BIOCHEMISTRY
[NEW] R. K. Raju et al., Phys. Chem. Chem. Phys. 2010, 12, 7117-7125: Modelling the binding of HIV-reverse transcriptase and nevirapine: an assessment of quantum mechanical and force field approaches and predictions of the effect of mutations on binding.
[NEW] D. Solis et al., Int. J. Biochem. Cell Biol. 2010, 42, 1019-1029: N-domainofhumanadhesion/growth-regulatorygalectin-9:Preferencefor distinctconformersandnon-sialylatedN-glycansanddetectionof ligand-inducedstructuralchangesincrystalandsolution .
[NEW] I.-H. Park, C. Li, J. Molec. Recogn. 2010, 23, 1-12: Characterization of molecular recognition of STAT3 SH2 domain inhibitors through molecular simulation.
[NEW] N. Yahi et al., PLoS One. 2010; 5(2): e9079: doi: 10.1371: How Cholesterol Constrains Glycolipid Conformation for Optimal Recognition of Alzheimer's? Amyloid Peptide (Abeta1-40).
[NEW] M. Ihara et al., INVERTEBRATE NEUROSCIENCE, 8, 71-81, DOI: 10.1007/s10158-008-0069-3: Crystal structures of Lymnaea stagnalis AChBP in complex with neonicotinoid insecticides imidacloprid and clothianidin.
[NEW] K. Kar et al., Biochemistry 2009, 48, 7959-7968: Aromatic interactions promote self-association of collagen triple-helical peptides to higher-order structures.
[NEW] Y. Ferrand et al., Angew. Chem. Int. Ed. 2009, 48, 1775-1779: A synthetic lectin for O-linked beta-N-acetylglucosamine.
[NEW] A. F. Neuwald, BMC Structural Biology 2009, 9: 11: doi:10.1186/1472-6807-9-11: The glycine brace: a component of Rab, Rho, and Ran GTPases associated with hinge regions of guanine- and phosphate-binding loops.
[NEW] J. Fantini et al., Biochim. Biophys. Acta - Biomembranes 2009, 1788, 2345-2361: Sphingolipid/cholesterol regulation of neurotransmitter receptor conformation and function.
M. Maresca et al., Phys. Chem. Chem. Phys. 2008, 10, 2792-2800: Controlled aggregation of adenine by sugars: physicochemical studies, molecullar modelling simulations of sugar-aromatic CH-pi stacking interactions, and biological significance.
R. C. Yanagita et al., J. Med. Chem. 2008, 51, 46-56: Synthesis, conformational analysis, and biological evaluation of 1-hexylindolactam-V10 as a selective activator for novel protein kinase C isozymes.
K. P. Kursula et al., J. Mol. Biol. 2008, 375, 270-290: High-resolution structural analysis of mammalian profilin 2a complex formation with two physiological ligands: the formin homology 1 domain of mDia1 and the proline-rich domain of VASP.
H. Mukaiyama et al., Bioorg. Med. Chem. 2008, 16, 909-921: Novel pyrazolo[1,5-a]pyrimidines as c-Src kinase inhibitors that reduce IKr channel blockade.
M. Cohen et al., Proteins 2008, 72, 741-753: Similar chemistry, but different bond preferences in inter versus intra-protein interactions.
P. Chakrabarti, R. Bhattacharyya, Prog. Biophys. Mol. Biol. 2007, 95, 83-137: Geometry of nonbonded interactions involving planar groups in proteins. [Review]
G. Toth et al., Current Pharmac. Design 2007, 13, 3476-3430: The Role and Significance of Unconventional Hydrogen Bonds in Small Molecule Recognition by Biological Receptors of Pharmaceutical Relevance. [Review]
R. C. Yanagita et al., Heterocycles 2007, 73, 289-302: Binding selectivity of 1- or 12-substituted indolactam derivatives for protein kinase C isozymes.
G. Toth et al., Biochemistry 2006, 45, 6606-6614: Flap closing of HIV-1 protease due to the binding of substrate: a model for flap closing mechanism in retroviral aspartic proteases.
G. Toth, A. Borics, J. Mol. Modeling, Graphics 2006, 24, 465-474: The mechanism of flap opening of HIV-1 Protease.
J. Flint et al., J. Biol. Chem. 2005, 280, 23718-23726: Probing the mechanism of ligand recognition in family 29 carbohydrate-binding modules.
F. C. Acher, H.-O. Bertrand, Biopolymers 2005, 80, 357-366: Amino acid recognition by venus flytrap domains is encoded in an 8-residue motif.
V. Spiwok et al., Carbohydr. Res. 2004, 339, 2275-2280: Role of CH/pi interactions in substrate binding by Escherichia coli beta-galactosidase.
A. Bernardi et al., Chem. Eur. J. 2004, 4395-4406: Intramolecular carbohydrate-aromatic interactions and intermolecular van der Waals interactions enhance the molecular recognition ability of GM1 glycomimetics for cholera toxin.
K. Watanabe et al., Bull. Chem. Soc. Jpn. 2004, 77, 543-548: How does lipase flexibility affect its enantioselectivity in organic solvents? A possible role of CH...pi association in stabilization of enzyme-substrate complex.
T. Kinoshita et al., FEBS Lett. 2004, 556, 43-46: Inhibitor-induced structural change of the active site of human poly(ADP-ribose) polymerase.
D. J. Reinert et al., Chem. & Biol. 2004, 121-126: Conversion of squalene to the pentacarbocyclic hopene.
V. Kulsak et al., Chem.& Biol. 2003, 10, 331-340: Sexual Attraction in the Silkworm Moth: Nature of Binding of Bombykol in Pheromone Binding Protein - An Ab Initio Study.
P. Carnevali et al., J. Am. Chem. Soc. 2003,125, 14244-14245:Protein Structure Predictions using Monte Carlo Simulations with Modal Moves.
A.-S. Bessis et al., Proc.NAS 2002, 99, 11097-11102: Closure of the venus flytrap module of mGlu8 receptor and the activation process: Insights from mutations converting antagonists into agonists.
M. T. Reetz, Current Opinion in Chemical Biology 2002, 6, 145-150: Lipases as practical biocatalysts.
L. Chen et al., Bioorg. Med. Chem. Lett. 2002, 12, 1679-1682: Focused library approach for identification of new N-acylphenylalanines as VCAM/VLA-4 antagonist.
A. Matsushima et al., Bull. Chem. Soc. Jpn. 2000, 73, 2531-2538: Exploration of the role of phenylalanine in the thrombin receptor tethered-ligand peptide by substitution with a series of trifliorophenylalanines.
K. Ohgi et al., Biosci., Biotechnol., Biochem.. 2000, 64, 2068-2074: Enzymatic properties of phenylalanine 101 mutant enzyme of ribonuclease Rh from Rhizopus niveus.
H. Fretz et al., Curr. Pharm. Design 2000, 6, 1777-1796: Structure-based design of compounds inhibiting Grb2-SH2 mediated protein-protein interactions in signal transduction pathways.
T. Watanabe et al., Tetrahedron 2000, 56, 741-752: Structure-activity relationship and rational design of 3,4-dephostatin derivatives as protein tyrosine phosphate inhibitors.
A. Matsushima et al., J. Biochem. 2000, 128, 225-232: Edge-to-face CH/pi interaction between ligand Phe-phenyl and receptor aromatic group in the thrombin receptor activation.
T. Fujita et al., Tetrahedron Lett. 2000, 41, 923-927: Synthesis of a complete set of L-difluorophenylalanines, L-(F-2)Phe, as molecular explorers for the CH/pi interaction between peptide ligand and receptor.C. Kubli-Garfias et al., THEOCHEM 2000, 529, 203-208: Electronic structure of gonadotropin-releasing hormone (GnRH): a semiempirical study.
S. Ueji et al., Biochem. Lett. 1999, 21, 865-868: Lipase-catalyses esterification of 2-(4-substituted phenoxy)propionic acids in organic solvents: substituent effect controlling enantioselectivity toward racemic acids.
M. L. Barreca et al., Bioorg. Med. Chem. Lett. 1999, 7, 2283-2292: Comparative molecular field analysis (CoMFA) and docking studies of non-nucleoside HIV-1 RT inhibitors (NNIs).
Y. Shimohigashi et al., Biopolymers 1999, 51, 9-17: Design of serine protease inhibitors with conformation restricted by amino acid side-chain-side-chain CH/pi interaction.
J. Schoepfer et al., Bioorg. Med. Chem. Lett. 1999, 7, 221-226: Highly potent inhibitors of the Grb2-SH2 domain.
T. Nose et al., J. Biochem. 1998, 124, 354-358: Interaction mode of the Phe-phenyl group of thrombin receptor-tethered ligand SFLLRNP in receptor activation.
T. Sato et al., Biosci. Biotech. Biochem. 1998, 62, 407-411: Overexpression of squalene-hopene cyclase by the pet vector in E. coli and first identification of Trp and Asp residues inside the QW motif as active-sites.
Y. Inoue et al., J. Hypertension 1997, 15, 703-714 : A review of mutagenesis studies of angiotensin II type 1 receptor, the three-dimensional receptor model in search of the agonist and antagonist binding site and the hypothesis of a receptor activation mechanism [REVIEW].
T. Kawasaki et al., Chem. Lett. 1997, 351-352: The mode of substrate-recognition mechanism of arylmalonate decarboxylase.
T. Kawasaki et al., Bull. Chem. Soc. Jpn. 1996, 69, 3591-3594: On the conformation of the substrate binding to the active site during the course of enzymatic decarboxylation
S. Kanzler et al., Bioorg. Med. Chem. Lett. 1996, 6, 1865-1868: A novel class of vitamin D analogs. Synthesis and preliminary biological evaluation.
I. Maeda et al., J. Biochem. 1996, 119, 870-877: Chymotripsin inhibition induced by side chain-side chain intramolecular CH/pi interaction.
I. Maeda et al., Biochem. Biophys. Res. Commun. 1993, 193, 428-433: Water-soluble chymotripsin specific inhibitors containing arginine.
N. Morisaki et al., Eur. J. Biochem. 1993, 211, 111-115: Effect of side-chain structure on inhibition of yeast fatty-acid synthase by cerulenin analogues.
See also D. H. Kim et al., Bioorg. Med. Chem. 1998, 6, 239-249; Y. Shimohigashi et al., J. Chem. Soc., Perkin Trans. 1 1996, 2479-2485.