3QI4
 
 | | Crystal structure of PDE9A(Q453E) in complex with IBMX | | Descriptor: | 3-ISOBUTYL-1-METHYLXANTHINE, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | Authors: | Hou, J, Xu, J, Liu, M, Zhao, R, Lou, H, Ke, H. | | Deposit date: | 2011-01-26 | | Release date: | 2011-04-27 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural asymmetry of phosphodiesterase-9, potential protonation of a glutamic Acid, and role of the invariant glutamine.
Plos One, 6, 2011
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3QI3
 | | Crystal structure of PDE9A(Q453E) in complex with inhibitor BAY73-6691 | | Descriptor: | 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, ... | | Authors: | Hou, J, Xu, J, Liu, M, Zhao, R, Lou, H, Ke, H. | | Deposit date: | 2011-01-26 | | Release date: | 2011-04-27 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural asymmetry of phosphodiesterase-9, potential protonation of a glutamic Acid, and role of the invariant glutamine.
Plos One, 6, 2011
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1Q9M
 | | Three dimensional structures of PDE4D in complex with roliprams and implication on inhibitor selectivity | | Descriptor: | ROLIPRAM, ZINC ION, cAMP-specific phosphodiesterase PDE4D2 | | Authors: | Huai, Q, Wang, H, Sun, Y, Kim, H.Y, Liu, Y, Ke, H. | | Deposit date: | 2003-08-25 | | Release date: | 2003-09-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Three dimensional structures of PDE4D in complex with roliprams and implication on inhibitor selectivity
Structure, 11, 2003
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5K02
 | | Structure of human SOD1 with T2D mutation | | Descriptor: | COPPER (II) ION, Superoxide dismutase [Cu-Zn], ZINC ION | | Authors: | Fay, J.M, Zhu, C, Cui, W, Ke, H, Dokholyan, N.V. | | Deposit date: | 2016-05-17 | | Release date: | 2016-11-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | A Phosphomimetic Mutation Stabilizes SOD1 and Rescues Cell Viability in the Context of an ALS-Associated Mutation.
Structure, 24, 2016
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5ED9
 | | Crystal structure of CC1 of mouse SUN2 | | Descriptor: | SUN domain-containing protein 2 | | Authors: | Nie, S, Ke, H.M, Gao, F, Ren, J.Q, Wang, M.Z, Huo, L, Gong, W.M, Feng, W. | | Deposit date: | 2015-10-21 | | Release date: | 2016-01-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.009 Å) | | Cite: | Coiled-Coil Domains of SUN Proteins as Intrinsic Dynamic Regulators
Structure, 24, 2016
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1OYN
 | | Crystal structure of PDE4D2 in complex with (R,S)-rolipram | | Descriptor: | ROLIPRAM, ZINC ION, cAMP-specific phosphodiesterase PDE4D2 | | Authors: | Huai, Q, Wang, H, Sun, Y, Kim, H.Y, Liu, Y, Ke, H. | | Deposit date: | 2003-04-05 | | Release date: | 2003-07-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Three-dimensional structures of PDE4D in complex with roliprams and implication on inhibitor selectivity
Structure, 11, 2003
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1Q2U
 | | Crystal structure of DJ-1/RS and implication on familial Parkinson's disease | | Descriptor: | RNA-binding protein regulatory subunit | | Authors: | Huai, Q, Sun, Y, Wang, H, Chin, L.S, Li, L, Robinson, H, Ke, H. | | Deposit date: | 2003-07-26 | | Release date: | 2003-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of DJ-1/RS and implication on familial Parkinson's disease
Febs Lett., 549, 2003
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4GH6
 | | Crystal structure of the PDE9A catalytic domain in complex with inhibitor 28 | | Descriptor: | 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, ... | | Authors: | Hou, J, Ke, H. | | Deposit date: | 2012-08-07 | | Release date: | 2012-10-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-Based Discovery of Highly Selective Phosphodiesterase-9A Inhibitors and Implications for Inhibitor Design.
J.Med.Chem., 55, 2012
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1F0J
 | | CATALYTIC DOMAIN OF HUMAN PHOSPHODIESTERASE 4B2B | | Descriptor: | ARSENIC, MAGNESIUM ION, PHOSPHODIESTERASE 4B, ... | | Authors: | 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. | | Deposit date: | 2000-05-16 | | Release date: | 2000-07-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Atomic structure of PDE4: insights into phosphodiesterase mechanism and specificity.
Science, 288, 2000
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4I15
 | | Crystal structure of TbrPDEB1 | | Descriptor: | Class 1 phosphodiesterase PDEB1, MAGNESIUM ION, ZINC ION | | Authors: | Wang, H, Ke, H. | | Deposit date: | 2012-11-20 | | Release date: | 2013-03-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Discovery of Novel Trypanosoma brucei Phosphodiesterase B1 Inhibitors by Virtual Screening against the Unliganded TbrPDEB1 Crystal Structure.
J.Med.Chem., 56, 2013
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3K3E
 | | Crystal structure of the PDE9A catalytic domain in complex with (R)-BAY73-6691 | | Descriptor: | 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, ... | | Authors: | Wang, H, Luo, X, Ye, M, Hou, J, Robinson, H, Ke, H. | | Deposit date: | 2009-10-02 | | Release date: | 2010-02-16 | | Last modified: | 2013-11-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Insight into Binding of Phosphodiesterase-9A Selective Inhibitors by Crystal Structures and Mutagenesis
J.Med.Chem., 53, 2010
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3B83
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3K3H
 | | Crystal structure of the PDE9A catalytic domain in complex with (S)-BAY73-6691 | | Descriptor: | 1-(2-chlorophenyl)-6-[(2S)-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, ... | | Authors: | Wang, H, Luo, X, Ye, M, Hou, J, Robinson, H, Ke, H. | | Deposit date: | 2009-10-02 | | Release date: | 2010-02-16 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Insight into Binding of Phosphodiesterase-9A Selective Inhibitors by Crystal Structures and Mutagenesis
J.Med.Chem., 53, 2010
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3BJC
 | | Crystal structure of the PDE5A catalytic domain in complex with a novel inhibitor | | Descriptor: | 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, ... | | Authors: | Chen, G, Wang, H, Howard, R, Cai, J, Wan, Y, Ke, H. | | Deposit date: | 2007-12-03 | | Release date: | 2008-04-29 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | An insight into the pharmacophores of phosphodiesterase-5 inhibitors from synthetic and crystal structural studies
BIOCHEM.PHARM., 75, 2008
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3LFV
 | | crystal structure of unliganded PDE5A GAF domain | | Descriptor: | cGMP-specific 3',5'-cyclic phosphodiesterase | | Authors: | Wang, H, Robinson, H, Ke, H. | | Deposit date: | 2010-01-18 | | Release date: | 2010-09-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Conformation changes, N-terminal involvement, and cGMP signal relay in the phosphodiesterase-5 GAF domain.
J.Biol.Chem., 285, 2010
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1RKP
 | | Crystal structure of PDE5A1-IBMX | | Descriptor: | 3-ISOBUTYL-1-METHYLXANTHINE, MAGNESIUM ION, ZINC ION, ... | | Authors: | Huai, Q, Liu, Y, Francis, S.H, Corbin, J.D, Ke, H. | | Deposit date: | 2003-11-22 | | Release date: | 2004-03-30 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structures of phosphodiesterases 4 and 5 in complex with inhibitor IBMX suggest a conformation determinant of inhibitor selectivity
J.Biol.Chem., 279, 2004
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2PW3
 | | Structure of the PDE4D-cAMP complex | | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, ZINC ION, cAMP-specific 3',5'-cyclic phosphodiesterase 4D | | Authors: | Wang, H, Robinson, H, Ke, H. | | Deposit date: | 2007-05-10 | | Release date: | 2007-10-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | The molecular basis for different recognition of substrates by phosphodiesterase families 4 and 10.
J.Mol.Biol., 371, 2007
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3LNX
 | | Second PDZ domain from human PTP1E | | Descriptor: | IODIDE ION, THIOCYANATE ION, Tyrosine-protein phosphatase non-receptor type 13 | | Authors: | Zhang, J, Chang, A, Ke, H, Phillips Jr, G.N, Lee, A.L, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2010-02-03 | | Release date: | 2010-02-23 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.642 Å) | | Cite: | 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
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1PTW
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3LNY
 | | Second PDZ domain from human PTP1E in complex with RA-GEF2 peptide | | Descriptor: | Rap guanine nucleotide exchange factor 6, SULFATE ION, THIOCYANATE ION, ... | | Authors: | Zhang, J, Chang, A, Ke, H, Phillips Jr, G.N, Lee, A.L, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2010-02-03 | | Release date: | 2010-03-23 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | 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
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2R8Q
 | | Structure of LmjPDEB1 in complex with IBMX | | Descriptor: | 3-ISOBUTYL-1-METHYLXANTHINE, Class I phosphodiesterase PDEB1, MAGNESIUM ION, ... | | Authors: | Wang, H, Yan, Z, Geng, J, Kunz, S, Seebeck, T, Ke, H. | | Deposit date: | 2007-09-11 | | Release date: | 2007-12-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of the Leishmania major phosphodiesterase LmjPDEB1 and insight into the design of the parasite-selective inhibitors.
Mol.Microbiol., 66, 2007
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1IAW
 | | CRYSTAL STRUCTURE OF NAEI COMPLEXED WITH 17MER DNA | | Descriptor: | 5'-D(*TP*GP*CP*CP*AP*CP*GP*CP*CP*GP*GP*CP*GP*TP*GP*GP*C)-3', TYPE II RESTRICTION ENZYME NAEI | | Authors: | Huai, Q, Colandene, J.D, Topal, M.D, Ke, H. | | Deposit date: | 2001-03-23 | | Release date: | 2001-08-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of NaeI-DNA complex reveals dual-mode DNA recognition and complete dimer rearrangement.
Nat.Struct.Biol., 8, 2001
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1IAX
 | | CRYSTAL STRUCTURE OF ACC SYNTHASE COMPLEXED WITH PLP | | Descriptor: | 1-AMINOCYCLOPROPANE-1-CARBOXYLATE SYNTHASE 2, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | | Authors: | Huai, Q, Xia, Y, Chen, Y, Callahan, B, Li, N, Ke, H. | | Deposit date: | 2001-03-24 | | Release date: | 2001-04-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structures of 1-aminocyclopropane-1-carboxylate (ACC) synthase in complex with aminoethoxyvinylglycine and pyridoxal-5'-phosphate provide new insight into catalytic mechanisms
J.Biol.Chem., 276, 2001
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4OJX
 | | crystal structure of yeast phosphodiesterase-1 in complex with GMP | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3',5'-cyclic-nucleotide phosphodiesterase 1, GUANOSINE-5'-MONOPHOSPHATE, ... | | Authors: | Tian, Y, Cui, W, Huang, M, Robinson, H, Wan, Y, Wang, Y, Ke, H. | | Deposit date: | 2014-01-21 | | Release date: | 2014-12-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | 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
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2RBL
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