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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1EV7
 | | CRYSTAL STRUCTURE OF DNA RESTRICTION ENDONUCLEASE NAEI | | Descriptor: | TYPE IIE RESTRICTION ENDONUCLEASE NAEI | | Authors: | Huai, Q, Colandene, J.D, Chen, Y, Luo, F, Zhao, Y. | | Deposit date: | 2000-04-19 | | Release date: | 2000-10-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Crystal structure of NaeI-an evolutionary bridge between DNA endonuclease and topoisomerase.
EMBO J., 19, 2000
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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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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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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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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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1Y4S
 | | Conformation rearrangement of heat shock protein 90 upon ADP binding | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Chaperone protein htpG, MAGNESIUM ION | | Authors: | Huai, Q, Wang, H, Liu, Y, Kim, H, Toft, D, Ke, H. | | Deposit date: | 2004-12-01 | | Release date: | 2005-04-19 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structures of the N-terminal and middle domains of E. coli Hsp90 and conformation changes upon ADP binding.
Structure, 13, 2005
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1Y4U
 | | Conformation rearrangement of heat shock protein 90 upon ADP binding | | Descriptor: | Chaperone protein htpG | | Authors: | Huai, Q, Wang, H, Liu, Y, Kim, H, Toft, D, Ke, H. | | Deposit date: | 2004-12-01 | | Release date: | 2005-04-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structures of the N-terminal and middle domains of E. coli Hsp90 and conformation changes upon ADP binding.
Structure, 13, 2005
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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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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
 | | 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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1PTW
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2FM5
 | | Crystal structure of PDE4D2 in complex with inhibitor L-869299 | | Descriptor: | (R)-3-(2-(3-CYCLOPROPOXY-4-(DIFLUOROMETHOXY)PHENYL)-2-(5-(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL)THIAZOL-2-YL)ETHYL)PYRIDINE 1-OXIDE, MAGNESIUM ION, ZINC ION, ... | | Authors: | Huai, Q, Sun, Y, Wang, H, Macdonald, D, Aspiotis, R, Robinson, H, Huang, Z, Ke, H. | | Deposit date: | 2006-01-07 | | Release date: | 2006-03-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Enantiomer Discrimination Illustrated by the High Resolution Crystal Structures of Type 4 Phosphodiesterase
J.Med.Chem., 49, 2006
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2FM0
 | | Crystal structure of PDE4D in complex with L-869298 | | Descriptor: | (S)-3-(2-(3-CYCLOPROPOXY-4-(DIFLUOROMETHOXY)PHENYL)-2-(5-(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL)THIAZOL-2-YL)ETHY L)PYRIDINE 1-OXIDE, MAGNESIUM ION, ZINC ION, ... | | Authors: | Huai, Q, Sun, Y, Wang, H, Macdonald, D, Aspiotis, R, Robinson, H, Huang, Z, Ke, H. | | Deposit date: | 2006-01-06 | | Release date: | 2006-03-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Enantiomer Discrimination Illustrated by the High Resolution Crystal Structures of Type 4 Phosphodiesterase
J.Med.Chem., 49, 2006
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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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2HD1
 | | Crystal structure of PDE9 in complex with IBMX | | Descriptor: | 3-ISOBUTYL-1-METHYLXANTHINE, MAGNESIUM ION, Phosphodiesterase 9A, ... | | Authors: | Huai, Q, Wang, H, Zhang, W, Colman, R.W, Robinson, H, Ke, H. | | Deposit date: | 2006-06-19 | | Release date: | 2006-06-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Crystal structure of phosphodiesterase 9 shows orientation variation of inhibitor IBMX binding
Proc.Natl.Acad.Sci.USA, 101, 2004
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2FD6
 | | Structure of Human Urokinase Plasminogen Activator in Complex with Urokinase Receptor and an anti-upar antibody at 1.9 A | | Descriptor: | 1,2-ETHANEDIOL, 2-ETHOXYETHANOL, 2-acetamido-2-deoxy-alpha-D-glucopyranose, ... | | Authors: | Huang, M, Huai, Q, Li, Y. | | Deposit date: | 2005-12-13 | | Release date: | 2006-02-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of human urokinase plasminogen activator in complex with its receptor
Science, 311, 2006
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2H40
 | | Crystal structure of the catalytic domain of unliganded PDE5 | | Descriptor: | MAGNESIUM ION, ZINC ION, cGMP-specific 3',5'-cyclic phosphodiesterase | | Authors: | Wang, H, Liu, Y, Huai, Q, Cai, J, Zoraghi, R, Francis, S.H, Corbin, J.D, Robinson, H, Xin, Z, Lin, G, Ke, H. | | Deposit date: | 2006-05-23 | | Release date: | 2006-06-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Multiple Conformations of Phosphodiesterase-5: Implications for enzyme function and drug development
J.Biol.Chem., 281, 2006
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2OAE
 | | Crystal structure of rat dipeptidyl peptidase (DPPIV) with thiazole-based peptide mimetic #31 | | Descriptor: | Dipeptidyl peptidase 4, N-{[(3S,5S)-5-(1,3-THIAZOLIDIN-3-YLCARBONYL)PYRROLIDIN-3-YL]METHYL}-1,3-THIAZOLE-4-CARBOXAMIDE, SULFATE ION | | Authors: | Longenecker, K.L, Shuai, Q, Patel, J, Wiedeman, P. | | Deposit date: | 2006-12-15 | | Release date: | 2007-02-27 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Pyrrolidine-constrained phenethylamines: The design of potent, selective, and pharmacologically efficacious dipeptidyl peptidase IV (DPP4) inhibitors from a lead-like screening hit.
Bioorg.Med.Chem.Lett., 17, 2007
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