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74 results

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Page 1
Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography.
Greisman JB, Willmore L, Yeh CY, Giordanetto F, Shahamadtar S, Nisonoff H, Maragakis P, Shaw DE. Greisman JB, et al. Among authors: giordanetto f. J Chem Inf Model. 2023 May 8;63(9):2644-2650. doi: 10.1021/acs.jcim.3c00236. Epub 2023 Apr 22. J Chem Inf Model. 2023. PMID: 37086179 Free PMC article.
Fragment Hits: What do They Look Like and How do They Bind?
Giordanetto F, Jin C, Willmore L, Feher M, Shaw DE. Giordanetto F, et al. J Med Chem. 2019 Apr 11;62(7):3381-3394. doi: 10.1021/acs.jmedchem.8b01855. Epub 2019 Apr 1. J Med Chem. 2019. PMID: 30875465 Free PMC article.
Suppressing Kv1.3 Ion Channel Activity with a Novel Small Molecule Inhibitor Ameliorates Inflammation in a Humanised Mouse Model of Ulcerative Colitis.
Unterweger AL, Jensen MØ, Giordanetto F, Jogini V, Rüschher A, Seuß M, Winkelmann P, Koletzko L, Shaw DE, Siebeck M, Gropp R, Beigel F, Aszodi A. Unterweger AL, et al. Among authors: giordanetto f. J Crohns Colitis. 2021 Nov 8;15(11):1943-1958. doi: 10.1093/ecco-jcc/jjab078. J Crohns Colitis. 2021. PMID: 33891001 Free PMC article.
Molecular Basis of Small-Molecule Binding to α-Synuclein.
Robustelli P, Ibanez-de-Opakua A, Campbell-Bezat C, Giordanetto F, Becker S, Zweckstetter M, Pan AC, Shaw DE. Robustelli P, et al. Among authors: giordanetto f. J Am Chem Soc. 2022 Feb 16;144(6):2501-2510. doi: 10.1021/jacs.1c07591. Epub 2022 Feb 7. J Am Chem Soc. 2022. PMID: 35130691 Free PMC article.
Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors.
Taylor AM, Williams BR, Giordanetto F, Kelley EH, Lescarbeau A, Shortsleeves K, Tang Y, Walters WP, Arrazate A, Bowman C, Brophy E, Chan EW, Deshmukh G, Greisman JB, Hunsaker TL, Kipp DR, Saenz Lopez-Larrocha P, Maddalo D, Martin IJ, Maragakis P, Merchant M, Murcko M, Nisonoff H, Nguyen V, Nguyen V, Orozco O, Owen C, Pierce L, Schmidt M, Shaw DE, Smith S, Therrien E, Tran JC, Watters J, Waters NJ, Wilbur J, Willmore L. Taylor AM, et al. Among authors: giordanetto f. J Med Chem. 2023 Oct 12;66(19):13384-13399. doi: 10.1021/acs.jmedchem.3c00483. Epub 2023 Sep 29. J Med Chem. 2023. PMID: 37774359
Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3Kα Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Varkaris A, Pazolli E, Gunaydin H, Wang Q, Pierce L, Boezio AA, Bulku A, DiPietro L, Fridrich C, Frost A, Giordanetto F, Hamilton EP, Harris K, Holliday M, Hunter TL, Iskandar A, Ji Y, Larivée A, LaRochelle JR, Lescarbeau A, Llambi F, Lormil B, Mader MM, Mar BG, Martin I, McLean TH, Michelsen K, Pechersky Y, Puente-Poushnejad E, Raynor K, Rogala D, Samadani R, Schram AM, Shortsleeves K, Swaminathan S, Tajmir S, Tan G, Tang Y, Valverde R, Wehrenberg B, Wilbur J, Williams BR, Zeng H, Zhang H, Walters WP, Wolf BB, Shaw DE, Bergstrom DA, Watters J, Fraser JS, Fortin PD, Kipp DR. Varkaris A, et al. Among authors: giordanetto f. Cancer Discov. 2024 Feb 8;14(2):240-257. doi: 10.1158/2159-8290.CD-23-0944. Cancer Discov. 2024. PMID: 37916956 Free PMC article.
74 results