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Items: 1 to 50 of 282

1.

Crucial Role of the SH2B1 PH Domain for the Control of Energy Balance.

Flores A, Argetsinger LS, Stadler LKJ, Malaga AE, Vander PB, DeSantis LC, Joe RM, Cline JM, Keogh JM, Henning E, Barroso I, Mendes de Oliveira E, Chandrashekar G, Clutter ES, Hu Y, Stuckey J, Farooqi IS, Myers MG Jr, Carter-Su C.

Diabetes. 2019 Aug 22. pii: db190608. doi: 10.2337/db19-0608. [Epub ahead of print]

PMID:
31439647
2.

Discovery and Characterization of a Cellular Potent Positive Allosteric Modulator of the Polycomb Repressive Complex 1 Chromodomain, CBX7.

Lamb KN, Bsteh D, Dishman SN, Moussa HF, Fan H, Stuckey JI, Norris JL, Cholensky SH, Li D, Wang J, Sagum C, Stanton BZ, Bedford MT, Pearce KH, Kenakin TP, Kireev DB, Wang GG, James LI, Bell O, Frye SV.

Cell Chem Biol. 2019 Oct 17;26(10):1365-1379.e22. doi: 10.1016/j.chembiol.2019.07.013. Epub 2019 Aug 15.

PMID:
31422906
3.

Structure-Based Discovery of M-89 as a Highly Potent Inhibitor of the Menin-Mixed Lineage Leukemia (Menin-MLL) Protein-Protein Interaction.

Aguilar A, Zheng K, Xu T, Xu S, Huang L, Fernandez-Salas E, Liu L, Bernard D, Harvey KP, Foster C, McEachern D, Stuckey J, Chinnaswamy K, Delproposto J, Kampf JW, Wang S.

J Med Chem. 2019 Jul 11;62(13):6015-6034. doi: 10.1021/acs.jmedchem.9b00021. Epub 2019 Jun 22.

PMID:
31244110
4.

Canonical PRC1 controls sequence-independent propagation of Polycomb-mediated gene silencing.

Moussa HF, Bsteh D, Yelagandula R, Pribitzer C, Stecher K, Bartalska K, Michetti L, Wang J, Zepeda-Martinez JA, Elling U, Stuckey JI, James LI, Frye SV, Bell O.

Nat Commun. 2019 Apr 29;10(1):1931. doi: 10.1038/s41467-019-09628-6.

5.

Discovery of ERD-308 as a Highly Potent Proteolysis Targeting Chimera (PROTAC) Degrader of Estrogen Receptor (ER).

Hu J, Hu B, Wang M, Xu F, Miao B, Yang CY, Wang M, Liu Z, Hayes DF, Chinnaswamy K, Delproposto J, Stuckey J, Wang S.

J Med Chem. 2019 Feb 14;62(3):1420-1442. doi: 10.1021/acs.jmedchem.8b01572. Epub 2019 Jan 18.

PMID:
30990042
6.

How Outer Coordination Sphere Modifications Can Impact Metal Structures in Proteins: A Crystallographic Evaluation.

Ruckthong L, Stuckey JA, Pecoraro VL.

Chemistry. 2019 May 10;25(27):6773-6787. doi: 10.1002/chem.201806040. Epub 2019 Apr 25.

7.

Addendum: A cellular chemical probe targeting the chromodomains of Polycomb repressive complex 1.

Stuckey JI, Dickson BM, Cheng N, Liu Y, Norris JL, Cholensky SH, Tempel W, Qin S, Huber KG, Sagum C, Black K, Li F, Huang XP, Roth BL, Baughman BM, Senisterra G, Pattenden SG, Vedadi M, Brown PJ, TBedford M, Min J, Arrowsmith CH, James LI, Frye SV.

Nat Chem Biol. 2019 Aug;15(8):846. doi: 10.1038/s41589-019-0242-5. No abstract available.

PMID:
30842648
8.

Interplay Effect of Target Motion and Pencil-Beam Scanning in Proton Therapy for Pediatric Patients.

Boria AJ, Uh J, Pirlepesov F, Stuckey JC, Axente M, Gargone MA, Hua CH.

Int J Part Ther. 2018 Fall;5(2):1-10. doi: 10.14338/IJPT-17-00030.1. Epub 2018 Nov 30.

PMID:
30800718
9.

Structure-Based Design of N-(5-Phenylthiazol-2-yl)acrylamides as Novel and Potent Glutathione S-Transferase Omega 1 Inhibitors.

Dai W, Samanta S, Xue D, Petrunak EM, Stuckey JA, Han Y, Sun D, Wu Y, Neamati N.

J Med Chem. 2019 Mar 28;62(6):3068-3087. doi: 10.1021/acs.jmedchem.8b01960. Epub 2019 Feb 22.

PMID:
30735370
10.

Discovery of ARD-69 as a Highly Potent Proteolysis Targeting Chimera (PROTAC) Degrader of Androgen Receptor (AR) for the Treatment of Prostate Cancer.

Han X, Wang C, Qin C, Xiang W, Fernandez-Salas E, Yang CY, Wang M, Zhao L, Xu T, Chinnaswamy K, Delproposto J, Stuckey J, Wang S.

J Med Chem. 2019 Jan 24;62(2):941-964. doi: 10.1021/acs.jmedchem.8b01631. Epub 2019 Jan 10.

PMID:
30629437
11.

Changing the Apoptosis Pathway through Evolutionary Protein Design.

Shultis D, Mitra P, Huang X, Johnson J, Khattak NA, Gray F, Piper C, Czajka J, Hansen L, Wan B, Chinnaswamy K, Liu L, Wang M, Pan J, Stuckey J, Cierpicki T, Borchers CH, Wang S, Lei M, Zhang Y.

J Mol Biol. 2019 Feb 15;431(4):825-841. doi: 10.1016/j.jmb.2018.12.016. Epub 2019 Jan 6.

PMID:
30625288
12.

Walking along chromosomes with super-resolution imaging, contact maps, and integrative modeling.

Nir G, Farabella I, Pérez Estrada C, Ebeling CG, Beliveau BJ, Sasaki HM, Lee SD, Nguyen SC, McCole RB, Chattoraj S, Erceg J, AlHaj Abed J, Martins NMC, Nguyen HQ, Hannan MA, Russell S, Durand NC, Rao SSP, Kishi JY, Soler-Vila P, Di Pierro M, Onuchic JN, Callahan SP, Schreiner JM, Stuckey JA, Yin P, Aiden EL, Marti-Renom MA, Wu CT.

PLoS Genet. 2018 Dec 26;14(12):e1007872. doi: 10.1371/journal.pgen.1007872. eCollection 2018 Dec.

13.

Correction to "Quantitative Characterization of Bivalent Probes for a Dual Bromodomain Protein, Transcription Initiation Factor TFIID subunit 1".

Suh JL, Watts B, Stuckey JI, Norris-Drouin JL, Cholensky SH, Dickson BM, An Y, Mathea S, Salah E, Knapp S, Khan A, Adams AT, Strahl BD, Sagum CA, Bedford MT, James LI, Kireev DB, Frye SV.

Biochemistry. 2018 Dec 11;57(49):6806. doi: 10.1021/acs.biochem.8b01187. Epub 2018 Nov 28. No abstract available.

PMID:
30485080
14.

Clarifying the Copper Coordination Environment in a de Novo Designed Red Copper Protein.

Koebke KJ, Ruckthong L, Meagher JL, Mathieu E, Harland J, Deb A, Lehnert N, Policar C, Tard C, Penner-Hahn JE, Stuckey JA, Pecoraro VL.

Inorg Chem. 2018 Oct 1;57(19):12291-12302. doi: 10.1021/acs.inorgchem.8b01989. Epub 2018 Sep 18.

15.

Differential Conformational Dynamics Encoded by the Linker between Quasi RNA Recognition Motifs of Heterogeneous Nuclear Ribonucleoprotein H.

Penumutchu SR, Chiu LY, Meagher JL, Hansen AL, Stuckey JA, Tolbert BS.

J Am Chem Soc. 2018 Sep 19;140(37):11661-11673. doi: 10.1021/jacs.8b05366. Epub 2018 Sep 10.

16.

From proteomics to discovery of first-in-class ST2 inhibitors active in vivo.

Ramadan AM, Daguindau E, Rech JC, Chinnaswamy K, Zhang J, Hura GL, Griesenauer B, Bolten Z, Robida A, Larsen M, Stuckey JA, Yang CY, Paczesny S.

JCI Insight. 2018 Jul 26;3(14). pii: 99208. doi: 10.1172/jci.insight.99208. eCollection 2018 Jul 26.

17.

Discovery of QCA570 as an Exceptionally Potent and Efficacious Proteolysis Targeting Chimera (PROTAC) Degrader of the Bromodomain and Extra-Terminal (BET) Proteins Capable of Inducing Complete and Durable Tumor Regression.

Qin C, Hu Y, Zhou B, Fernandez-Salas E, Yang CY, Liu L, McEachern D, Przybranowski S, Wang M, Stuckey J, Meagher J, Bai L, Chen Z, Lin M, Yang J, Ziazadeh DN, Xu F, Hu J, Xiang W, Huang L, Li S, Wen B, Sun D, Wang S.

J Med Chem. 2018 Aug 9;61(15):6685-6704. doi: 10.1021/acs.jmedchem.8b00506. Epub 2018 Jul 18.

18.

Structure-Based Discovery of CF53 as a Potent and Orally Bioavailable Bromodomain and Extra-Terminal (BET) Bromodomain Inhibitor.

Zhao Y, Zhou B, Bai L, Liu L, Yang CY, Meagher JL, Stuckey JA, McEachern D, Przybranowski S, Wang M, Ran X, Aguilar A, Hu Y, Kampf JW, Li X, Zhao T, Li S, Wen B, Sun D, Wang S.

J Med Chem. 2018 Jul 26;61(14):6110-6120. doi: 10.1021/acs.jmedchem.8b00483. Epub 2018 Jul 17.

19.

Discovery of Mcl-1 inhibitors from integrated high throughput and virtual screening.

Mady ASA, Liao C, Bajwa N, Kump KJ, Abulwerdi FA, Lev KL, Miao L, Grigsby SM, Perdih A, Stuckey JA, Du Y, Fu H, Nikolovska-Coleska Z.

Sci Rep. 2018 Jul 5;8(1):10210. doi: 10.1038/s41598-018-27899-9.

20.

Structure of cytochrome P450 2B4 with an acetate ligand and an active site hydrogen bond network similar to oxyferrous P450cam.

Yang Y, Bu W, Im S, Meagher J, Stuckey J, Waskell L.

J Inorg Biochem. 2018 Aug;185:17-25. doi: 10.1016/j.jinorgbio.2018.04.015. Epub 2018 Apr 30. No abstract available.

21.

Design, Synthesis, and Biological Evaluation of 4-Quinoline Carboxylic Acids as Inhibitors of Dihydroorotate Dehydrogenase.

Madak JT, Cuthbertson CR, Miyata Y, Tamura S, Petrunak EM, Stuckey JA, Han Y, He M, Sun D, Showalter HD, Neamati N.

J Med Chem. 2018 Jun 28;61(12):5162-5186. doi: 10.1021/acs.jmedchem.7b01862. Epub 2018 May 14.

PMID:
29727569
22.

Quantitative Characterization of Bivalent Probes for a Dual Bromodomain Protein, Transcription Initiation Factor TFIID Subunit 1.

Suh JL, Watts B, Stuckey JI, Norris-Drouin JL, Cholensky SH, Dickson BM, An Y, Mathea S, Salah E, Knapp S, Khan A, Adams AT, Strahl BD, Sagum CA, Bedford MT, James LI, Kireev DB, Frye SV.

Biochemistry. 2018 Apr 10;57(14):2140-2149. doi: 10.1021/acs.biochem.8b00150. Epub 2018 Mar 28. Erratum in: Biochemistry. 2018 Dec 11;57(49):6806.

23.

Impacts of hydrous manganese oxide on the retention and lability of dissolved organic matter.

Stuckey JW, Goodwin C, Wang J, Kaplan LA, Vidal-Esquivel P, Beebe TP Jr, Sparks DL.

Geochem Trans. 2018 Feb 13;19(1):6. doi: 10.1186/s12932-018-0051-x.

24.

High-Affinity Peptidomimetic Inhibitors of the DCN1-UBC12 Protein-Protein Interaction.

Zhou H, Zhou W, Zhou B, Liu L, Chern TR, Chinnaswamy K, Lu J, Bernard D, Yang CY, Li S, Wang M, Stuckey J, Sun Y, Wang S.

J Med Chem. 2018 Mar 8;61(5):1934-1950. doi: 10.1021/acs.jmedchem.7b01455. Epub 2018 Feb 26.

PMID:
29438612
25.

The synergistic effect of calcium on organic carbon sequestration to ferrihydrite.

Sowers TD, Stuckey JW, Sparks DL.

Geochem Trans. 2018 Feb 3;19(1):4. doi: 10.1186/s12932-018-0049-4.

26.

Advances in Scanning Transmission X-Ray Microscopy for Elucidating Soil Biogeochemical Processes at the Submicron Scale.

Stuckey JW, Yang J, Wang J, Sparks DL.

J Environ Qual. 2017 Nov;46(6):1166-1174. doi: 10.2134/jeq2016.10.0399. Review.

PMID:
29293846
27.

Design of the First-in-Class, Highly Potent Irreversible Inhibitor Targeting the Menin-MLL Protein-Protein Interaction.

Xu S, Aguilar A, Xu T, Zheng K, Huang L, Stuckey J, Chinnaswamy K, Bernard D, Fernández-Salas E, Liu L, Wang M, McEachern D, Przybranowski S, Foster C, Wang S.

Angew Chem Int Ed Engl. 2018 Feb 5;57(6):1601-1605. doi: 10.1002/anie.201711828. Epub 2018 Jan 15.

28.

Probing the interaction between the histone methyltransferase/deacetylase subunit RBBP4/7 and the transcription factor BCL11A in epigenetic complexes.

Moody RR, Lo MC, Meagher JL, Lin CC, Stevers NO, Tinsley SL, Jung I, Matvekas A, Stuckey JA, Sun D.

J Biol Chem. 2018 Feb 9;293(6):2125-2136. doi: 10.1074/jbc.M117.811463. Epub 2017 Dec 20.

29.

A potent small-molecule inhibitor of the DCN1-UBC12 interaction that selectively blocks cullin 3 neddylation.

Zhou H, Lu J, Liu L, Bernard D, Yang CY, Fernandez-Salas E, Chinnaswamy K, Layton S, Stuckey J, Yu Q, Zhou W, Pan Z, Sun Y, Wang S.

Nat Commun. 2017 Oct 27;8(1):1150. doi: 10.1038/s41467-017-01243-7.

30.

Microsecond Dynamics and Network Analysis of the HIV-1 SOSIP Env Trimer Reveal Collective Behavior and Conserved Microdomains of the Glycan Shield.

Lemmin T, Soto C, Stuckey J, Kwong PD.

Structure. 2017 Oct 3;25(10):1631-1639.e2. doi: 10.1016/j.str.2017.07.018. Epub 2017 Sep 7.

31.

Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction.

Karatas H, Li Y, Liu L, Ji J, Lee S, Chen Y, Yang J, Huang L, Bernard D, Xu J, Townsend EC, Cao F, Ran X, Li X, Wen B, Sun D, Stuckey JA, Lei M, Dou Y, Wang S.

J Med Chem. 2017 Jun 22;60(12):4818-4839. doi: 10.1021/acs.jmedchem.6b01796. Epub 2017 Jun 12.

PMID:
28603984
32.

Sea Level Rise Induced Arsenic Release from Historically Contaminated Coastal Soils.

LeMonte JJ, Stuckey JW, Sanchez JZ, Tappero R, Rinklebe J, Sparks DL.

Environ Sci Technol. 2017 Jun 6;51(11):5913-5922. doi: 10.1021/acs.est.6b06152. Epub 2017 May 16.

PMID:
28472587
33.

Structure-Based Discovery of 4-(6-Methoxy-2-methyl-4-(quinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethylisoxazole (CD161) as a Potent and Orally Bioavailable BET Bromodomain Inhibitor.

Zhao Y, Bai L, Liu L, McEachern D, Stuckey JA, Meagher JL, Yang CY, Ran X, Zhou B, Hu Y, Li X, Wen B, Zhao T, Li S, Sun D, Wang S.

J Med Chem. 2017 May 11;60(9):3887-3901. doi: 10.1021/acs.jmedchem.7b00193. Epub 2017 May 2.

PMID:
28463487
34.

d-Cysteine Ligands Control Metal Geometries within De Novo Designed Three-Stranded Coiled Coils.

Ruckthong L, Peacock AFA, Pascoe CE, Hemmingsen L, Stuckey JA, Pecoraro VL.

Chemistry. 2017 Jun 16;23(34):8232-8243. doi: 10.1002/chem.201700660. Epub 2017 May 26.

35.

Targeted Degradation of BET Proteins in Triple-Negative Breast Cancer.

Bai L, Zhou B, Yang CY, Ji J, McEachern D, Przybranowski S, Jiang H, Hu J, Xu F, Zhao Y, Liu L, Fernandez-Salas E, Xu J, Dou Y, Wen B, Sun D, Meagher J, Stuckey J, Hayes DF, Li S, Ellis MJ, Wang S.

Cancer Res. 2017 May 1;77(9):2476-2487. doi: 10.1158/0008-5472.CAN-16-2622. Epub 2017 Feb 16.

36.

Discovery of Peptidomimetic Ligands of EED as Allosteric Inhibitors of PRC2.

Barnash KD, The J, Norris-Drouin JL, Cholensky SH, Worley BM, Li F, Stuckey JI, Brown PJ, Vedadi M, Arrowsmith CH, Frye SV, James LI.

ACS Comb Sci. 2017 Mar 13;19(3):161-172. doi: 10.1021/acscombsci.6b00174. Epub 2017 Feb 22.

37.

Buried Hydrogen Bond Interactions Contribute to the High Potency of Complement Factor D Inhibitors.

Yang CY, Phillips JG, Stuckey JA, Bai L, Sun H, Delproposto J, Brown WC, Chinnaswamy K.

ACS Med Chem Lett. 2016 Sep 13;7(12):1092-1096. eCollection 2016 Dec 8.

38.

Molecular Mechanism for Isoform-Selective Inhibition of Acyl Protein Thioesterases 1 and 2 (APT1 and APT2).

Won SJ, Davda D, Labby KJ, Hwang SY, Pricer R, Majmudar JD, Armacost KA, Rodriguez LA, Rodriguez CL, Chong FS, Torossian KA, Palakurthi J, Hur ES, Meagher JL, Brooks CL 3rd, Stuckey JA, Martin BR.

ACS Chem Biol. 2016 Dec 16;11(12):3374-3382. Epub 2016 Oct 31.

39.

D3R grand challenge 2015: Evaluation of protein-ligand pose and affinity predictions.

Gathiaka S, Liu S, Chiu M, Yang H, Stuckey JA, Kang YN, Delproposto J, Kubish G, Dunbar JB Jr, Carlson HA, Burley SK, Walters WP, Amaro RE, Feher VA, Gilson MK.

J Comput Aided Mol Des. 2016 Sep;30(9):651-668. Epub 2016 Sep 30.

40.

Mechanistic evaluation and transcriptional signature of a glutathione S-transferase omega 1 inhibitor.

Ramkumar K, Samanta S, Kyani A, Yang S, Tamura S, Ziemke E, Stuckey JA, Li S, Chinnaswamy K, Otake H, Debnath B, Yarovenko V, Sebolt-Leopold JS, Ljungman M, Neamati N.

Nat Commun. 2016 Oct 5;7:13084. doi: 10.1038/ncomms13084.

41.

Methods for Solving Highly Symmetric De Novo Designed Metalloproteins: Crystallographic Examination of a Novel Three-Stranded Coiled-Coil Structure Containing d-Amino Acids.

Ruckthong L, Stuckey JA, Pecoraro VL.

Methods Enzymol. 2016;580:135-48. doi: 10.1016/bs.mie.2016.05.007. Epub 2016 Jun 23.

42.

Structure-Activity Relationships and Kinetic Studies of Peptidic Antagonists of CBX Chromodomains.

Stuckey JI, Simpson C, Norris-Drouin JL, Cholensky SH, Lee J, Pasca R, Cheng N, Dickson BM, Pearce KH, Frye SV, James LI.

J Med Chem. 2016 Oct 13;59(19):8913-8923. Epub 2016 Sep 19.

43.

High-resolution crystal structures of Colocasia esculenta tarin lectin.

Pereira PR, Meagher JL, Winter HC, Goldstein IJ, Paschoalin VM, Silva JT, Stuckey JA.

Glycobiology. 2017 Jan;27(1):50-56. doi: 10.1093/glycob/cww083. Epub 2016 Aug 24.

PMID:
27558840
44.

A Crystallographic Examination of Predisposition versus Preorganization in de Novo Designed Metalloproteins.

Ruckthong L, Zastrow ML, Stuckey JA, Pecoraro VL.

J Am Chem Soc. 2016 Sep 14;138(36):11979-88. doi: 10.1021/jacs.6b07165. Epub 2016 Sep 2.

45.

Chromodomain Ligand Optimization via Target-Class Directed Combinatorial Repurposing.

Barnash KD, Lamb KN, Stuckey JI, Norris JL, Cholensky SH, Kireev DB, Frye SV, James LI.

ACS Chem Biol. 2016 Sep 16;11(9):2475-83. doi: 10.1021/acschembio.6b00415. Epub 2016 Jul 14.

46.

CSAR 2014: A Benchmark Exercise Using Unpublished Data from Pharma.

Carlson HA, Smith RD, Damm-Ganamet KL, Stuckey JA, Ahmed A, Convery MA, Somers DO, Kranz M, Elkins PA, Cui G, Peishoff CE, Lambert MH, Dunbar JB Jr.

J Chem Inf Model. 2016 Jun 27;56(6):1063-77. doi: 10.1021/acs.jcim.5b00523. Epub 2016 May 17.

47.

Conformation-Selective Analogues of Dasatinib Reveal Insight into Kinase Inhibitor Binding and Selectivity.

Kwarcinski FE, Brandvold KR, Phadke S, Beleh OM, Johnson TK, Meagher JL, Seeliger MA, Stuckey JA, Soellner MB.

ACS Chem Biol. 2016 May 20;11(5):1296-304. doi: 10.1021/acschembio.5b01018. Epub 2016 Mar 1.

PMID:
26895387
48.

KRAS Engages AGO2 to Enhance Cellular Transformation.

Shankar S, Pitchiaya S, Malik R, Kothari V, Hosono Y, Yocum AK, Gundlapalli H, White Y, Firestone A, Cao X, Dhanasekaran SM, Stuckey JA, Bollag G, Shannon K, Walter NG, Kumar-Sinha C, Chinnaiyan AM.

Cell Rep. 2016 Feb 16;14(6):1448-1461. doi: 10.1016/j.celrep.2016.01.034. Epub 2016 Feb 4.

49.

A cellular chemical probe targeting the chromodomains of Polycomb repressive complex 1.

Stuckey JI, Dickson BM, Cheng N, Liu Y, Norris JL, Cholensky SH, Tempel W, Qin S, Huber KG, Sagum C, Black K, Li F, Huang XP, Roth BL, Baughman BM, Senisterra G, Pattenden SG, Vedadi M, Brown PJ, Bedford MT, Min J, Arrowsmith CH, James LI, Frye SV.

Nat Chem Biol. 2016 Mar;12(3):180-7. doi: 10.1038/nchembio.2007. Epub 2016 Jan 25.

50.

Conformational Sampling and Binding Site Assessment of Suppression of Tumorigenicity 2 Ectodomain.

Yang CY, Delproposto J, Chinnaswamy K, Brown WC, Wang S, Stuckey JA, Wang X.

PLoS One. 2016 Jan 6;11(1):e0146522. doi: 10.1371/journal.pone.0146522. eCollection 2016.

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