Format
Sort by
Items per page

Send to

Choose Destination

Links from PubMed

Items: 1 to 20 of 126

1.

Water networks contribute to enthalpy/entropy compensation in protein-ligand binding.

Breiten B, Lockett MR, Sherman W, Fujita S, Al-Sayah M, Lange H, Bowers CM, Heroux A, Krilov G, Whitesides GM.

J Am Chem Soc. 2013 Oct 16;135(41):15579-84. doi: 10.1021/ja4075776. Epub 2013 Oct 3.

PMID:
24044696
2.

The binding of benzoarylsulfonamide ligands to human carbonic anhydrase is insensitive to formal fluorination of the ligand.

Lockett MR, Lange H, Breiten B, Heroux A, Sherman W, Rappoport D, Yau PO, Snyder PW, Whitesides GM.

Angew Chem Int Ed Engl. 2013 Jul 22;52(30):7714-7. doi: 10.1002/anie.201301813. Epub 2013 Jun 20.

PMID:
23788494
3.

Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase.

Snyder PW, Mecinovic J, Moustakas DT, Thomas SW 3rd, Harder M, Mack ET, Lockett MR, Héroux A, Sherman W, Whitesides GM.

Proc Natl Acad Sci U S A. 2011 Nov 1;108(44):17889-94. doi: 10.1073/pnas.1114107108. Epub 2011 Oct 19.

4.

Intrinsic thermodynamics of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide binding to carbonic anhydrases by isothermal titration calorimetry.

Zubrienė A, Smirnovienė J, Smirnov A, Morkūnaitė V, Michailovienė V, Jachno J, Juozapaitienė V, Norvaišas P, Manakova E, Gražulis S, Matulis D.

Biophys Chem. 2015 Oct;205:51-65. doi: 10.1016/j.bpc.2015.05.009. Epub 2015 Jun 6.

PMID:
26079542
5.

Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase.

Mecinović J, Snyder PW, Mirica KA, Bai S, Mack ET, Kwant RL, Moustakas DT, Héroux A, Whitesides GM.

J Am Chem Soc. 2011 Sep 7;133(35):14017-26. doi: 10.1021/ja2045293. Epub 2011 Aug 15.

6.

Thermodynamics of metal ion binding. 2. Metal ion binding by carbonic anhydrase variants.

DiTusa CA, McCall KA, Christensen T, Mahapatro M, Fierke CA, Toone EJ.

Biochemistry. 2001 May 8;40(18):5345-51.

PMID:
11330997
7.

Residual ligand entropy in the binding of p-substituted benzenesulfonamide ligands to bovine carbonic anhydrase II.

Stöckmann H, Bronowska A, Syme NR, Thompson GS, Kalverda AP, Warriner SL, Homans SW.

J Am Chem Soc. 2008 Sep 17;130(37):12420-6. doi: 10.1021/ja803755m. Epub 2008 Aug 22.

PMID:
18717559
8.

Characterization of human carbonic anhydrase XII stability and inhibitor binding.

Jogaitė V, Zubrienė A, Michailovienė V, Gylytė J, Morkūnaitė V, Matulis D.

Bioorg Med Chem. 2013 Mar 15;21(6):1431-6. doi: 10.1016/j.bmc.2012.10.016. Epub 2012 Oct 27.

PMID:
23159038
9.

Constraining binding hot spots: NMR and molecular dynamics simulations provide a structural explanation for enthalpy-entropy compensation in SH2-ligand binding.

Ward JM, Gorenstein NM, Tian J, Martin SF, Post CB.

J Am Chem Soc. 2010 Aug 18;132(32):11058-70. doi: 10.1021/ja910535j.

10.
11.

Thermodynamic stability of carbonic anhydrase: measurements of binding affinity and stoichiometry using ThermoFluor.

Matulis D, Kranz JK, Salemme FR, Todd MJ.

Biochemistry. 2005 Apr 5;44(13):5258-66.

PMID:
15794662
12.

Correlation analyses on binding affinity of substituted benzenesulfonamides with carbonic anhydrase using ab initio MO calculations on their complex structures.

Yoshida T, Munei Y, Hitaoka S, Chuman H.

J Chem Inf Model. 2010 May 24;50(5):850-60. doi: 10.1021/ci100068w.

PMID:
20415451
13.

Discrimination of ligands with different flexibilities resulting from the plasticity of the binding site in tubulin.

Chakraborti S, Chakravarty D, Gupta S, Chatterji BP, Dhar G, Poddar A, Panda D, Chakrabarti P, Ghosh Dastidar S, Bhattacharyya B.

Biochemistry. 2012 Sep 11;51(36):7138-48. Epub 2012 Aug 27.

PMID:
22891709
14.

Structural parameterization of the binding enthalpy of small ligands.

Luque I, Freire E.

Proteins. 2002 Nov 1;49(2):181-90.

PMID:
12210999
15.
16.

Investigations into the thermodynamics of polypeptide interaction with nonpolar ligands.

Hearn MT, Zhao G.

Anal Chem. 1999 Nov 1;71(21):4874-85.

PMID:
10565277
17.

Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect.

Biela A, Sielaff F, Terwesten F, Heine A, Steinmetzer T, Klebe G.

J Med Chem. 2012 Jul 12;55(13):6094-110. doi: 10.1021/jm300337q. Epub 2012 Jun 25.

PMID:
22612268
18.

Free enthalpies of replacing water molecules in protein binding pockets.

Riniker S, Barandun LJ, Diederich F, Krämer O, Steffen A, van Gunsteren WF.

J Comput Aided Mol Des. 2012 Dec;26(12):1293-309. doi: 10.1007/s10822-012-9620-8. Epub 2012 Dec 18.

PMID:
23247390
19.

Van der Waals interactions dominate ligand-protein association in a protein binding site occluded from solvent water.

Barratt E, Bingham RJ, Warner DJ, Laughton CA, Phillips SE, Homans SW.

J Am Chem Soc. 2005 Aug 24;127(33):11827-34.

PMID:
16104761

Supplemental Content

Support Center