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Items: 8


Mechanism of the Dual Activities of Human CYP17A1 and Binding to Anti-Prostate Cancer Drug Abiraterone Revealed by a Novel V366M Mutation Causing 17,20 Lyase Deficiency.

Fernández-Cancio M, Camats N, Flück CE, Zalewski A, Dick B, Frey BM, Monné R, Torán N, Audí L, Pandey AV.

Pharmaceuticals (Basel). 2018 Apr 29;11(2). pii: E37. doi: 10.3390/ph11020037.


The price of flexibility - a case study on septanoses as pyranose mimetics.

Sager CP, Fiege B, Zihlmann P, Vannam R, Rabbani S, Jakob RP, Preston RC, Zalewski A, Maier T, Peczuh MW, Ernst B.

Chem Sci. 2017 Nov 8;9(3):646-654. doi: 10.1039/c7sc04289b. eCollection 2018 Jan 21.


Mutation of Tyr137 of the universal Escherichia coli fimbrial adhesin FimH relaxes the tyrosine gate prior to mannose binding.

Rabbani S, Krammer EM, Roos G, Zalewski A, Preston R, Eid S, Zihlmann P, Prévost M, Lensink MF, Thompson A, Ernst B, Bouckaert J.

IUCrJ. 2017 Jan 1;4(Pt 1):7-23. doi: 10.1107/S2052252516016675. eCollection 2017 Jan 1.


Vitamin D-Dependent Rickets Type 1 Caused by Mutations in CYP27B1 Affecting Protein Interactions With Adrenodoxin.

Zalewski A, Ma NS, Legeza B, Renthal N, Flück CE, Pandey AV.

J Clin Endocrinol Metab. 2016 Sep;101(9):3409-18. doi: 10.1210/jc.2016-2124. Epub 2016 Jul 11.


Exploring the free-energy landscape of carbohydrate-protein complexes: development and validation of scoring functions considering the binding-site topology.

Eid S, Saleh N, Zalewski A, Vedani A.

J Comput Aided Mol Des. 2014 Dec;28(12):1191-204. doi: 10.1007/s10822-014-9794-3. Epub 2014 Sep 10.


A molecular-modeling toolbox aimed at bridging the gap between medicinal chemistry and computational sciences.

Eid S, Zalewski A, Smieško M, Ernst B, Vedani A.

Int J Mol Sci. 2013 Jan 4;14(1):684-700. doi: 10.3390/ijms14010684.


FimH antagonists: structure-activity and structure-property relationships for biphenyl α-D-mannopyranosides.

Pang L, Kleeb S, Lemme K, Rabbani S, Scharenberg M, Zalewski A, Schädler F, Schwardt O, Ernst B.

ChemMedChem. 2012 Aug;7(8):1404-22. doi: 10.1002/cmdc.201200125. Epub 2012 May 29.


Design, synthesis and biological evaluation of mannosyl triazoles as FimH antagonists.

Schwardt O, Rabbani S, Hartmann M, Abgottspon D, Wittwer M, Kleeb S, Zalewski A, Smieško M, Cutting B, Ernst B.

Bioorg Med Chem. 2011 Nov 1;19(21):6454-73. doi: 10.1016/j.bmc.2011.08.057. Epub 2011 Aug 31.


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