3BJC
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![BU of 3bjc by Molmil](/molmil-images/mine/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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3ECM
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![BU of 3ecm by Molmil](/molmil-images/mine/3ecm) | Crystal structure of the unliganded PDE8A catalytic domain | Descriptor: | High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ZINC ION | Authors: | Wang, H, Yan, Z, Yang, S, Cai, J, Robinson, H, Ke, H. | Deposit date: | 2008-09-01 | Release date: | 2008-11-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Kinetic and structural studies of phosphodiesterase-8A and implication on the inhibitor selectivity Biochemistry, 47, 2008
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3B83
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![BU of 3b83 by Molmil](/molmil-images/mine/3b83) | |
1M63
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![BU of 1m63 by Molmil](/molmil-images/mine/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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1FBC
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![BU of 1fbc by Molmil](/molmil-images/mine/1fbc) | CRYSTALLOGRAPHIC STUDIES OF THE CATALYTIC MECHANISM OF THE NEUTRAL FORM OF FRUCTOSE-1,6-BISPHOSPHATASE | Descriptor: | 2,5-anhydro-1,6-di-O-phosphono-D-glucitol, FRUCTOSE 1,6-BISPHOSPHATASE, MAGNESIUM ION | Authors: | Zhang, Y, Liang, J.-Y, Huang, S, Ke, H, Lipscomb, W.N. | Deposit date: | 1992-10-14 | Release date: | 1993-10-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystallographic studies of the catalytic mechanism of the neutral form of fructose-1,6-bisphosphatase. Biochemistry, 32, 1993
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1FBF
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![BU of 1fbf by Molmil](/molmil-images/mine/1fbf) | CRYSTALLOGRAPHIC STUDIES OF THE CATALYTIC MECHANISM OF THE NEUTRAL FORM OF FRUCTOSE-1,6-BISPHOSPHATASE | Descriptor: | 2,5-anhydro-1,6-di-O-phosphono-D-mannitol, FRUCTOSE 1,6-BISPHOSPHATASE, MAGNESIUM ION | Authors: | Zhang, Y, Liang, J.-Y, Huang, S, Ke, H, Lipscomb, W.N. | Deposit date: | 1992-10-16 | Release date: | 1993-10-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystallographic studies of the catalytic mechanism of the neutral form of fructose-1,6-bisphosphatase. Biochemistry, 32, 1993
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1FBD
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![BU of 1fbd by Molmil](/molmil-images/mine/1fbd) | CRYSTALLOGRAPHIC STUDIES OF THE CATALYTIC MECHANISM OF THE NEUTRAL FORM OF FRUCTOSE-1,6-BISPHOSPHATASE | Descriptor: | 2,5-anhydro-1,6-di-O-phosphono-D-glucitol, FRUCTOSE 1,6-BISPHOSPHATASE, MANGANESE (II) ION | Authors: | Zhang, Y, Liang, J.-Y, Huang, S, Ke, H, Lipscomb, W.N. | Deposit date: | 1992-10-16 | Release date: | 1993-10-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystallographic studies of the catalytic mechanism of the neutral form of fructose-1,6-bisphosphatase. Biochemistry, 32, 1993
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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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1FBE
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![BU of 1fbe by Molmil](/molmil-images/mine/1fbe) | CRYSTALLOGRAPHIC STUDIES OF THE CATALYTIC MECHANISM OF THE NEUTRAL FORM OF FRUCTOSE-1,6-BISPHOSPHATASE | Descriptor: | 2,5-anhydro-1,6-di-O-phosphono-D-glucitol, FRUCTOSE 1,6-BISPHOSPHATASE, ZINC ION | Authors: | Zhang, Y, Liang, J.-Y, Huang, S, Ke, H, Lipscomb, W.N. | Deposit date: | 1992-10-16 | Release date: | 1993-10-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystallographic studies of the catalytic mechanism of the neutral form of fructose-1,6-bisphosphatase. Biochemistry, 32, 1993
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1FBH
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![BU of 1fbh by Molmil](/molmil-images/mine/1fbh) | CRYSTALLOGRAPHIC STUDIES OF THE CATALYTIC MECHANISM OF THE NEUTRAL FORM OF FRUCTOSE-1,6-BISPHOSPHATASE | Descriptor: | 1,6-di-O-phosphono-alpha-D-fructofuranose, 1,6-di-O-phosphono-beta-D-fructofuranose, FRUCTOSE 1,6-BISPHOSPHATASE | Authors: | Zhang, Y, Liang, J.-Y, Huang, S, Ke, H, Lipscomb, W.N. | Deposit date: | 1992-10-16 | Release date: | 1993-10-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystallographic studies of the catalytic mechanism of the neutral form of fructose-1,6-bisphosphatase. Biochemistry, 32, 1993
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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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1Q2U
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![BU of 1q2u by Molmil](/molmil-images/mine/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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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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3V93
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![BU of 3v93 by Molmil](/molmil-images/mine/3v93) | unliganded structure of TcrPDEC1 catalytic domain | Descriptor: | Cyclic nucleotide specific phosphodiesterase, MAGNESIUM ION, ZINC ION | Authors: | Wang, H, Kunz, S, Chen, G, Seebeck, T, Wan, Y, Robinson, H, Martinelli, S, Ke, H. | Deposit date: | 2011-12-23 | Release date: | 2012-02-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Biological and structural characterization of Trypanosoma cruzi phosphodiesterase C and Implications for design of parasite selective inhibitors. J.Biol.Chem., 287, 2012
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3V94
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![BU of 3v94 by Molmil](/molmil-images/mine/3v94) | TcrPDEC1 catalytic domain in complex with inhibitor wyq16 | Descriptor: | Cyclic nucleotide specific phosphodiesterase, MAGNESIUM ION, ZINC ION, ... | Authors: | Wang, H, Kunz, S, Chen, G, Seebeck, T, Wan, Y, Robinson, H, Martinelli, S, Ke, H. | Deposit date: | 2011-12-23 | Release date: | 2012-02-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | TcrPDEC1 catalytic domain in complex with inhibitor wyq16 To be Published
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2H42
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![BU of 2h42 by Molmil](/molmil-images/mine/2h42) | Crystal structure of PDE5 in complex with sildenafil | Descriptor: | 5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-1-METHYL-3-PROPYL-1H,6H,7H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE, 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 (2.3 Å) | Cite: | Multiple Conformations of Phosphodiesterase-5: Implications for enzyme function and drug development J.Biol.Chem., 281, 2006
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1FBG
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![BU of 1fbg by Molmil](/molmil-images/mine/1fbg) | CRYSTALLOGRAPHIC STUDIES OF THE CATALYTIC MECHANISM OF THE NEUTRAL FORM OF FRUCTOSE-1,6-BISPHOSPHATASE | Descriptor: | 2,5-anhydro-1,6-di-O-phosphono-D-mannitol, FRUCTOSE 1,6-BISPHOSPHATASE, MANGANESE (II) ION | Authors: | Zhang, Y, Liang, J.-Y, Huang, S, Ke, H, Lipscomb, W.N. | Deposit date: | 1992-10-16 | Release date: | 1993-10-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystallographic studies of the catalytic mechanism of the neutral form of fructose-1,6-bisphosphatase. Biochemistry, 32, 1993
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2H40
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![BU of 2h40 by Molmil](/molmil-images/mine/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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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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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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2FM0
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![BU of 2fm0 by Molmil](/molmil-images/mine/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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2FM5
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![BU of 2fm5 by Molmil](/molmil-images/mine/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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3LFV
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![BU of 3lfv by Molmil](/molmil-images/mine/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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2HD1
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![BU of 2hd1 by Molmil](/molmil-images/mine/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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3MF0
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![BU of 3mf0 by Molmil](/molmil-images/mine/3mf0) | Crystal structure of PDE5A GAF domain (89-518) | Descriptor: | cGMP-specific 3',5'-cyclic phosphodiesterase | Authors: | Wang, H, Robinson, H, Ke, H. | Deposit date: | 2010-04-01 | Release date: | 2010-09-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.1 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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