Recent Publications (2014-2018)

Madak JT, Cuthbertson CR, Miyata Y, Tamura S, Petrunak EM, Stuckey JA, Han Y, He M, Sun D, Showalter HD, Neamati N. Design, Synthesis, and Biological Evaluation of 4-Quinoline Carboxylic Acids as Inhibitors of Dihydroorotate Dehydrogenase. J Med Chem 2018 Jun 28 61(12):5162-5186. doi: 10.1021/acs.jmedchem.7b01862. Epub 2018 May 14.
Moody RR, Lo MC, Meagher JL, Lin CC, Stevers NO, Tinsley SL, Jung I, Matvekas A, Stuckey JA, Sun D. Probing the interaction between the histone methyltransferase/deacetylase subunit RBBP4/7 and the transcription factor BCL11A in epigenetic complexes. J Biol Chem 2018 Feb 9 293(6):2125-2136. doi: 10.1074/jbc.M117.811463. Epub 2017 Dec 20. PMID:29263092.
Skiba MA, Maloney FP, Dan Q, Fraley AE, Aldrich CC, Smith JL, Brown WC. PKS-NRPS Enzymology and Structural Biology: Considerations in Protein Production. Methods Enzymol 2018 604:45-88. doi: 10.1016/bs.mie.2018.01.035. Epub 2018 Mar 16.
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. Design of the First-in-Class, Highly Potent Irreversible Inhibitor Targeting the Menin-MLL Protein-Protein Interaction. Angew Chem Int Ed Engl 2018 Feb 5 57(6):1601-1605. doi: 10.1002/anie.201711828. Epub 2018 Jan 15.
Yang Y, Bu W, Im S, Meagher J, Stuckey J, Waskell L. Structure of cytochrome P450 2B4 with an acetate ligand and an active site hydrogen bond network similar to oxyferrous P450cam. J Inorg Biochem 2018 Aug 185:17-25. doi: 10.1016/j.jinorgbio.2018.04.015. Epub 2018 Apr 30.


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. High-Affinity Peptidomimetic Inhibitors of the DCN1-UBC12 Protein-Protein Interaction. J Med Chem. 2018 Mar 8;61(5):1934-1950.PMID: 29438612



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 JL, Stuckey J, Hayes DF, Li S, Ellis MJ, Wang S. Targeted degradation of BET proteins in triple-negative breast cancer. Cancer Research 2017 [Epub ahead of print] DOI: 10.1158/0008-5472.CAN-16-2622.
Bohn JA, Thummar K, York A, Raymond A, Brown WC, Bieniasz PD, Hatziioannou T, Smith JL. APOBEC3H structure reveals an unusual mechanism of interaction with duplex RNA. Nature Communications 2017 8:1(1021). Doi: 10.1038/s41467-017-01309-
Burrer CM, Auburn H, Wang X, Luo J, Abulwerdi FA, Nikolovska-Coleska Z, Chan GC. Mcl-1 small-molecule inhibitors encapsulated into nanoparticles exhibit increased killing efficacy towards HCMV-infected monocytes. Antiviral Research 2017 138:40-46. DOI: 10.1016/j.antiviral.2016.11.027
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. 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.  J Med Chem. 2017 Jun 22;60(12):4818-4839. doi: 10.1021/acs.jmedchem.6b01796. Epub 2017 Jun 12.
Lopera-Madrid J, Osorio JE, He Y, Xiang Z, Adams LG, Laughlin RC, Mwangi W, Subramanya S, Neilan J, Brake D, Burrage TG, Brown WC, Clavijo A, Bounpheng MA. Safety and immunogenicity of mammalian cell derived and Modified Vaccinia Ankara vectored African swine fever subunit antigens in swine. Veterinary Immunology and Immunopathology 2017 185:20-33. DOI: 10.1016/j.vetimm.2017.01.004
Moody RR, Lo MC, Meagher JL, Lin CC, Stevers NO, Tinsley SL, Jung I, Matvekas A, Stuckey JA, Sun D. Probing the interaction between the histone methyltransferase/ deacetylase subunit RBBP4/7 and the transcription factor BCL11A in epigenetic complexes. J Biol Chem. 2017 Dec 20. pii: jbc.M117.811463. doi: 10.1074/jbc.M117.811463. [Epub ahead of print]. PMID:29263092.
Pecoraro VL, Ruckthong L, Peacock AF, Pascoe CE, Hemmingsen L, Stuckey JA. D-Cysteine Ligands Control Metal Geometries within de Novo Designed Three-Stranded Coiled Coils. Chemistry 2017 DOI: 10.1002/chem.201700660 [Epub ahead of print]
Pereira PR, Meagher JL, Winter HC, Goldstein IJ, Paschoalin VMF, Silva JT, Stuckey JA. High-resolution crystal structures of Colocasia esculenta tarin lectin. Glycobiology 2017 1:50-56. DOI: 10.1093/glycob/cww083
Sathiyamoorthy K, Vijayalakshmi J, Tirupati B, Fan L, and Saper MA. Structural analyses of the Haemophilus influenzae peptidoglycan synthase activator LpoA suggest multiple conformations in solution. J Biol Chem 2017 292:17626–17642. doi:10.1074/jbc.M117.804997

Ruckthong L, Peacock AFA, Pascoe CE, Hemmingsen L, Stuckey JA, Pecoraro VL. D-Cysteine Ligands Control Metal Geometries within de Novo Designed Three-Stranded Coiled Coils. Chemistry. 2017 Jun 16;23(34):8232-8243. doi: 10.1002/chem.201700660. Epub 2017 May 26. PMID:28384393; PMCID:PMC5518473

Sathiyamoorthy K, Vijayalakshmi J, Tirupati B,  Fan L, and Saper MA. Structural analyses of the Haemophilus influenzae peptidoglycan synthase activator LpoA suggest multiple conformations in solution. J Biol Chem 2017 292: 17626–17642. doi:10.1074/jbc.M117.804997
Souza CD, Bannantine JP, Brown WC, Norton MG, Davis WC, Hwang JK, Ziaei P, Abdellrazeq GS, Eren MV, Deringer JR, Laws E, Cardieri MCD. A nano particle vector comprised of poly lactic-co-glycolic acid and monophosphoryl lipid A and recombinant Mycobacterium avium subsp paratuberculosis peptides stimulate a pro-immune profile in bovine macrophages. J Appl Microbiol 2017. doi: 10.1111/jam.13491
Tong J, Wang P, Tan S, Chen D, Nikolovska-Coleska Z, Zou F, Yu J, Zhang L. Mcl-1 degradation is required for targeted therapeutics to eradicate colon cancer cells. Cancer Research 2017 77(9): 2512-2521. DOI: 10.1158/0008-5472.CAN-16-3242
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. Design of the First-in-Class, Highly Potent Irreversible Inhibitor Targeting the Menin-MLL Protein-Protein Interaction. Angew Chem Int Ed Engl. 2017 Dec 28. doi: 10.1002/anie.201711828. [Epub ahead of print]
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. 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. J Med Chem 2017 60(9):3887-3901. doi: 10.1021/acs.jmedchem.7b00193. Epub 2017 May 2.
Zhou B, Hu J, Xu F, Chen Z, Bai L, Fernandez-Salas E, Lin M, Liu L, Yang CY, Zhao Y, McEachern D, Przybranowski S, Wen B, Sun D, Wang S. Discovery of a Small-Molecule Degrader of Bromodomain and Extra-Terminal (BET) Proteins with Picomolar Cellular Potencies and Capable of Achieving Tumor Regression. J Med Chem 2017. DOI: 10.1021/acs.jmedchem.6b01816. [Epub ahead of print]
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,4, Wang S. A potent small-molecule inhibitor of the DCN1-UBC12 interaction that selectively blocks cullin 3 neddylation. Nat Commun. 2017 Oct 27 8(1):1150. doi: 10.1038/s41467-017-01243-7.


Akey DL, Terwilliger TC, Smith JL. Efficient merging of data from multiple samples for determination of anomalous substructure. Acta Crystallographica Section D: Structural Biology 2016 73(3): 296-302. DOI: 10.1107/S2059798315021920

Aslam MN, Jepsen KJ, Khoury B, Graf KH, Varani J. Bone structure and function in male C57BL/6 mice: Effects of a high-fat Western-style diet with or without trace minerals. Bone Reports 2016 Dec 5:141-149. Doi: 10.1016/j.bonr.2016.05.002

Bergom C, Hauser AD, Rymaszewski A, Gonyo P, Prokop JW, Jennings BC, Lawton AJ, Frei A, Lorimer EL, Aguilera-Barrantes I, Mackinnon AC, Noon K, Fierke CA, Williams CL. The tumor-suppressive small GTPase DiRas1 binds the noncanonical guanine nucleotide exchange factor SmgGDS and antagonizes SmgGDS interactions with oncogenic small GTPases. Journal of Biological Chemistry 2016 March 291(12): 6534 -6545. doi: 10.1074/jbc.M115.696831
Boeras I, Song Z, Moran A. Franklin J, Brown WC, Johnson M, Boris-Lawrie K, Heng X. DHX9/RHA binding to the PBS-segment of the genomic RNA during HIV-1 assembly bolsters virion infectivity. J Mol Biol 2016 June 428(11) 2418-2429.
Borkin D, Pollock J, Kempinska K, Purohit T, Li X, Wen B, Zhao T, Miao H, Shukla S, He M, Sun D, Cierpicki T, Grembecka J. Property Focused Structure-Based Optimization of Small Molecule Inhibitors of the Protein-Protein Interaction between Menin and Mixed Lineage Leukemia (MLL). J Med Chem 2016 Aug 59(3):892-913. doi: 10.1021/acs.jmedchem.5b01305

Brown WC, Akey DL, Konwerski JR, Tarrasch JT, Skiniotis G, Kuhn RJ, Smith JL. Extended surface for membrane association in Zika virus NS1 structure. Nature Structural and Molecular Biology 2016 23(9):865-867. DOI: 10.1038/nsmb.3268

Cardenas MG, Yu W, Beguelin W, Teater MR, Geng H, Goldstein RL, Oswald E, Hatzi K, Yang SN, Cohen J, Shaknovich R, Vanommeslaeghe K, Cheng H, Liang D, Cho HJ, Abbott J, Tam W, Du W, Leonard JP, Elemento O, Cerchietti L, Cierpicki T, Xue F, MacKerell AD Jr, Melnick AM. Rationally designed BCL6 inhibitors target activated B cell diffuse large B cell lymphoma. J Clin Invest 2016 Aug. Epub ahead of print. doi: 10.1172/JCI85795. PMID: 27482887.
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. CSAR 2014: A Benchmark Exercise Using Unpublished Data from Pharma. Journal of Chemical Information and Modeling 2016 June 56(6) 1063-1077. doi 10.1021/acs.jcim.5b00523

Carpenter C, Sorenson RJ, Jin Y, Klossowski S, Cierpicki T, Gnegy M, Showalter HD. Design and synthesis of triarylacrylonitrile analogues of tamoxifen with improved binding selectivity to protein kinase C. Bioorganical and Medicinal Chemistry 2016 24(21):5495-5504.

Cash JN, Davis EM, Tesmer JJG. Structural and Biochemical Characterization of the Catalytic Core of the Metastatic Factor P-Rex1 and Its Regulation by PtdIns(3,4,5)P3. Structure 2016 May 24(5)730-740. Doi: 10.1016/j.str.2016.02.022
Demars MD, Sheng F, Park SR, Lowell AN, Podust LM, Sherman DH. Biochemical and Structural Characterization of MycCI, a Versatile P450 Biocatalyst from the Mycinamicin Biosynthetic Pathway. ACS Chemical Biology 2016 11(9) 2642-2654.
Fick RJ, Kroner GM, Nepal B, Magnani R, Horowitz S, Houtz RL, Scheiner S, Trievel RC. Sulfur-Oxygen Chalcogen Bonding Mediates AdoMet Recognition in the Lysine Methyltransferase SET7/9. ACS Chemical Biology 2016 11(3):748-754.
Fiers WD, Dodge GJ, Sherman DH, Smith JL, Aldrich CC. Vinylogous dehydration by a polyketide dehydratase domain in curacin biosynthesis. J Am Chem Soc 2016 138(49):16024-16036.

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. D3R grand challenge fo 2015: Evaluation of protein-ligand pose and affinity predictions. Journal of Computer-Aided Molecular Design 2016 Sept 1 30(9)651-668.


Gray F, Cho HJ, Shukla S, He S, Harris A, Boytsov B, Jaremko A, Jarermko M, Demeler B, Lawlor ER, Grembecka J, Cierpicki T. BMI1 regulates PRC1 architecture and activity through homo- and hetero-oligomerization. Nature Communications 2016 7:13343.

Horowitz S, Salmon L, Koldewey P, Ahlstrom LS, Martin R, Quan S, Afonine PV, Van Den Bedem H, Wang L, Xu Q, Trievel RC, Brooks CL III, Bardwell JCA. Visualizing chaperone-assisted protein folding. Nature Structural and Molecular Biology2016 July 23(7):691-97. doi: 10.1038/nsmb.3237
Koss B, Ryan J, Budhraja A, Szarama K, Yang X, Bathina M, Cardone MH, Nikolovska-Coleska Z, Letai A, Opferman JT. Defining specificity and on-target activity of BH3-mimetics using engineered B-ALL cell lines.Oncotarget. 2016 7(10):11500-11. doi: 10.18632/oncotarget.7204.
Kwarcinski FE, Brandvold KR, Phadke S, Beleh OM, Johnson TK, Meagher JL, Seeliger MA, Stuckey JA, Soellner MB. Conformation-selective analogs of dasatinib reveal insight into kinase inhibitor binding and selectivity. ACS Chem Biol 2016 Feb 19 11(5) 1296- 1304. Doi: 10.1021/acschembio.5b01018
Lorenz DA, Garner AL. A click chemistry-based microRNA maturation assay optimized for high-throughput screening. Chemical Communications 2016 52(53): 8267- 8270. doi: 10.1039/c6cc02894b

Maloney FP, Gerwick L, Gerwick WH, Sherman DH, Smith JL. Anatomy of the β-branching enzyme of polyketide biosynthesis and its interaction with an acyl-ACP substrate. Proceedings of the National Academy of Sciences of the United States of America 2016 113(37):10316-10321.

Newmister SA, Gober CM, Romminger S, Yu F, Tripathi A, Parra LLL, Williams RM, Berlinck RGS, Joullie MM, Sherman DH. OxaD: A Versatile Indolic Nitrone Synthase from the Marine-Derived Fungus Penicillium oxalicum F30. Journal of the American Chemical Society 2016 138(35):1176-1184.

Park SR, Tripathi A, Wu J, Schultz PJ, Yim I, McQuade TJ, Yu F, Arevang CJ, Mensah AY, Tamayo-Castillo G, Xi C, Sherman DH. Discovery of cahuitamycins as biofilm inhibitors derived from a convergent biosynthetic pathway. Nature Communications 2016 Feb 7(10710). doi: 10.1038/ncomms10710
Pereira PR, Meagher JL, Winter HC, Goldstein IJ, Paschoalin VM, Silva JT, Stuckey JA. High-resolution crystal structures of Colocasia esculenta tarin lectin. Glycobiology 2016 Aug 24. pii: cww083. [Epub ahead of print]
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. Mechanistic evaluation and transcriptional signature of a glutathione S-transferase omega 1 inhibitor. Nat Commun 2016 Oct 5 7:13084.
Ruckthong L, Stuckey JA, Pecoraro VL. Methods for Solving Highly Symmetric De Novo Designed Metalloproteins: Crystallographic Examination of a Novel Three-Stranded Coiled-Coil Structure Containing d-Amino Acids. Methods Enzymol. 2016;580:135-48. doi: 10.1016/bs.mie.2016.05.007. Epub 2016 Jun 23.

Ruckthong L, Zastrow ML, Stuckey JA, Pecoraro VL.  A Crystallographic Examination of Predisposition versus Preorganization in de Novo Designed Metalloproteins. J Am Chem Soc 2016 Sep 2. [Epub ahead of print]

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. KRAS Engages AGO2 to Enhance Cellular Transformation. Cell Rep 2016 Feb 16 14(6):1448-61.

Skiba M, Sikkema A, Fiers W, Gerwick WH, Sherman DH, Aldrich CC, Smith JL. Domain organization and active site architecture of a polyketide synthase C-methyltransferase. ACS Chem Biol 2016 11(12):3319-3327.

Stull FW, Bernard, SM, Sapra A, Smith JL, Zuiderweg ERP, Palfey BA. Deprotonations in the Reaction of Flavin-Dependent Thymidylate Synthase. Biochemistry 2016 55(23):3261.

Tai AW, Vidugiriene J. Measuring activity of phosphoinositide lipid kinases using a bioluminescent ADP-Detecting assay. Methods in Molecular Biology 2016 1360:75-85. Doi: 10.1007/978-1-4939-3073-9_6
Tauzin AS, Kwiatkowski KJ, Orlovsky NI, Smith CJ, Creagh AL, Haynes CA, Wawrzak Z, Brumer H, Koropatkin NM. Molecular dissection of xyloglucan recognition in a prominent human gut symbiont. mBio 2016 April 7(2): e02134-15. doi: 10.1128/mBio.02134-15.
Taylor VG, Bommarito PA, Tesmer JJG. Structure of the regulator of G protein signaling 8 (RGS8)-Gë±q complex: Molecular basis for Gë± selectivity. Journal of Biological Chemistry 2016 March 291(10): 5138-5145.

Terwilliger TC, Bunkozi G, Hung L-W, Zwart PH, Smith JL, Akey DL, Adams PD.Can I solve my structure by SAD phasing? Anomalous signal in SAD phasing. Acta Crystallographica Section D: Structural Biology 2016 72(3):346-358. DOI: 10.1107/S2059798315019269

Tesmer JJG. Crystallographic pursuit of a protein-RNA aptamer complex. Methods in Molecular Biology 2016 1380:151-160. Doi: 10.1007/978-1-4939-3197-2_12
Tesmer JJG. Hitchhiking on the heptahelical highway: Structure and function of 7TM receptor complexes. Nature Reviews Molecular Cell Biology 2016 July 17(7):439-450. Doi: 10.1038/nrm.2016.36
Tripathi A, Choi SS, Sherman DH, Kim ES. Thioesterase domain swapping of a linear polyketide tautomycetin with a macrocyclic polyketide pikromycin in Streptomyces sp. CK4412. Journal of Industrial Microbiology and Biotechnology 2016 August 43(8):1189 – 1193. Doi: 10.1007/s10295-016-1790-2
Waldschmidt HV, Homan KT, Cruz-Rodríguez O, Cato MC, Waninger-Saroni J, Larimore KM, Cannavo A, Song J, Cheung JY, Kirchhoff PD, Koch WJ, Tesmer JJG, Larsen SD. Structure-Based Design, Synthesis, and Biological Evaluation of Highly Selective and Potent G Protein-Coupled Receptor Kinase 2 Inhibitors. Journal of Medicinal Chemistry 2016 59(8):3793-3807. DOI: 10.1021/acs.jmedchem.5b02000

Wang Y, Virtanen J,  Xue Z, Tesmer JJG,  Zhang Y. Using iterative fragment assembly and progressive sequence truncation to facilitate phasing and crystal structure determination of distantly related proteins. Acta Crystallographica Section D 2016 72:616-628.

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. Molecular Mechanism for Isoform-Selective Inhibition of Acyl Protein Thioesterases 1 and 2 (APT1 and APT2). ACS Chem Biol 2016 Dec 16 11(12):3374-3382. Epub 2016 Oct 31.
Wijeyesakere SJ, Bedi SK, Huynh D, Raghavan M. The C-terminal acidic region of calreticulin mediates phosphatidylserine binding and apoptotic cell phagocytosis. Journal of Immunology 2016 May 196(9):3896-3909. doi: 10.4049/jimmunol.1502122
Yang C-Y, Delproposto J, Chinnaswamy K, Brown WC, Wang S, Stuckey JA, Wang X. Conformational Sampling and Binding Site Assessment of Suppression of Tumorigenicity 2 Ectodomain. PLoS One 2016 Jan 6 11(1):e0146522. doi: 10.1371/journal.pone.0146522. eCollection 2016. PubMed PMID: 26735493; PubMed Central PMCID: PMC4703388.
Yang C-Y, Phillips JG, Stuckey JA, Bai L, Sun Haiying, Delproposto J, Brown WC, Chinnaswamy K. Buried Hydrogen Bond Interactions Contribute to the High Potency of Complement Factor D Inhibitors. ACS Med Chem Letter 2016 Sept 14.
Akey DL, Brown WC, Jose J, Kuhn RJ, Smith JL. Structure-guided insights on the role of NS1 in flavivirus infection. Bioessays 2015 May 37(5):489-94. doi: 10.1002/bies.201400182. Epub 2015 Mar 11. PubMed PMID: 25761098; PubMed Central PMCID: PMC4409125.
Almutairi MM, Park SR, Rose S, Hansen DA, Vazquez-Laslop N, Douthwaite S, Sherman DH, Mankin AS. Resistance to ketolide antibiotics by coordinated expression of rRNA methyltransferases in a bacterial producer of natural ketolides. Proceedings of the National Academy of Sciences of the United States of America 2015 October 112(42): 12956-12961. Doi: 10.1073/pnas.1512090112
Bernard SM, Akey DL, Tripathi A, Park SR, Konwerski JR, Anzai Y, Li S, Kato F, Sherman DH, Smith JL. Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases. ACS Chem Biol 2015 Feb 26 [Epub ahead of print] PubMed PMID: 25692963.
Borkin D, He S, Miao H, Kempinska K, Pollock J, Chase J, Purohit T, Malik B, Zhao T, Wang J, Wen B, Zong H, Jones M, Danet-Desnoyers G, Guzman ML, Talpaz M, Bixby DL, Sun D, Hess JL, Muntean AG, Maillard I, Cierpicki T, Grembecka J. Pharmacologic inhibition of the menin-MLL interaction blocks progression of MLL leukemia in vivo. Cancer Cell 2015 13:589-602.
Caldara-Festin G, Jackson DR, Barajas JF, Valentic TR, Patel AB, Aguilar S, Nguyen M, Vo M, Khanna A, Sasaki E, Liu H-W, Tsai S-C, Smith JL. Structural and functional analysis of two di-domain aromatase/cyclases from type II polyketide synthases. Proceedings of the National Academy of Sciences of the United States of America 2015 Dec 112(50):E6844- E6851. Doi: 10.1073/pnas.1512976112
Bowman BM, Sebolt KA, Hoff BA, Boes JL, Daniels DL, Heist KA, Galbán CJ, Patel RM, Zhang J, Beer DG, Ross BD, Rehemtulla A, Galbán, S. Phospohorylation of FADD by the kinase CK1α promotes KRAS G12D induced lung cancer. Science Signaling 2015 Jan 27 8(361).
Chemler JA, Tripathi A, Hansen DA, O'Neil-Johnson M, Williams RB, Starks C, Park SR, Sherman DH. Evolution of Efficient Modular Polyketide Synthases by Homologous Recombination. Journal of the American Chemical Society 2015 July 137(33):10603-10609. doi: 10.1021/jacs.5b04842
Cojohari O, Burrer CM, Peppenelli MA, Abulwerdi FA, Nikolovska-Coleska Z, Chan GC. BH3 Profiling Reveals Selectivity by Herpesviruses for Specific Bcl-2 Proteins To Mediate Survival of Latently Infected Cells. J Virol 2015 May 15 89(10):5739-46. doi: 10.1128/JVI.00236-15. Epub 2015 Mar 4. PubMed PMID: 25740993.
Emanuele AA, Garcia GA. Mechanism of Action and Initial, In Vitro SAR of an Inhibitor of the Shigella flexneri Virulence Regulator VirF. PLoS One 2015 Sep 9. doi: 10.1371/journal.pone.0137410. eCollection 2015. PubMed PMID: 26352269; PubMed Central PMCID: PMC4564171.
Glukhova A, Hinkovska-Galcheva V, Kelly R, Abe A, Shayman JA, Tesmer JJ. Structure and function of lysosomal phospholipase A2 and lecithin:cholesterol acyltransferase. Nature Communications 2015 Mar 2 6:6250. doi: 10.1038/ncomms7250. PubMed PMID: 25727495; PubMed Central PMCID: PMC4397983.
Gray MJ, Li Y, Leichert LI, Xu Z, Jakob U. Does the transcription factor NemR use a regulatory sulfenamide bond to sense bleach? Antioxid Redox Signal 2015 Apr 13 [Epub ahead of print] PubMed PMID: 25867078.
Guo EZ, Xu Z. Distinct Mechanisms of Recognizing Endosomal Sorting Complex Required for Transport III (ESCRT-III) Protein IST1 by Different Microtubule Interacting and Trafficking (MIT) Domains. J Biol Chem 2015 Mar 27 290(13):8396-408. doi: 10.1074/jbc.M114.607903. Epub 2015 Feb 5. PubMed PMID: 25657007; PubMed Central PMCID: PMC4375492.
Hansen DA, Koch AA, Sherman DH. Substrate controlled divergence in polyketide synthase catalysis. Journal of the American Chemical Society 2015 March 137(11): 3735-3738. Doi: 10.1021/ja511743n
Homan KT, Larimore KM, Elkins JM, Szklarz M, Knapp S, Tesmer JJ. Identification and structure-function analysis of subfamily selective g protein-coupled receptor kinase inhibitors. ACS Chem Biol 2015 Jan 16 10(1):310-9. doi: 10.1021/cb5006323. Epub 2014 Oct 3. PubMed PMID: 25238254; PubMed Central PMCID: PMC4301037.
Homan KT, Waldschmidt HV, Glukhova A, Cannavo A, Song J, Cheung JY, Koch WJ, Larsen SD, Tesmer JJ. Crystal Structure of G Protein-coupled Receptor Kinase 5 in Complex with a Rationally Designed Inhibitor. J Biol Chem 2015 Aug 21 290(34):20649-59. doi:10.1074/jbc.M115.647370. Epub 2015 Jun 1. PubMed PMID:26032411; PubMed Central PMCID: PMC4543626.
Karatas H, Lee SY, Townsend EC, Cao F, Xu J, Bernard D, Liu L, Dou Y, Wang S. Structure-based design of conformationally constrained cyclic peptidomimetics to target the MLL1-WDR5 protein-protein interaction as inhibitors of the MLL1 methyltransferase activity. Chinese Chemical Letters 2015 April 26(4):455–58.
Keegan RM, Bibby J, Thomas J, Xu D, Zhang Y, Mayans O, Winn MD, Rigden DJ. Exploring the speed and performance of molecular replacement with AMPLE using QUARK ab initio protein models. Acta Crystallogr D Biol Crystallogr 2015 Feb 71(Pt 2):338-43. doi: 10.1107/S1399004714025784. Epub 2015 Jan 23. PubMed PMID: 25664744; PubMed Central PMCID: PMC4321487.
Khare D, Hale WA, Tripathi A, Gu L, Sherman DH, Gerwick WH, Hansson K, Smith JL. Structural Basis for Cyclopropanation by a Unique Enoyl-Acyl Carrier Protein Reductase. Structure 2015 Dec 23(12):2213- 2223. Doi: 10.1016/j.str.2015.09.013
Li S, Lowell AN, Yu F, Raveh A, Newmister SA, Bair N, Schaub JM, Williams RM, Sherman DH. Hapalindole/Ambiguine Biogenesis Is Mediated by a Cope Rearrangement, C-C Bond-Forming Cascade. Journal of the American Chemical Society. 2015 Dec 137(49) 15366-15369. DOI: 10.1021/jacs.5b10136
Liu L, Bernard D, Wang S. Case Study: Discovery of Inhibitors of the MDM2-p53 Protein-Protein Interaction. Methods Mol Biol 2015 1278:567-85. doi: 10.1007/978-1-4939-2425-7_38. PubMed PMID: 25859977.
Lorenz DA, Song JM, Garner AL. High-throughput platform assay technology for the discovery of pre-microrna-selective small molecule probes. Bioconjug Chem 2015 Jan 21 26(1):19-23.
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