Characterization of the structures of phosphodiesterase 10 binding with adenosine 3',5'-monophosphate and guanosine 3',5'-monophosphate by hybrid quantum mechanical/molecular mechanical calculations

scientific article published on May 2010

Characterization of the structures of phosphodiesterase 10 binding with adenosine 3',5'-monophosphate and guanosine 3',5'-monophosphate by hybrid quantum mechanical/molecular mechanical calculations is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.1021/JP911527Y
P932PMC publication ID2878663
P698PubMed publication ID20443609
P5875ResearchGate publication ID44574257

P2093author name stringChang-Guo Zhan
Alan C Goren
Haiting Lu
P2860cites workDevelopment of the Colle-Salvetti correlation-energy formula into a functional of the electron densityQ21708802
Cloning and characterization of a novel human phosphodiesterase that hydrolyzes both cAMP and cGMP (PDE10A)Q22010013
Most efficient cocaine hydrolase designed by virtual screening of transition statesQ24649976
Structural insight into substrate specificity of phosphodiesterase 10Q27644254
Structure validation by Calpha geometry: phi,psi and Cbeta deviationQ27860657
A glutamine switch mechanism for nucleotide selectivity by phosphodiesterasesQ28272683
Isolation and characterization of a dual-substrate phosphodiesterase gene family: PDE10AQ28593446
Asparagine and glutamine: using hydrogen atom contacts in the choice of side-chain amide orientationQ29616387
Reduced surface: an efficient way to compute molecular surfacesQ29617526
Self-consistent assignment of asparagine and glutamine amide rotamers in protein crystal structures.Q30354895
NQ-Flipper: recognition and correction of erroneous asparagine and glutamine side-chain rotamers in protein structuresQ30361425
Positioning hydrogen atoms by optimizing hydrogen-bond networks in protein structuresQ30426168
Multiple elements jointly determine inhibitor selectivity of cyclic nucleotide phosphodiesterases 4 and 7.Q33341310
The molecular biology of cyclic nucleotide phosphodiesterases.Q33743815
Isolation and characterization of PDE10A, a novel human 3', 5'-cyclic nucleotide phosphodiesteraseQ33866916
Cyclic nucleotide phosphodiesterases: relating structure and functionQ34047795
Asparagine and glutamine side-chain conformation in solution and crystal: a comparison for hen egg-white lysozyme using residual dipolar couplingsQ34401020
Cyclic nucleotide phosphodiesterases and their role in endocrine cell signaling.Q34467066
Inhibition of the striatum-enriched phosphodiesterase PDE10A: a novel approach to the treatment of psychosis.Q34539215
PDE4 cAMP phosphodiesterases: modular enzymes that orchestrate signalling cross-talk, desensitization and compartmentalizationQ35005680
Cyclic nucleotide phosphodiesterase 5 and sildenafil: promises realizedQ35133281
Hormonal regulation of cyclic nucleotide phosphodiesterasesQ36436861
Fundamental reaction mechanism and free energy profile for (-)-cocaine hydrolysis catalyzed by cocaine esteraseQ37335093
Phosphodiesterase-5 Gln817 is critical for cGMP, vardenafil, or sildenafil affinity: its orientation impacts cGMP but not cAMP affinityQ38511520
Modeling the catalysis of anti-cocaine catalytic antibody: competing reaction pathways and free energy barriersQ40113750
PKA-dependent activation of PDE3A and PDE4 and inhibition of adenylyl cyclase V/VI in smooth muscleQ42516989
Phosphodiesterase regulation is critical for the differentiation and pattern of gene expression in granulosa cells of the ovarian follicleQ44370329
PDE10A inhibition reverses subchronic PCP-induced deficits in attentional set-shifting in ratsQ46401337
The application of hydrogen bonding analysis in X-ray crystallography to help orientate asparagine, glutamine and histidine side chainsQ47632162
Genetic deletion of the striatum-enriched phosphodiesterase PDE10A: evidence for altered striatal function.Q48499640
Purification and properties of periplasmic 3':5'-cyclic nucleotide phosphodiesterase. A novel zinc-containing enzyme from the marine symbiotic bacterium Vibrio fischeri.Q50759760
NQ-Flipper: validation and correction of asparagine/glutamine amide rotamers in protein crystal structures.Q51233426
The electrostatic potential of B-DNA.Q52425498
Adaptation in cyclic AMP signalling processes: A central role for cyclic AMP phosphodiesterasesQ57910633
Improved pseudobonds for combined ab initio quantum mechanical/molecular mechanical methodsQ81243360
P433issue20
P407language of work or nameEnglishQ1860
P1104number of pages7
P304page(s)7022-7028
P577publication date2010-05-01
P1433published inJournal of Physical Chemistry BQ668669
P1476titleCharacterization of the structures of phosphodiesterase 10 binding with adenosine 3',5'-monophosphate and guanosine 3',5'-monophosphate by hybrid quantum mechanical/molecular mechanical calculations
P478volume114

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cites work (P2860)
Q39230872Binding free energies for nicotine analogs inhibiting cytochrome P450 2A6 by a combined use of molecular dynamics simulations and QM/MM-PBSA calculations.
Q39817182Computational determination of binding structures and free energies of phosphodiesterase-2 with benzo[1,4]diazepin-2-one derivatives
Q35532041Fundamental reaction pathway and free energy profile for hydrolysis of intracellular second messenger adenosine 3',5'-cyclic monophosphate (cAMP) catalyzed by phosphodiesterase-4.
Q40370946Microscopic binding of M5 muscarinic acetylcholine receptor with antagonists by homology modeling, molecular docking, and molecular dynamics simulation

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