Publications

48. Singh K, Tanui R, Gameiro A, Eisenberg G, Colas C, Schlessinger A, Grewer C (2016) Structure activity relationships of benzylproline-derived inhibitors of the glutamine transporter ASCT2 Bioorg Med Chem Lett In print

47. Gundersen GW, Jagodnik KM, Woodland H, Fernandez NF, Sani K, Dohlman AB, Ung PMU, Monteiro CD, Schlessinger A, Ma’ayan A (2016) GEN3VA: aggregation and analysis of gene expression signatures from related studies BMC Bioinf 17:461

46.  Zur AA , Chien H-C, Augustyn E, Flint A, Heeren N, Finke K, Hernandez C, Hansen L, Miller S, Lin L, Giacomini KM, Colas C, Schlessinger A, Thomas AA  (2016) LAT1 activity of carboxylic acid bioisosteres: Evaluation of hydroxamic acids as substrates Bioorg Med Chem Lett 26 (20):5000-6

45. Klotz J, Porter BE, Colas CSchlessinger A, Pajor AM (2016) Mutations in the Na+/citrate cotransporter NaCT (SLC13A5) in pediatric patients with epilepsy and developmental delay Mol Med 22:310-21

44. Truong TH, Ung PMU, Palde PB, Paulsen CE, Schlessinger A, Carroll KS (2016) Molecular Basis for Redox Activation of Epidermal Growth Factor Receptor Kinase Cell Chem Biol 23 (7):837-48

43. Ung PMU, Song W, Cheng L, Zhao X, Hu H, Chen L, Schlessinger A (2016) Inhibitor Discovery for the Human GLUT1 from Homology Modeling and Virtual Screening ACS Chem Biol 11 (7):1908-16

42. Colas CUng PMU, Schlessinger A (2016) SLC Transporters : Structure, Function and Drug Discovery Med Chem Comm 7:1069-81

41. Augustyn E, Finke K, Zur AA, Hansen L, Heeren N, Chien HC, Lin L, Giacomini KM, Colas C, Schlessinger A, Thomas AA (2016) LAT-1 activity of meta-substituted phenylalanine and tyrosine analogs Bioorg Med Chem Lett 26 (11):2616-21

40. Colas C, Smith DE, Schlessinger A (2016) Computing Substrate Selectivity in a Peptide Transporter Cell Chem Biol 23 (2):211-3

39. Colas C, Grewer C,  Otte NJ, Gameiro A, Albers T, Singh K, Shere H, Bonomi M,  Holst J, and Schlessinger A (2015) Ligand discovery for the Alanine-Serine-Cysteine transporter (ASCT2, SLC1A5) from homology modeling and virtual screening. PLoS Comput Biol 11(10):e1004477.

38. Vicedo E, Schlessinger A, Rost B (2015) Environmental Pressure May Change the Composition Protein Disorder in Prokaryotes. PLoS One 10(8):e0133990.

37. Colas C, Pajor AM, Schlessinger A (2015) Structure-Based Identification of Inhibitors for the SLC13 Family of Na(+)/Dicarboxylate Cotransporters. Biochemistry 54 (31):4900-8.

36. Ung PMU, Schlessinger A (2015) DFGmodel: Predicting protein kinase structures in inactive states for structure-based discovery of type-II inhibitors. ACS Chem Biol 10 (1):269-78.

35. Kuechler A, Zink AM, Wieland T, Lüdecke HJ, Cremer K, Salviati L, Magini P, Najafi K, Zweier C, Czeschik JC, Aretz S, Endele S, Tamburrino F, Pinato C, Clementi M, Gundlach J, Maylahn C, Mazzanti L, Wohlleber E, Schwarzmayr T, Kariminejad R, Schlessinger A, Wieczorek D, Strom TM, Novarino G, Engels H (2015) Loss-of-function variants of SETD5 cause intellectual disability and the core phenotype of microdeletion 3p25.3 syndrome.
Eur J Hum Genet 23 (6):753-60.

34. Schlessinger A, Sun NN, Colas C, Pajor AM (2014) Determinants of substrate and cation transport in the human Na+/dicarboxylate cotransporter, NaDC3.  J Biol Chem 289 (24):16998-17008.

33. Yachdav G, Kloppmann E, Kajan L, Hecht M, Goldberg T, Hamp T, Schafferhans A, Roos M, Bernhofer M, Richter L, Ashkenazy H, Punta M, Schlessinger A, Bromberg Y, Schneider R, Vriend G, Sander C, Ben-Tal N, Rost B (2014) PredictProtein – open online prediction of protein structure and function. Nucleic Acids Res 42 (Web Server issue):W337-43.

32. Feiglin A, Ashkenazi S, Schlessinger A, Rost B, Ofran Y (2014) Co-expression and co-localization of hub proteins and their partners are encoded in protein sequence. Mol Biosyst 210 (4):787-94.

31. Schlessinger A. (2014) Characterizing the structure, function, and evolution of human Solute Carrier (SLC) transporters using computational approaches. In: Membrane Transport Mechanism: 3D Structure and Beyond (Springer Series in Biophysics).  Ed: R. Krämer and C Ziegler, pp. 23-58, Springer, ISBN-13: 978-36425383.

30. Schlessinger A, Yee SW, Sali A, Giacomini KM (2013) SLC classification: an update. Clin Pharmacol Ther 94 (1):19-23.

29. Waight AB, Pedersen BP, Schlessinger A, Bonomi M, Chau BH, Roe-Zurz Z, Risenmay AJ, Sali A, Stroud RM (2013) Structural basis for alternating access of a eukaryotic calcium/proton exchanger. Nature 496 (7446):533-6.

28. Schlessinger A, Khuri N, Giacomini KM, Sali A (2013) Molecular modeling and ligand docking for Solute Carrier (SLC) transporters. Curr Top Med Chem 13 (7):843-856

27. van Dam TJ, Townsend MJ, Turk M, Schlessinger A, Sali A, Field MC, Huynen MA (2013) Evolution of modular intraflagellar transport from a coatomer-like progenitor. Proc Natl Acad Sci U S A 110 (17):6943-8.

26. Pedersen BP, Kumar H, Waight AB, Risenmay AJ, Roe-Zurz Z, Chau BH, Schlessinger A, Bonomi M, Harries W, Sali A, Johri AK, Stroud RM (2013) Crystal structure of a eukaryotic phosphate transporter. Nature 496 (7446):533-536.

25. Geier EG*, Schlessinger A*, Fan H, Gable JE, Irwin JJ, Sali A, Giacomini KM (2013) Structure-based ligand discovery for the Large-neutral Amino Acid Transporter 1, LAT-1. Proc Natl Acad Sci U S A 110 (14):5480-5485.

24. Pieper U, Schlessinger A, Kloppmann E, Chang GA, Chou JJ, Dumont ME, Fox BG, Fromme P, Hendrickson WA, Malkowski MG, Rees DC, Stokes DL, Stowell MH, Wiener MC, Rost B, Stroud RM, Stevens RC, Sali A (2013) Coordinating the impact of structural genomics on the human alpha-helical transmembrane proteome. Nat Struct Mol Biol 20 (2):135-138.

23. Schlessinger A*, Wittwer MB*, Dahlin A, Khuri N, Bonomi M, Fan H, Giacomini KM, Sali A (2012) High Selectivity of the gamma-Aminobutyric Acid Transporter 2 (GAT-2, SLC6A13) Revealed by Structure-based Approach. J Biol Chem 287 (45):37745-37756.

22. Choi JH, Yee SW, Ramirez AH, Morrissey KM, Jang GH, Joski PJ, Mefford JA, Hesselson SE, Schlessinger A, Jenkins G, Castro RA, Johns SJ, Stryke D, Sali A, Ferrin TE, Witte JS, Kwok PY, Roden DM, Wilke RA, McCarty CA, Davis RL, Giacomini KM (2011) A common 5′-UTR variant in MATE2-K is associated with poor response to metformin. Clin Pharmacol Ther 90 (5):674-684.

21. Carlsson J, Coleman RG, Setola V, Irwin JJ, Fan H, Schlessinger A, Sali A, Roth BL, Shoichet BK (2011) Ligand discovery from a dopamine D3 receptor homology model and crystal structure. Nat Chem Biol 7 (11):769-778.

20. Schlessinger A, Geier E, Fan H, Irwin JJ, Shoichet BK, Giacomini KM, Sali A (2011) Structure-based discovery of prescription drugs that interact with the norepinephrine transporter, NET. Proc Natl Acad Sci U S A 108 (38):15810-15815.

19. Schlessinger A, Schaefer C, Vicedo E, Schmidberger M, Punta M, Rost B (2011) Protein disorder–a breakthrough invention of evolution? Curr Opin Struct Biol 21 (3):412-418.

18. Dokudovskaya S, Waharte F, Schlessinger A, Pieper U, Devos DP, Cristea IM, Williams R, Salamero J, Chait BT, Sali A, Field MC, Rout MP, Dargemont C (2011) A conserved coatomer-related complex containing Sec13 and Seh1 dynamically associates with the vacuole in Saccharomyces cerevisiae. Mol Cell Proteomics 10 (6):M110 006478.

17. Pieper U, Webb BM, Barkan DT, Schneidman-Duhovny D, Schlessinger A, Braberg H, Yang Z, Meng EC, Pettersen EF, Huang CC, Datta RS, Sampathkumar P, Madhusudhan MS, Sjolander K, Ferrin TE, Burley SK, Sali A (2011) ModBase, a database of annotated comparative protein structure models, and associated resources. Nucleic Acids Res 39 (Database issue):D465-474.

16. Chen L, Takizawa M, Chen E, Schlessinger A, Segenthelar J, Choi JH, Sali A, Kubo M, Nakamura S, Iwamoto Y, Iwasaki N, Giacomini KM (2010) Genetic polymorphisms in organic cation transporter 1 (OCT1) in Chinese and Japanese populations exhibit altered function. J Pharmacol Exp Ther 335 (1):42-50.

15. Chen L, Pawlikowski B, Schlessinger A, More SS, Stryke D, Johns SJ, Portman MA, Chen E, Ferrin TE, Sali A, Giacomini KM (2010) Role of organic cation transporter 3 (SLC22A3) and its missense variants in the pharmacologic action of metformin. Pharmacogenet Genomics 20 (11):687-699.

14. Lasker K, Phillips JL, Russel D, Velázquez-Muriel J, Schneidman-Duhovny D, Tjioe E, Webb B, Schlessinger A, Sali A (2010) Integrative structure modeling of macromolecular assemblies from proteomics data. Mol Cell Proteomics 9 (8):1689-702.

13. Gruswitz F, Chaudhary S, Ho JD, Schlessinger A, Pezeshki B, Ho CM, Sali A, Westhoff CM, Stroud RM (2010) Function of human Rh based on structure of RhCG at 2.1 A. Proc Natl Acad Sci U S A 107 (21):9638-9643.

12. Schaefer C, Schlessinger A, Rost B (2010) Protein secondary structure appears to be robust under in silico evolution while protein disorder appears not to be. Bioinformatics 26 (5):625-631.

11. Schlessinger A, Matsson P, Shima JE, Pieper U, Yee SW, Kelly L, Apeltsin L, Stroud RM, Ferrin TE, Giacomini KM, Sali A (2010) Comparison of human solute carriers. Protein Sci 19 (3):412-428.

10. Schlessinger A, Punta M, Yachdav G, Kajan L, Rost B (2009) Improved disorder prediction by combination of orthogonal approaches. PLoS One 4 (2):e4433.

9. Galea CA, High AA, Obenauer JC, Mishra A, Park CG, Punta M, Schlessinger A, Ma J, Rost B, Slaughter CA, Kriwacki RW (2009) Large-scale analysis of thermostable, mammalian proteins provides insights into the intrinsically disordered proteome. J Proteome Res 8 (1):211-226.

8. Ofran Y*, Schlessinger A*, Rost B (2008) Automated identification of complementarity determining regions (CDRs) reveals peculiar characteristics of CDRs and B cell epitopes. J Immunol 181 (9):6230-6235.

7. Schlessinger A, Punta M, Rost B (2007) Natively unstructured regions in proteins identified from contact predictions. Bioinformatics 23 (18):2376-2384.

6. Schlessinger A, Liu J, Rost B (2007) Natively unstructured loops differ from other loops. PLoS Comput Biol 3 (7):e140.

5. Greenbaum JA, Andersen PH, Blythe M, Bui HH, Cachau RE, Crowe J, Davies M, Kolaskar AS, Lund O, Morrison S, Mumey B, Ofran Y, Pellequer JL, Pinilla C, Ponomarenko JV, Raghava GP, van Regenmortel MH, Roggen EL, Sette A, Schlessinger A, Sollner J, Zand M, Peters B (2007) Towards a consensus on datasets and evaluation metrics for developing B-cell epitope prediction tools. J Mol Recognit 20 (2):75-82.

4. Schlessinger A, Yachdav G, Rost B (2006) PROFbval: predict flexible and rigid residues in proteins. Bioinformatics 22 (7):891-893.

3. Schlessinger A*, Ofran Y*, Yachdav G, Rost B (2006) Epitome: database of structure-inferred antigenic epitopes. Nucleic Acids Res 34 (Database issue):D777-780.

2. Schlessinger A, Rost B (2005) Protein flexibility and rigidity predicted from sequence. Proteins 61 (1):115-126.

1. Petrey D, Xiang Z, Tang CL, Xie L, Gimpelev M, Mitros T, Soto CS, Goldsmith-Fischman S, Kernytsky A, Schlessinger A, Koh IY, Alexov E, Honig B (2003) Using multiple structure alignments, fast model building, and energetic analysis in fold recognition and homology modeling. Proteins 53 Suppl 6:430-435.