2H44
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![BU of 2h44 by Molmil](/molmil-images/mine/2h44) | Crystal structure of PDE5A1 in complex with icarisid II | Descriptor: | 5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN-3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE, MAGNESIUM ION, ZINC ION, ... | Authors: | Wang, H, Ke, H. | Deposit date: | 2006-05-23 | Release date: | 2006-06-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Multiple Conformations of Phosphodiesterase-5: Implications for enzyme function and drug development J.Biol.Chem., 281, 2006
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4GH6
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![BU of 4gh6 by Molmil](/molmil-images/mine/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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1OYN
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![BU of 1oyn by Molmil](/molmil-images/mine/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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1Q9M
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![BU of 1q9m by Molmil](/molmil-images/mine/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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2PW3
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![BU of 2pw3 by Molmil](/molmil-images/mine/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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3B83
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![BU of 3b83 by Molmil](/molmil-images/mine/3b83) | |
5K02
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![BU of 5k02 by Molmil](/molmil-images/mine/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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1COM
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![BU of 1com by Molmil](/molmil-images/mine/1com) | THE MONOFUNCTIONAL CHORISMATE MUTASE FROM BACILLUS SUBTILIS: STRUCTURE DETERMINATION OF CHORISMATE MUTASE AND ITS COMPLEXES WITH A TRANSITION STATE ANALOG AND PREPHENATE, AND IMPLICATIONS ON THE MECHANISM OF ENZYMATIC REACTION | Descriptor: | CHORISMATE MUTASE, PREPHENIC ACID | Authors: | Chook, Y.M, Ke, H, Lipscomb, W.N. | Deposit date: | 1994-04-08 | Release date: | 1994-06-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The monofunctional chorismate mutase from Bacillus subtilis. Structure determination of chorismate mutase and its complexes with a transition state analog and prephenate, and implications for the mechanism of the enzymatic reaction. J.Mol.Biol., 240, 1994
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3LNX
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![BU of 3lnx by Molmil](/molmil-images/mine/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
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![BU of 3lny by Molmil](/molmil-images/mine/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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1KKG
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![BU of 1kkg by Molmil](/molmil-images/mine/1kkg) | NMR Structure of Ribosome-Binding Factor A (RbfA) | Descriptor: | ribosome-binding factor A | Authors: | Huang, Y.J, Swapna, G.V.T, Rajan, P.K, Ke, H, Xia, B, Shukla, K, Inouye, M, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2001-12-07 | Release date: | 2003-03-18 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution NMR Structure of Ribosome-binding Factor A (RbfA), A Cold-shock
Adaptation Protein from Escherichia coli J.Mol.Biol., 327, 2003
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1ZKN
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![BU of 1zkn by Molmil](/molmil-images/mine/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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4OJV
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![BU of 4ojv by Molmil](/molmil-images/mine/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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2CHT
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![BU of 2cht by Molmil](/molmil-images/mine/2cht) | |
4OJX
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![BU of 4ojx by Molmil](/molmil-images/mine/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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2CHS
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![BU of 2chs by Molmil](/molmil-images/mine/2chs) | |
2CYH
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![BU of 2cyh by Molmil](/molmil-images/mine/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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3CYH
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![BU of 3cyh by Molmil](/molmil-images/mine/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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3QI4
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![BU of 3qi4 by Molmil](/molmil-images/mine/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
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![BU of 3qi3 by Molmil](/molmil-images/mine/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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1PTW
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![BU of 1ptw by Molmil](/molmil-images/mine/1ptw) | |
1RMH
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![BU of 1rmh by Molmil](/molmil-images/mine/1rmh) | RECOMBINANT CYCLOPHILIN A FROM HUMAN T CELL | Descriptor: | AAPF PEPTIDE SUBSTRATE, CYCLOPHILIN A | Authors: | Zhao, Y, Ke, H. | Deposit date: | 1995-07-31 | Release date: | 1996-10-14 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure implies that cyclophilin predominantly catalyzes the trans to cis isomerization. Biochemistry, 35, 1996
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4QGE
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![BU of 4qge by Molmil](/molmil-images/mine/4qge) | phosphodiesterase-9A in complex with inhibitor WYQ-C36D | Descriptor: | MAGNESIUM ION, N~2~-(1-cyclopentyl-4-oxo-4,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-(4-methoxyphenyl)-D-alaninamide, Phosphodiesterase 9A, ... | Authors: | Shao, Y.-X, Huang, M, Cui, W, Ke, H. | Deposit date: | 2014-05-22 | Release date: | 2014-12-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of a Phosphodiesterase 9A Inhibitor as a Potential Hypoglycemic Agent. J.Med.Chem., 57, 2014
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1IAY
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![BU of 1iay by Molmil](/molmil-images/mine/1iay) | CRYSTAL STRUCTURE OF ACC SYNTHASE COMPLEXED WITH COFACTOR PLP AND INHIBITOR AVG | Descriptor: | 1-AMINOCYCLOPROPANE-1-CARBOXYLATE SYNTHASE 2, 2-AMINO-4-(2-AMINO-ETHOXY)-BUTYRIC ACID, PYRIDOXAL-5'-PHOSPHATE | 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 (2.7 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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1IAW
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![BU of 1iaw by Molmil](/molmil-images/mine/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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