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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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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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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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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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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1ZKN
 | | Structure of PDE4D2-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: | 2005-05-03 | | Release date: | 2005-05-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 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
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2CHT
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2CHS
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2CYH
 | | CYCLOPHILIN A COMPLEXED WITH DIPEPTIDE ALA-PRO | | Descriptor: | ALANINE, CYCLOPHILIN A, PROLINE | | Authors: | Zhao, Y, Ke, H. | | Deposit date: | 1996-02-27 | | Release date: | 1996-07-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Mechanistic implication of crystal structures of the cyclophilin-dipeptide complexes.
Biochemistry, 35, 1996
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1FPB
 | | CRYSTAL STRUCTURE OF THE NEUTRAL FORM OF FRUCTOSE 1,6-BISPHOSPHATASE COMPLEXED WITH REGULATORY INHIBITOR FRUCTOSE 2,6-BISPHOSPHATE AT 2.6-ANGSTROMS RESOLUTION | | Descriptor: | 2,6-di-O-phosphono-beta-D-fructofuranose, FRUCTOSE 1,6-BISPHOSPHATASE | | Authors: | Liang, J.Y, Huang, S, Zhang, Y, Ke, H, Lipscomb, W.N. | | Deposit date: | 1992-02-03 | | Release date: | 1993-10-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of the neutral form of fructose 1,6-bisphosphatase complexed with regulatory inhibitor fructose 2,6-bisphosphate at 2.6-A resolution.
Proc.Natl.Acad.Sci.USA, 89, 1992
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1M63
 | | Crystal structure of calcineurin-cyclophilin-cyclosporin shows common but distinct recognition of immunophilin-drug complexes | | Descriptor: | CALCINEURIN B SUBUNIT ISOFORM 1, CALCIUM ION, CYCLOSPORIN A, ... | | Authors: | Huai, Q, Kim, H.-Y, Liu, Y, Zhao, Y, Mondragon, A, Liu, J.O, Ke, H. | | Deposit date: | 2002-07-12 | | Release date: | 2002-09-25 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure of Calcineurin-Cyclophilin-Cyclosporin Shows Common But Distinct Recognition of Immunophilin-Drug Complexes
Proc.Natl.Acad.Sci.USA, 99, 2002
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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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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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1PTW
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3B83
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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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4OJV
 | | Crystal structure of unliganded yeast PDE1 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3',5'-cyclic-nucleotide phosphodiesterase 1, SULFATE ION, ... | | 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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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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4CYH
 | | CYCLOPHILIN A COMPLEXED WITH DIPEPTIDE HIS-PRO | | Descriptor: | CYCLOPHILIN A, HISTIDINE, PROLINE | | Authors: | Zhao, Y, Ke, H. | | Deposit date: | 1996-02-27 | | Release date: | 1996-07-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Mechanistic implication of crystal structures of the cyclophilin-dipeptide complexes.
Biochemistry, 35, 1996
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3CYH
 | | CYCLOPHILIN A COMPLEXED WITH DIPEPTIDE SER-PRO | | Descriptor: | CYCLOPHILIN A, PROLINE, SERINE | | Authors: | Zhao, Y, Ke, H. | | Deposit date: | 1996-02-27 | | Release date: | 1996-07-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mechanistic implication of crystal structures of the cyclophilin-dipeptide complexes.
Biochemistry, 35, 1996
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4EKZ
 | | Crystal structure of reduced hPDI (abb'xa') | | Descriptor: | Protein disulfide-isomerase | | Authors: | Wang, C, Li, W, Ren, J, Ke, H, Gong, W, Feng, W, Wang, C.-C. | | Deposit date: | 2012-04-10 | | Release date: | 2013-04-10 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Structural insights into the redox-regulated dynamic conformations of human protein disulfide isomerase
Antioxid Redox Signal, 19, 2013
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4EL1
 | | Crystal structure of oxidized hPDI (abb'xa') | | Descriptor: | Protein disulfide-isomerase | | Authors: | Wang, C, Li, W, Ren, J, Ke, H, Gong, W, Feng, W, Wang, C.-C. | | Deposit date: | 2012-04-10 | | Release date: | 2013-04-10 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.883 Å) | | Cite: | Structural insights into the redox-regulated dynamic conformations of human protein disulfide isomerase
Antioxid Redox Signal, 19, 2013
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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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1FGL
 | | Cyclophilin A complexed with a fragment of HIV-1 GAG protein | | Descriptor: | CYCLOPHILIN A, HIV-1 GAG PROTEIN | | Authors: | Zhao, Y, Chen, Y, Schutkowski, M, Fischer, G, Ke, H. | | Deposit date: | 1996-11-18 | | Release date: | 1997-04-01 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Cyclophilin A complexed with a fragment of HIV-1 gag protein: insights into HIV-1 infectious activity.
Structure, 5, 1997
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