Sandwich Protein Suggests that Extensive Negative Design Is Not Required for De Novo beta Sheet Design.
分子名称: TEN-D3
著者Hu, X, Ke, H, Kuhlman, B.
登録日2007-10-31
公開日2008-11-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Computer-Based Redesign of a beta Sandwich Protein Suggests that Extensive Negative Design Is Not Required for De Novo beta Sheet Design.
Structure, 16, 2008
1M63
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BU of 1m63 by Molmil
Crystal structure of calcineurin-cyclophilin-cyclosporin shows common but distinct recognition of immunophilin-drug complexes
分子名称: CALCINEURIN B SUBUNIT ISOFORM 1, CALCIUM ION, CYCLOSPORIN A, ...
著者Huai, Q, Kim, H.-Y, Liu, Y, Zhao, Y, Mondragon, A, Liu, J.O, Ke, H.
登録日2002-07-12
公開日2002-09-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of Calcineurin-Cyclophilin-Cyclosporin Shows Common But Distinct Recognition of Immunophilin-Drug Complexes
Proc.Natl.Acad.Sci.USA, 99, 2002
5K02
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BU of 5k02 by Molmil
Structure of human SOD1 with T2D mutation
分子名称: COPPER (II) ION, Superoxide dismutase [Cu-Zn], ZINC ION
著者Fay, J.M, Zhu, C, Cui, W, Ke, H, Dokholyan, N.V.
登録日2016-05-17
公開日2016-11-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献A Phosphomimetic Mutation Stabilizes SOD1 and Rescues Cell Viability in the Context of an ALS-Associated Mutation.
Structure, 24, 2016
4GH6
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BU of 4gh6 by Molmil
Crystal structure of the PDE9A catalytic domain in complex with inhibitor 28
分子名称: High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, N-(4-methoxyphenyl)-N~2~-[1-(2-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-L-alaninamide, ...
著者Hou, J, Ke, H.
登録日2012-08-07
公開日2012-10-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-Based Discovery of Highly Selective Phosphodiesterase-9A Inhibitors and Implications for Inhibitor Design.
J.Med.Chem., 55, 2012
1RMH
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BU of 1rmh by Molmil
RECOMBINANT CYCLOPHILIN A FROM HUMAN T CELL
分子名称: AAPF PEPTIDE SUBSTRATE, CYCLOPHILIN A
著者Zhao, Y, Ke, H.
登録日1995-07-31
公開日1996-10-14
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure implies that cyclophilin predominantly catalyzes the trans to cis isomerization.
Biochemistry, 35, 1996
1PTW
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BU of 1ptw by Molmil
The Crystal Structure of AMP-Bound PDE4 Suggests a Mechanism for Phosphodiesterase Catalysis
分子名称: ADENOSINE MONOPHOSPHATE, ZINC ION, cAMP-specific phosphodiesterase PDE4D2
著者Huai, Q, Colicelli, J, Ke, H.
登録日2003-06-23
公開日2003-11-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The crystal structure of AMP-bound PDE4 suggests a mechanism for phosphodiesterase catalysis
Biochemistry, 42, 2003
1RKP
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BU of 1rkp by Molmil
Crystal structure of PDE5A1-IBMX
分子名称: 3-ISOBUTYL-1-METHYLXANTHINE, MAGNESIUM ION, ZINC ION, ...
著者Huai, Q, Liu, Y, Francis, S.H, Corbin, J.D, Ke, H.
登録日2003-11-22
公開日2004-03-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structures of phosphodiesterases 4 and 5 in complex with inhibitor IBMX suggest a conformation determinant of inhibitor selectivity
J.Biol.Chem., 279, 2004
1F0J
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BU of 1f0j by Molmil
CATALYTIC DOMAIN OF HUMAN PHOSPHODIESTERASE 4B2B
分子名称: ARSENIC, MAGNESIUM ION, PHOSPHODIESTERASE 4B, ...
著者Xu, R.X, Hassell, A.M, Vanderwall, D, Lambert, M.H, Holmes, W.D, Luther, M.A, Rocque, W.J, Milburn, M.V, Zhao, Y, Ke, H, Nolte, R.T.
登録日2000-05-16
公開日2000-07-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Atomic structure of PDE4: insights into phosphodiesterase mechanism and specificity.
Science, 288, 2000
4CYH
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BU of 4cyh by Molmil
CYCLOPHILIN A COMPLEXED WITH DIPEPTIDE HIS-PRO
分子名称: CYCLOPHILIN A, HISTIDINE, PROLINE
著者Zhao, Y, Ke, H.
登録日1996-02-27
公開日1996-07-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mechanistic implication of crystal structures of the cyclophilin-dipeptide complexes.
Biochemistry, 35, 1996
4EL1
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BU of 4el1 by Molmil
Crystal structure of oxidized hPDI (abb'xa')
分子名称: Protein disulfide-isomerase
著者Wang, C, Li, W, Ren, J, Ke, H, Gong, W, Feng, W, Wang, C.-C.
登録日2012-04-10
公開日2013-04-10
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.883 Å)
主引用文献Structural insights into the redox-regulated dynamic conformations of human protein disulfide isomerase
Antioxid Redox Signal, 19, 2013
4EKZ
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BU of 4ekz by Molmil
Crystal structure of reduced hPDI (abb'xa')
分子名称: Protein disulfide-isomerase
著者Wang, C, Li, W, Ren, J, Ke, H, Gong, W, Feng, W, Wang, C.-C.
登録日2012-04-10
公開日2013-04-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Structural insights into the redox-regulated dynamic conformations of human protein disulfide isomerase
Antioxid Redox Signal, 19, 2013

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