Mohamed, W. I., Park, S. L., Rabl, J., Leitner, A., Boehringer, D., Peter, M. (2021). The human GID complex engages two independent modules for substrate recruitment. EMBO reports, e52981. Advance online publication.
Publications
Cichońska, A., Ravikumar, B., Allaway, R. J., Wan, F., Park, S., Isayev, O., Li, S., Mason, M., Lamb, A., Tanoli, Z., Jeon, M., Kim, S., Popova, M., Capuzzi, S., Zeng, J., Dang, K., Koytiger, G., Kang, J., Wells, C. I., Willson, T. M., … Aittokallio, T. (2021). Crowdsourced mapping of unexplored target space of kinase inhibitors. Nature communications, 12(1), 3307.
Krojer, T., Fraser, J. S., & von Delft, F. (2020). Discovery of allosteric binding sites by crystallographic fragment screening. Current opinion in structural biology, 65, 209–216.
Baker, L., Aimon, A., Murray, J., Surgenor, A., Matassova, N., Roughley, S., ... Hubbard, R. (2020). Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures. Communications Chemistry, 3(1).
Kidd, S., Fowler, E., Reinhardt, T., Compton, T., Mateu, N., Newman, H., ... Spring, D. (2020). Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion. Chemical Science, 11(39), 10792-10801.
Sundström, Y., Shang, M. M., Panda, S. K., Grönwall, C., Wermeling, F., Gunnarsson, I., ... Berg, L. (2020). Identifying novel B-cell targets for chronic inflammatory autoimmune disease by screening of chemical probes in a patient-derived cell assay. Transl Res. S1931-5244(20)30225-5.
Cottone, L., Cribbs, A., Khandelwal, G., Wells, G., Ligammari, L., Philpott, M., ... Flanagan, A. (2020). Inhibition of Histone H3K27 Demethylases Inactivates Brachyury (TBXT) and Promotes Chordoma Cell Death. Cancer Research, 80(20), 4540-4551.
Quevedo, C. E., Bataille, C., Byrne, S., Durbin, M., Elkins, J., Guillermo, A., ... Russell, A. J. (2020). Aminothiazolones as potent, selective and cell active inhibitors of the PIM kinase family. Bioorganic & medicinal chemistry, 28(22), 115724.
Williams, L., McCann, F., Cabrita, M., Layton, T., Cribbs, A., Knezevic, B., ... Nanchahal, J. (2020). Identifying collagen VI as a target of fibrotic diseases regulated by CREBBP/EP300. Proceedings Of The National Academy Of Sciences, 117(34), 20753-20763.
Iyer, V., Jiang, L., Shen, Y., Boddul, S., Panda, S., Kasza, Z., ... Wermeling, F. (2020). Designing custom CRISPR libraries for hypothesis-driven drug target discovery. Computational And Structural Biotechnology Journal, 18, 2237-2246.
Smil, D., Wong, J. F., Williams, E. P., Adamson, R. J., Howarth, A., McLeod, D. A., ... Isaac, M. B. (2020). Leveraging an Open Science Drug Discovery Model to Develop CNS-Penetrant ALK2 Inhibitors for the Treatment of Diffuse Intrinsic Pontine Glioma. Journal of medicinal chemistry, 63(17), 10061–10085.
Buljan, M., Ciuffa, R., van Drogen, A., Vichalkovski, A., Mehnert, M., Rosenberger, G., . . . Gstaiger, M. (2020). Kinase Interaction Network Expands Functional and Disease Roles of Human Kinases. Mol Cell, 79(3), 504-520.e509
Marques, J. G., Gryder, B. E., Pavlovic, B., Chung, Y., Ngo, Q. A., Frommelt, F., . . . Schäfer, B. W. (2020). NuRD subunit CHD4 regulates super-enhancer accessibility in rhabdomyosarcoma and represents a general tumor dependency. Elife, 9.
Marques, J. G., Gryder, B. E., Pavlovic, B., Chung, Y., Ngo, Q. A., Frommelt, F., Gstaiger, M., Song, Y., Benischke, K., Laubscher, D., Wachtel, M., Khan, J., & Schäfer, B. W. (2020). NuRD subunit CHD4 regulates super-enhancer accessibility in rhabdomyosarcoma and represents a general tumor dependency. eLife, 9, e54993.
Kock, A., Bergqvist, F., Steinmetz, J., Elfman, L. H. M., Korotkova, M., Johnsen, J. I., . . . Larsson, K. (2020). Establishment of an in vitro 3D model for neuroblastoma enables preclinical investigation of combined tumor-stroma drug targeting. Faseb j, 34(8), 11101-11114.
Mehnert, M., Ciuffa, R., Frommelt, F., Uliana, F., van Drogen, A., Ruminski, K., . . . Aebersold, R. (2020). Multi-layered proteomic analyses decode compositional and functional effects of cancer mutations on kinase complexes. Nat Commun, 11(1), 3563.
Henderson, S. H., Sorrell, F., Bennett, J., Hanley, M. T., Robinson, S., Hopkins Navratilova, I., ... Ward, S. E. (2020). Mining Public Domain Data to Develop Selective DYRK1A Inhibitors. ACS medicinal chemistry letters, 11(8), 1620–1626.
Chen, Z., Zhang, J., Heilig, R., Sorrell, F., D’Angiolella, V., Fischer, R., ... Bullock, A. N. (2020). Sequence and structural variations determining the recruitment of WNK kinases to the KLHL3 E3 ligase. Cold Spring Harbor Laboratory
Chen, Z., Wasney, G. A., Picaud, S., Filippakopoulos, P., Vedadi, M., D'Angiolella, V., & Bullock, A. N. (2020). Identification of a PGXPP degron motif in dishevelled and structural basis for its binding to the E3 ligase KLHL12. Open biology, 10(6), 200041.
Wells, C. I., Vasta, J. D., Corona, C. R., Wilkinson, J., Zimprich, C. A., Ingold, M. R., ... Robers, M. B. (2020). Quantifying CDK inhibitor selectivity in live cells. Nature communications, 11(1), 2743.
Shen, Y., Li, F., Szewczyk, M. M., Halabelian, L., Park, K. S., Chau, I., Dong, A., ... Jin, J. (2020). Discovery of a First-in-Class Protein Arginine Methyltransferase 6 (PRMT6) Covalent Inhibitor. Journal of medicinal chemistry, 63(10), 5477–5487.
Asquith, C., Tizzard, G. J., Bennett, J. M., Wells, C. I., Elkins, J. M., Willson, T. M., ... Laitinen, T. (2020). Targeting the Water Network in Cyclin G-Associated Kinase (GAK) with 4-Anilino-quin(az)oline Inhibitors. ChemMedChem, 15(13), 1200–1215.
Ensan, D., Smil, D., Zepeda-Velázquez, C. A., Panagopoulos, D., Wong, J. F., Williams, E. P., ... Al-Awar, R. (2020). Targeting ALK2: An Open Science Approach to Developing Therapeutics for the Treatment of Diffuse Intrinsic Pontine Glioma. Journal of medicinal chemistry, 63(9), 4978–4996.
Bergqvist, F., Sundström, Y., Shang, M. M., Gunnarsson, I., Lundberg, I. E., Sundström, M., . . . Berg, L. (2020). Anti-Inflammatory Properties of Chemical Probes in Human Whole Blood: Focus on Prostaglandin E(2) Production. Front Pharmacol, 11, 613
Rödström, K., Kiper, A. K., Zhang, W., Rinné, S., Pike, A., Goldstein, M., ... Carpenter, E. P. (2020). A lower X-gate in TASK channels traps inhibitors within the vestibule. Nature, 582(7812), 443–447.
Caplan, T., Lorente-Macías, Á., Stogios, P., Evdokimova, E., Hyde, S., Wellington, M., ... Cowen L. (2020). Overcoming Fungal Echinocandin Resistance through Inhibition of the Non-essential Stress Kinase Yck2. Cell Chemical Biology.
Fortin, J., Tian, R., Zarrabi, I., Hill, G., Williams, E., Sanchez-Duffhues, G., ... Mak, T. W. (2020). Mutant ACVR1 Arrests Glial Cell Differentiation to Drive Tumorigenesis in Pediatric Gliomas. Cancer cell, 37(3), 308–323.e12.
Emmerich, A. C., Wellstein, J., Ossipova, E., Baumann, I., Lengqvist, J., Kultima, K., . . . Saul, M. J. (2020). Proteomics-Based Characterization of miR-574-5p Decoy to CUGBP1 Suggests Specificity for mPGES-1 Regulation in Human Lung Cancer Cells. Front Pharmacol, 11, 196
Stefaniak, J., & Huber, K. (2020). Importance of Quantifying Drug-Target Engagement in Cells. ACS medicinal chemistry letters, 11(4), 403–406.
Heusel, M., Frank, M., Köhler, M., Amon, S., Frommelt, F., Rosenberger, G., ... Aebersold, R. (2020). A Global Screen for Assembly State Changes of the Mitotic Proteome by SEC-SWATH-MS. Cell Syst, 10(2), 133-155.e136.
Ferla, M. P., Pagnamenta, A. T., Damerell, D., Taylor, J. C., & Marsden, B. D. (2020). MichelaNglo: sculpting protein views on web pages without coding. Bioinformatics (Oxford, England), 36(10), 3268–3270.
Panda, S., Wigerblad, G., Jiang, L., Jiménez-Andrade, Y., Iyer, V., Shen, Y., ... Wermeling, F. (2020). IL-4 controls activated neutrophil FcγR2b expression and migration into inflamed joints. Proceedings Of The National Academy Of Sciences, 117(6), 3103-3113.
Wang, Q., Corey, R. A., Hedger, G., Aryal, P., Grieben, M., Nasrallah, C., … Sansom, M. S. (2019). Lipid Interactions of a Ciliary Membrane TRP Channel: Simulation and Structural Studies of Polycystin-2. Structure, 28(2), 169-184.e5.
Newman, J. A., Aitkenhead, H., Gavard, A. E., Rota, I. A., Handel, A. E., Hollander, G. A., & Gileadi, O. (2019). The crystal structure of human forkhead box N1 in complex with DNA reveals the structural basis for forkhead box family specificity. Journal of Biological Chemistry, 295(10), 2948–2958.
Larsson, K., Steinmetz, J., Bergqvist, F., Arefin, S., Spahiu, L., Wannberg, J., … Jakobsson, P. J. (2019). Biological characterization of new inhibitors of microsomal PGE synthase‐1 in preclinical models of inflammation and vascular tone. British Journal of Pharmacology, 176(24), 4625–4638.
Allali-Hassani, A., Szewczyk, M. M., Ivanochko, D., Organ, S. L., Bok, J., Ho, J., … Vedadi, M. (2019). Discovery of a chemical probe for PRDM9. Nature communications, 10(1), 5759.
Ni, X., Heidenreich, D., Christott, T., Bennett, J., Moustakim, M., Brennan, P., ... Chaikuad A. (2019). Structural Insights into Interaction Mechanisms of Alternative Piperazine-urea YEATS Domain Binders in MLLT1. ACS Medicinal Chemistry Letters, 10(12), 1661-1666.
Huang, Y., Mouttet, B., Warnatz, H., Risch, T., Rietmann, F., Frommelt, F., ... Bourquin, J. (2019). The Leukemogenic TCF3-HLF Complex Rewires Enhancers Driving Cellular Identity and Self-Renewal Conferring EP300 Vulnerability. Cancer Cell, 36(6), 630-644.e9.
Chaikuad, A., Thangaratnarajah, C., von Delft, F., & Bullock, A. N. (2019). Structural consequences of BMPR2 kinase domain mutations causing pulmonary arterial hypertension. Scientific reports, 9(1), 18351.
Li, A., Li, F., Eram, M., Bolotokova, A., dela Seña, C., & Vedadi, M. (2019). Chemical probes for protein arginine methyltransferases. Methods.
Sánchez-Duffhues, G., Williams, E., Benderitter, P., Orlova, V., van Wijhe, M., Garcia de Vinuesa, A., … Ten Dijke, P. (2019). Development of Macrocycle Kinase Inhibitors for ALK2 Using Fibrodysplasia Ossificans Progressiva-Derived Endothelial Cells. JBMR plus, 3(11), e10230.
Ozyerli-Goknar, E., Sur-Erdem, I., Seker, F., Cingöz, A., Kayabolen, A., Kahya-Yesil, Z., … Bagci-Onder, T. (2019). The fungal metabolite chaetocin is a sensitizer for pro-apoptotic therapies in glioblastoma. Cell death & disease, 10(12), 894.
Shukla, V., Halabelian, L., Balagere, S., Samaniego-Castruita, D., Feldman, D., Arrowsmith, C., ... Aravind, L. (2020). HMCES Functions in the Alternative End-Joining Pathway of the DNA DSB Repair during Class Switch Recombination in B Cells. Molecular Cell, 77(2), 384-394.e4.
Profeta, G. S., Dos Reis, C. V., Santiago, A., Godoi, P., Fala, A. M., Wells, C. I., … Couñago, R. M. (2019). Binding and structural analyses of potent inhibitors of the human Ca2+/calmodulin dependent protein kinase kinase 2 (CAMKK2) identified from a collection of commercially-available kinase inhibitors. Scientific reports, 9(1), 16452.
Kirkby, N., Raouf, J., Ahmetaj-Shala, B., Liu, B., Mazi, S., Edin, M., ... Mitchell, J. (2019). Mechanistic definition of the cardiovascular mPGES-1/COX-2/ADMA axis. Cardiovascular Research.
Bergqvist, F., Morgenstern, R., & Jakobsson, P. J. (2020). A review on mPGES-1 inhibitors: From preclinical studies to clinical applications. Prostaglandins & Other Lipid Mediators, 147, 106383.
Wei, Y., Resetca, D., Li, Z., Johansson-Åkhe, I., Ahlner, A., Helander, S., ... Sunnerhagen, M. (2019). Multiple direct interactions of TBP with the MYC oncoprotein. Nature Structural & Molecular Biology, 26(11), 1035-1043.
Asquith, C., Laitinen, T., Bennett, J., Wells, C., Elkins, J., Zuercher, W., ... Poso, A. (2019). Design and Analysis of the 4‐Anilinoquin(az)oline Kinase Inhibition Profiles of GAK/SLK/STK10 Using Quantitative Structure‐Activity Relationships. Chemmedchem, 15(1), 26-49.
Schapira, M., Calabrese, M., Bullock, A., & Crews, C. (2019). Targeted protein degradation: expanding the toolbox. Nature Reviews Drug Discovery, 18(12), 949-963.
Cai, X. C., Zhang, T., Kim, E. J., Jiang, M., Wang, K., Wang, J., … Luo, M. (2019). A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion. eLife, 8, e47110.
Liu, K., & Min, J. (2019). Structural Basis for the Recognition of Non-methylated DNA by the CXXC Domain. Journal Of Molecular Biology.
Carabajal, M., Asquith, C., Laitinen, T., Tizzard, G., Yim, L., Rial, A., ... García Véscovi, E. (2019). Quinazoline-Based Antivirulence Compounds Selectively Target Salmonella PhoP/PhoQ Signal Transduction System. Antimicrobial Agents And Chemotherapy, 64(1).
Salah, E., Chatterjee, D., Beltrami, A., Tumber, A., Preuss, F., Canning, P., … Mathea, S. (2019). Lessons from LIMK1 enzymology and their impact on inhibitor design. The Biochemical journal, 476(21), 3197–3209.
Yu, X., Plotnikova, O., Bonin, P. D., Subashi, T. A., McLellan, T. J., Dumlao, D., … Han, S. (2019). Cryo-EM structures of the human glutamine transporter SLC1A5 (ASCT2) in the outward-facing conformation. eLife, 8, e48120.
Barsyte-Lovejoy D. (2019). SETD7 at the heart of chromatin factor interplay. Stem cell investigation, 6, 20.
Fagan, V., Johansson, C., Gileadi, C., Monteiro, O., Dunford, J., Nibhani, R., ... Oppermann, U. (2019). A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function. Journal Of Medicinal Chemistry, 62(20), 9008-9025.
Wong, J. F., Brown, E. J., Williams, E., & Bullock, A. N. (2019). Fostering open collaboration in drug development for paediatric brain tumours. Biochemical Society transactions, 47(5), 1471–1479.
Righetto, G. L., Sriranganadane, D., Halabelian, L., Chiodi, C. G., Elkins, J. M., Massirer, K. B., … Couñago, R. M. (2019). The C-Terminal Domains SnRK2 Box and ABA Box Have a Role in Sugarcane SnRK2s Auto-Activation and Activity. Frontiers in plant science, 10, 1105.
Serafim, R., de Souza Gama, F. H., Dutra, L. A., Dos Reis, C. V., Vasconcelos, S., da Silva Santiago, A., … Couñago, R. M. (2019). Development of Pyridine-based Inhibitors for the Human Vaccinia-related Kinases 1 and 2. ACS medicinal chemistry letters, 10(9), 1266–1271.
Bushell, S. R., Pike, A. C. W., Falzone, M. E., Rorsman, N. J. G., Ta, C. M., Corey, R. A., … Carpenter, E. P. (2019). The structural basis of lipid scrambling and inactivation in the endoplasmic reticulum scramblase TMEM16K. Nature Communications, 10(1), 3956.
Alam, M., Sanchez-Azqueta, A., Janha, O., Flannery, E., Mahindra, A., Mapesa, K., ... Tobin A. (2019). Validation of the protein kinase PfCLK3 as a multistage cross-species malarial drug target. Science, 365(6456), eaau1682.
Schapira, M., Open Lab Notebook Consortium, & Harding, R. J. (2019). Open laboratory notebooks: good for science, good for society, good for scientists. F1000Research, 8, 87.
Lepore, R., Kryshtafovych, A., Alahuhta, M., Veraszto, H. A., Bomble, Y. J., Bufton, J. C., … Schwede, T. (2019). Target highlights in CASP13: Experimental target structures through the eyes of their authors. Proteins, 87(12), 1037–1057.
Kramer, J., Woltersdorf, S., Duflot, T., Hiesinger, K., Lillich, F., Knöll, F., ... Proschak, E. (2019). Discovery of the First in Vivo Active Inhibitors of the Soluble Epoxide Hydrolase Phosphatase Domain. Journal Of Medicinal Chemistry, 62(18), 8443-8460.
Asquith, C., Maffuid, K., Laitinen, T., Torrice, C., Tizzard, G., Crona, D., & Zuercher, W. (2019). Targeting an EGFR Water Network with 4‐Anilinoquin(az)oline Inhibitors for Chordoma. Chemmedchem, 14(19), 1693-1700.
Taylor, A., Swewczyk, M., Kennedy, S., Trush, V., Wu, H., Zeng, H., ... Owen, D. (2019). Selective, Small-Molecule Co-Factor Binding Site Inhibition of a Su(var)3–9, Enhancer of Zeste, Trithorax Domain Containing Lysine Methyltransferase. Journal Of Medicinal Chemistry, 62(17), 7669-7683.
Schäfer, A., Gjerga, E., Welford, R. W., Renz, I., Lehembre, F., Groenen, P. M., … Gstaiger, M. (2019). Elucidating essential kinases of endothelin signalling by logic modelling of phosphoproteomics data. Molecular systems biology, 15(8), e8828.
Fong, J., Pignata, L., Goy, P., Kawabata, K., Lee, S., Koh, C., ... Guccione, E. (2019). Therapeutic Targeting of RNA Splicing Catalysis through Inhibition of Protein Arginine Methylation. Cancer Cell, 36(2), 194-209.e9.
Kaustov, L., Lemak, A., Wu, H., Faini, M., Fan, L., Fang, X., … Arrowsmith, C. H. (2019). The MLL1 trimeric catalytic complex is a dynamic conformational ensemble stabilized by multiple weak interactions. Nucleic acids research, 47(17), 9433–9447.
Lei, M., Tempel, W., Chen, S., Liu, K., & Min, J. (2019). Plasticity at the DNA recognition site of the MeCP2 mCG-binding domain. Biochimica Et Biophysica Acta (BBA) - Gene Regulatory Mechanisms, 1862(9), 194409.
Amon, S., Meier-Abt, F., Gillet, L. C., Dimitrieva, S., Theocharides, A., Manz, M. G., & Aebersold, R. (2019). Sensitive Quantitative Proteomics of Human Hematopoietic Stem and Progenitor Cells by Data-independent Acquisition Mass Spectrometry. Molecular & cellular proteomics : MCP, 18(7), 1454–1467.
Abdul Azeez, K. R., Chatterjee, S., Yu, C., Golub, T. R., Sobott, F., & Elkins, J. M. (2019). Structural mechanism of synergistic activation of Aurora kinase B/C by phosphorylated INCENP. Nature communications, 10(1), 3166.
Zhu, D., Huang, H., Pinkas, D. M., Luo, J., Ganguly, D., Fox, A. E., … Lu, X. (2019). 2-Amino-2,3-dihydro-1H-indene-5-carboxamide-Based Discoidin Domain Receptor 1 (DDR1) Inhibitors: Design, Synthesis, and in Vivo Antipancreatic Cancer Efficacy. Journal of medicinal chemistry, 62(16), 7431–7444.
Asquith, C., Treiber, D., & Zuercher, W. (2019). Utilizing comprehensive and mini-kinome panels to optimize the selectivity of quinoline inhibitors for cyclin G associated kinase (GAK). Bioorganic & Medicinal Chemistry Letters, 29(14), 1727-1731.
Mader, P., Mendoza-Sanchez, R., Iqbal, A., Dong, A., Dobrovetsky, E., Corless, V., ... Arrowsmith, C. (2019). Identification and characterization of the first fragment hits for SETDB1 Tudor domain. Bioorganic & Medicinal Chemistry, 27(17), 3866-3878.
Zhang, C., Creech, K. L., Zuercher, W. J., & Willson, T. M. (2019). Gram-scale synthesis of FICZ, a photoreactive endogenous ligand of the aryl hydrocarbon receptor. Scientific reports, 9(1), 9982.
Asquith, C., Fleck, N., Torrice, C., Crona, D., Grundner, C., & Zuercher, W. (2019). Anti-tubercular activity of novel 4-anilinoquinolines and 4-anilinoquinazolines. Bioorganic & Medicinal Chemistry Letters, 29(18), 2695-2699.
Böttcher, J., Dilworth, D., Reiser, U., Neumüller, R., Schleicher, M., Petronczki, M., ... McConnell D. (2019). Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nature Chemical Biology, 15(8), 822-829.
Chen, S., Zhang, W., Min, J., & Liu, K. (2019). Lesson from a Fab-enabled co-crystallization study of TDRD2 and PIWIL1. Methods.
Mathea, S., Salah, E., & Knapp, S. (2019). High-Throughput Purification of Protein Kinases from Escherichia coli and Insect Cells. Methods In Molecular Biology, 191-202.
Carter, A., Kraemer, O., Zwick, M., Mueller-Fahrnow, A., Arrowsmith, C., & Edwards, A. (2019). Target 2035: probing the human proteome. Drug Discovery Today, 24(11), 2111-2115.
Chen, Z., Picaud, S., Filippakopoulos, P., D'Angiolella, V., & Bullock, A. N. (2019). Structural Basis for Recruitment of DAPK1 to the KLHL20 E3 Ligase. Structure (London, England : 1993), 27(9), 1395–1404.e4.
Xiong, Y., Greschik, H., Johansson, C., Seifert, L., Bacher, J., Park, K, ... Jin J. (2019). Discovery of a Potent and Selective Fragment-like Inhibitor of Methyllysine Reader Protein Spindlin 1 (SPIN1). Journal Of Medicinal Chemistry, 62(20), 8996-9007.
Fang, H., De Wolf, H., Knezevic, B., Burnham, K., Osgood, J., Sanniti, A., ... Knight, J. (2019). A genetics-led approach defines the drug target landscape of 30 immune-related traits. Nature Genetics, 51(7), 1082-1091.
Halabelian, L., Ravichandran, M., Li, Y., Zeng, H., Rao, A., Aravind, L., & Arrowsmith, C. H. (2019). Structural basis of HMCES interactions with abasic DNA and multivalent substrate recognition. Nature structural & molecular biology, 26(7), 607–612.
Thomas, S. E., Collins, P., James, R. H., Mendes, V., Charoensutthivarakul, S., Radoux, C., … Blundell, T. L. (2019). Structure-guided fragment-based drug discovery at the synchrotron: screening binding sites and correlations with hotspot mapping. Philosophical transactions. Series A, Mathematical, physical, and engineering sciences, 377(2147), 20180422.
Verdonck, S., Pu, S., Sorrell, F., Elkins, J., Froeyen, M., Gao, L., ... De Jonghe, S. (2019). Synthesis and Structure–Activity Relationships of 3,5-Disubstituted-pyrrolo[2,3-b]pyridines as Inhibitors of Adaptor-Associated Kinase 1 with Antiviral Activity. Journal Of Medicinal Chemistry, 62(12), 5810-5831.
Celis-Gutierrez, J., Blattmann, P., Zhai, Y., Jarmuzynski, N., Ruminski, K., Grégoire, C., … Malissen, B. (2019). Quantitative Interactomics in Primary T Cells Provides a Rationale for Concomitant PD-1 and BTLA Coinhibitor Blockade in Cancer Immunotherapy. Cell reports, 27(11), 3315–3330.e7.
Bergqvist, F., Ossipova, E., Idborg, H., Raouf, J., Checa, A., Englund, K., ... Jakobsson, P. J. (2019). Inhibition of mPGES-1 or COX-2 Results in Different Proteomic and Lipidomic Profiles in A549 Lung Cancer Cells. Frontiers in pharmacology, 10, 636.
Resnick, E., Bradley, A., Gan, J., Douangamath, A., Krojer, T., Sethi, R., … London, N. (2019). Rapid Covalent-Probe Discovery by Electrophile-Fragment Screening. Journal of the American Chemical Society, 141(22), 8951–8968.
Dilworth, D., Barsyte-Lovejoy, D. (2019). Targeting protein methylation: from chemical tools to precision medicines. Cellular And Molecular Life Sciences, 76(15), 2967-2985.
Fox, N. G., Yu, X., Feng, X., Bailey, H. J., Martelli, A., Nabhan, J. F., … Han, S. (2019). Structure of the human frataxin-bound iron-sulfur cluster assembly complex provides insight into its activation mechanism. Nature communications, 10(1), 2210.
Idborg, H., Zandian, A., Ossipova, E., Wigren, E., Preger, C., Mobarrez, F., ... Jakobsson, P. J. (2019). Circulating Levels of Interferon Regulatory Factor-5 Associates With Subgroups of Systemic Lupus Erythematosus Patients. Frontiers in immunology, 10, 1029.
Le Bihan, Y. V., Lanigan, R. M., Atrash, B., McLaughlin, M. G., Velupillai, S., Malcolm, A. G., … Bavetsias, V. (2019). C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. European journal of medicinal chemistry, 177, 316–337.
Chen, S., Wiewiora, R. P., Meng, F., Babault, N., Ma, A., Yu, W., … Luo, M. (2019). The dynamic conformational landscape of the protein methyltransferase SETD8. eLife, 8, e45403.
Carvalho, D., Taylor, K., Olaciregui, N., Molinari, V., Clarke, M., Mackay, A., ... Jones, C., (2019). ALK2 inhibitors display beneficial effects in preclinical models of ACVR1 mutant diffuse intrinsic pontine glioma. Communications Biology, 2(1).
Drewry, D., Wells, C., Zuercher, W., & Willson, T. (2019). A Perspective on Extreme Open Science: Companies Sharing Compounds without Restriction. SLAS Discovery: Advancing Life Sciences R&D, 24(5), 505-514.
Zhang, R., McIntyre, P., Collins, P., Foley, D., Arter, C., von Delft, F., ... Nelson, A. (2019). Construction of a Shape‐Diverse Fragment Set: Design, Synthesis and Screen against Aurora‐A Kinase. Chemistry – A European Journal, 25(27), 6831-6839.
Wang, J., Varin, T., Vieth, M., & Elkins, J. M. (2019). Crystal structure of human RIOK2 bound to a specific inhibitor. Open biology, 9(4), 190037.
Suh, J. L., Barnash, K. D., Abramyan, T. M., Li, F., The, J., Engelberg, I. A., … Frye, S. V. (2019). Discovery of selective activators of PRC2 mutant EED-I363M. Scientific reports, 9(1), 6524.
Wu, Q., Heidenreich, D., Zhou, S., Ackloo, S., Krämer, A., Nakka, K., … Knapp, S. (2019). A chemical toolbox for the study of bromodomains and epigenetic signaling. Nature communications, 10(1), 1915.
Asquith, C., Naegeli, K., East, M., Laitinen, T., Havener, T., Wells, C., ... Morris, D. (2019). Design of a Cyclin G Associated Kinase (GAK)/Epidermal Growth Factor Receptor (EGFR) Inhibitor Set to Interrogate the Relationship of EGFR and GAK in Chordoma. Journal Of Medicinal Chemistry, 62(9), 4772-4778.
Huang, L., Li, H., Li, L., Niu, L., Seupel, R., Wu, C., ... Yang, S. (2019). Discovery of Pyrrolo[3,2-d]pyrimidin-4-one Derivatives as a New Class of Potent and Cell-Active Inhibitors of P300/CBP-Associated Factor Bromodomain. Journal Of Medicinal Chemistry, 62(9), 4526-4542.
Liu, K., Lei, M., Wu, Z., Gan, B., Cheng, H., Li, Y., & Min, J. (2019). Structural analyses reveal that MBD 3 is a methylated CG binder. The FEBS Journal, 286(16), 3240-3254.
Walker, B., Tempel, W., Zhu, H., Park, H., & Cochran, J. (2019). Chromokinesins NOD and KID Use Distinct ATPase Mechanisms and Microtubule Interactions To Perform a Similar Function. Biochemistry, 58(18), 2326-2338.
Ebrahimi, A., Sevinç, K., Gürhan Sevinç, G., Cribbs, A. P., Philpott, M., Uyulur, F., … Önder, T. T. (2019). Bromodomain inhibition of the coactivators CBP/EP300 facilitate cellular reprogramming. Nature chemical biology, 15(5), 519–528.
Pfeiffer, M., Johansson, C., Krojer, T., Kavanagh, K. L., Oppermann, U., & Nidetzky, B. (2019). A Parsimonious Mechanism of Sugar Dehydration by Human GDP-Mannose-4,6-dehydratase. ACS catalysis, 9(4), 2962–2968.
Paudel, P., Zhang, Q., Leung, C., Greenberg, H. C., Guo, Y., Chern, Y. H., … Tong, Y. (2019). Crystal structure and activity-based labeling reveal the mechanisms for linkage-specific substrate recognition by deubiquitinase USP9X. Proceedings of the National Academy of Sciences of the United States of America, 116(15), 7288–7297.
Rao, S., Gurbani, D., Du, G., Everley, R., Browne, C., Chaikuad, A., ... Gray, N. (2019). Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome. Cell Chemical Biology. S2451-9456(19)30076-5.
Bergqvist, F., Carr, A. J., Wheway, K., Watkins, B., Oppermann, U., Jakobsson, P. J., & Dakin, S. G. (2019). Divergent roles of prostacyclin and PGE2 in human tendinopathy. Arthritis research & therapy, 21(1), 74.
Tavera-Tapia, A., de la Hoya, M., Calvete, O., Martin-Gimeno, P., Fernández, V., Macías, J. A., Alonso, B., Pombo, L., de Diego, C., Alonso, R., Pita, G., Barroso, A., Urioste, M., Caldés, T., Newman, J. A., Benítez, J., & Osorio, A. (2019). RECQL5: Another DNA helicase potentially involved in hereditary breast cancer susceptibility. Human mutation, 40(5), 566–577.
Torell F, Eketjäll S, Idborg H, Jakobsson PJ, Gunnarsson I, Svenungsson E, Trygg J. Cytokine Profiles in Autoantibody Defined Subgroups of Systemic Lupus Erythematosus. (2019) Journal of Proteome Reseach. 18(3):1208-1217.
Asquith, C. R. M., Berger, B. T., Wan, J., Bennett, J. M., Capuzzi, S. J., Crona, D. J., ... Zuercher, W. J. (2019) SGC-GAK-1: A Chemical Probe for Cyclin G Associated Kinase (GAK). Journal of Medicinal Chemistry, 62, 2830-2836.
Watts, E., Heidenreich, D., Tucker, E., Raab, M., Strebhardt, K., Chesler, L., … Hoelder, S. (2019). Designing Dual Inhibitors of Anaplastic Lymphoma Kinase (ALK) and Bromodomain-4 (BRD4) by Tuning Kinase Selectivity. Journal of medicinal chemistry,62(5), 2618–2637.
Idborg, H., Zandian, A., Sandberg, A. S., Nilsson, B., Elvin, K., Truedsson, L., … Jakobsson, P. J. (2019). Two subgroups in systemic lupus erythematosus with features of antiphospholipid or Sjögren's syndrome differ in molecular signatures and treatment perspectives. Arthritis research & therapy, 21(1), 62.
Bertran, M. T., Mouilleron, S., Zhou, Y., Bajaj, R., Uliana, F., Kumar, G. S., … Tapon, N. (2019). ASPP proteins discriminate between PP1 catalytic subunits through their SH3 domain and the PP1 C-tail. Nature communications, 10(1), 771.
D'Ascenzio, M., Pugh, KM., Konietzny, R., Berridge, G., Tallant, C., Hashem, S., ... Brennan, PE. (2019). An Activity-Based Probe Targeting Non-Catalytic, Highly Conserved Amino Acid Residues within Bromodomains. Angew Chemie International Edition, 58(4), 1007-1012.
Scheer, S., Ackloo, S., Medina, T. S., Schapira, M., Li, F., Ward, J. A., … Arrowsmith, C. H. (2019). A Chemical Biology Toolbox to Study Protein Methyltransferases and Epigenetic Signaling.. Nature communications, 10(1), 19.
Agajanian, M. J., Walker, M. P., Axtman, A. D., Ruela-de-Sousa, R. R., Serafin, D. S., Rabinowitz, A. D., … Major, M. B. (2019). WNT Activates the AAK1 Kinase to Promote Clathrin-Mediated Endocytosis of LRP6 and Establish a Negative Feedback Loop. Cell reports, 26(1), 79–93.e8.
Liu, L., Damerell, DR., Koukouflis, L., Tong, Y., Marsden, BD., Schapira, M. (2019). UbiHub: A Data Hub for the Explorers of Ubiquitination Pathways. Bioinformatics.
Fernandes-Cerqueira, C., Renard, N., Notarnicola, A., Wigren, E., Gräslund, S., Zubarev, R. A., … Lundström, S. L. (2018). Patients with anti-Jo1 antibodies display a characteristic IgG Fc-glycan profile which is further enhanced in anti-Jo1 autoantibodies. Scientific reports, 8(1), 17958. doi:10.1038/s41598-018-36395-z.
Lambert, J. P., Picaud, S., Fujisawa, T., Hou, H., Savitsky, P., Uusküla-Reimand, L., … Gingras, A. C. (2019). Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.Molecular cell,73(3), 621–638.e17.
Vazquez-Rodriguez, S., Wright, M., Rogers, C. M., Cribbs, A. P., Velupillai, S., Philpott, M., … Brennan, P. E. (2018). Design, Synthesis and Characterization of Covalent KDM5 Inhibitors. Angewandte Chemie (International ed. in English),58(2), 515–519.
Heidenreich, D., Moustakim, M., Schmidt, J., Merk, D., Brennan, PE., Fedorov, O., ... Knapp, S. (2018). Structure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL). Journal Of Medicinal Chemistry, 61(23), 10929-10934.
Collins, PM., Douangamath, A., Talon, R., Dias, A., Brandao-Neto, J., Krojer, T., von Delft, F. (2018). Achieving a Good Crystal System for Crystallographic X-Ray Fragment Screening. Methods in Enzymology, 610, 251-264.
Moustakim, M., Felce, SL., Zaarour, N., Farnie, G., McCann, FE., Brennan, PE. (2018). Target Identification Using Chemical Probes. Methods in Enzymology, 610, 27-58.
Dong, Y. Y., Wang, H., Pike, A., Cochrane, S. A., Hamedzadeh, S., Wyszyński, F. J., … Carpenter, E. P. (2018). Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design.Cell, 175(4), 1045–1058.e16.
Bilyard, MK., Bailey, HJ., Raich, L., Gafitescu, MA., Machida, T., Iglésias-Fernández, J., ... Davis, BG. (2018). Palladium-Mediated Enzyme Activation Suggests Multiphase Initiation of Glycogenesis. Nature, 563(7730), 235-240.
Christott, T., Bennett, J., Coxon, C., Monteiro, O., Giroud, C., Beke, V., ... Fedorov, O. (2018). Discovery of a Selective Inhibitor for the YEATS Domains of ENL/AF9. SLAS Discovery, 24(2), 133-141.
Kagoya, Y., Saijo, H., Matsunaga, Y., Guo, T., Saso, K., Anczurowski, M., ... Hirano, N. (2018). Arginine Methylation of FOXP3 is Crucial for The Suppressive Function of Regulatory T Cells. Journal of Autoimmunity, 97, 10-21.
Moustakim, M., Christott, T., Monteiro, O. P., Bennett, J., Giroud, C., Ward, J., … Fedorov, O. (2018). Discovery of an MLLT1/3 YEATS Domain Chemical Probe. Angewandte Chemie (International ed. in English), 57(50), 16302–16307.
Santiago, A., Couñago, R. M., Ramos, P. Z., Godoi, P., Massirer, K. B., Gileadi, O., & Elkins, J. M. (2018). Structural Analysis of Inhibitor Binding to CAMKK1 Identifies Features Necessary for Design of Specific Inhibitors. Scientific reports, 8(1), 14800.
Stefaniak, J., Lewis, A. M., Conole, D., Galan, S., Bataille, C., Wynne, G. M., … Huber, K. (2018). Chemical Instability and Promiscuity of Arylmethylidenepyrazolinone-Based MDMX Inhibitors. ACS Chemical Biology, 13(10), 2849–2854.
Cai, X., Chen, X. M., Xia, X., Bao, K., Wang, R. R., Peng, J. H., … Huang, Q. C. (2018). The Bone-Protecting Efficiency of Chinese Medicines Compared With Western Medicines in Rheumatoid Arthritis: A Systematic Review and Meta-Analysis of Comparative Studies. Frontiers in pharmacology, 9, 914.
Wang, Z., Zhang, Y., Pinkas, D. M., Fox, A. E., Luo, J., Huang, H., … Lu, X. (2018). Design, Synthesis, and Biological Evaluation of 3-(Imidazo[1,2- a]pyrazin-3-ylethynyl)-4-isopropyl- N-(3-((4-methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)phenyl)benzamide as a Dual Inhibitor of Discoidin Domain Receptors 1 and 2. Journal of medicinal chemistry, 61(17), 7977–7990.
Wang, J., Erazo, T., Ferguson, F.M., Buckley, D.L., Gomez, N., Muñoz-Guardiola, P., ... Gray, N.S. (2018). Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-Benzodiazipinones as Inhibitors of Kinases and Bromodomains. ACS Chemical Biology, 13(9), 2438-2448.
Hudson, L., Mui, J., Vázquez, S., Carvalho, D. M., Williams, E., Jones, C., … Hoelder, S. (2018). Novel Quinazolinone Inhibitors of ALK2 Flip between Alternate Binding Modes: Structure-Activity Relationship, Structural Characterization, Kinase Profiling, and Cellular Proof of Concept. Journal of Medicinal Chemistry, 61(16), 7261–7272.
Hrdinka, M., Schlicher, L., Dai, B., Pinkas, D. M., Bufton, J. C., Picaud, S., … Gyrd-Hansen, M. (2018). Small molecule inhibitors reveal an indispensable scaffolding role of RIPK2 in NOD2 signaling.The EMBO journal, 37(17), e99372.
Favalli, N., Biendl, S., Hartmann, M., Piazzi, J., Sladojevich, F., Gräslund, S., … Neri, D. (2018). A DNA-Encoded Library of Chemical Compounds Based on Common Scaffolding Structures Reveals the Impact of Ligand Geometry on Protein Recognition. ChemMedChem, 13(13), 1303–1307.
Damerell, D. R., Strain-Damerell, C., Garsot, S., Joyce, S. P., Barrett, P., & Marsden, B. D. (2018). SATurn: A Modular Bioinformatics Framework for the Design of Robust Maintainable Web-Based and Standalone Applications. Bioinformatics (Oxford, England), 35(2), 349–351.
Wright, M., Martinez-Lamenca, C., Leenaerts, J.E., Brennan, P.E., Trabanco, A.A., Oehlrich, D. (2018). A Bench-Stable Transfer Reagent for the Synthesis of Trifluoromethyl-sulfonimidamides from Sulfinamides. Journal of Organic Chemistry, 83(16), 9510-9516.
Kock, A., Larsson, K., Bergqvist, F., Eissler, N., Elfman, L., Raouf, J., … Kogner, P. (2018). Inhibition of Microsomal Prostaglandin E Synthase-1 in Cancer-Associated Fibroblasts Suppresses Neuroblastoma Tumor Growth. EBioMedicine, 32, 84–92.
Tosarini, T., Ramos, P., Profeta, G., Baroni, R., Massirer, K., Couñago, R., & Mondego, J. (2018). Cloning, expression and purification of kinase domains of cacao PR-1 receptor-like kinases. Protein Expression And Purification, 146, 78-84.
Forster, M., Chaikuad, A., Dimitrov, T., During E, Holstein J, Berger BT, ... Laufer SA. (2018). Development, Optimization and Structure-Activity Relationships of Covalent-Reversible JAK3 Inhibitors Based on a Tricyclic Imidazo[5,4-d]pyrrolo[2,3-b]pyridine Scaffold. Journal of Medicinal Chemistry, 61(12), 5350-5366.
Filippakopoulos P. (2018). What Is the BET on Solid Tumors? Journal of Clinical Oncology.
Kagoya, Y., Nakatsugawa, M., Saso, K., Guo, T., Anczurowski, M., Wang, C. H., … Hirano, N. (2018). DOT1L Inhibition Attenuates Graft-Versus-Host Disease by Allogeneic T Cells in Adoptive Immunotherapy Models. Nature Communications, 9(1), 1915.
Jennings LE, Schiedel M, Hewings DS, Picaud S, Laurin CMC, Bruno PA, ... Conway SJ. (2018). BET Bromodomain Ligands: Probing the WPF Shelf to Improve BRD4 Bromodomain Affinity and Metabolic Stability. Bioorganic & Medicinal Chemistry, 26(11), 2937-2957.
Bonday, Z.Q., Cortez, G.S., Grogan, M.J., Antonysamy, S., Weichert, K., Bocchinfuso, W.P., ... Campbell, R.M. (2018). LLY-283, a Potent and Selective Inhibitor of Arginine Methyltransferase 5, PRMT5, with Antitumor Activity. ACS Medicinal Chemistry Letters, 9(7), 612-617.
Müller, S., Ackloo, S., Arrowsmith, C. H., Bauser, M., Baryza, J. L., Blagg, J., … Mueller-Fahrnow, A. (2018). Donated chemical probes for open science. eLife, 7, e34311.
Nakayama, K., Szewczyk, M. M., Dela Sena, C., Wu, H., Dong, A., Zeng, H., … Brown, P. J. (2018). TP-064, a potent and selective small molecule inhibitor of PRMT4 for multiple myeloma. Oncotarget, 9(26), 18480–18493.
de Andrés, M.C., Madhusudan, N., Bountra, C., Oppermann, U., Oreffo, R.O. (2018). Bromodomain Inhibitors are Potent Epigenetic Regulators of Catabolic Gene Expression in Human Osteoarthritic Chondrocytes. Osteoarthritis and Cartilage, 26(1), S154.
Williams, E., & Bullock, A. N. (2018). Structural basis for the potent and selective binding of LDN-212854 to the BMP receptor kinase ALK2. Bone, 109, 251–258.
Bowkett, D., Talon, R., Tallant, C., Schofield, C., von Delft, F., Knapp, S., … Brennan, P. E. (2018). Identifying Small-Molecule Binding Sites for Epigenetic Proteins at Domain-Domain Interfaces. ChemMedChem, 13(10), 1051–1057.
Knapp S. (2018). New Opportunities for Kinase Drug Repurposing and Target Discovery. British Journal of Cancer, 118(7), 936-937.
Machiya A, Tsukamoto S, Ohte S, Kuratani M, Fujimoto M, Kumagai K, ... Katagiri T. (2018). Effects of FKBP12 and Type II BMP Receptors on Signal Transduction by ALK2 Activating Mutations Associated with Genetic Disorders. Bone, 111, 101-108.
Moustakim, M., Riedel, K., Schuller, M., Gehring, A. P., Monteiro, O. P., Martin, S. P., … Brennan, P. E. (2018). Discovery of a novel allosteric inhibitor scaffold for polyadenosine-diphosphate-ribose polymerase 14 (PARP14) macrodomain 2. Bioorganic & medicinal chemistry, 26(11), 2965–2972.
Rahm F, Viklund J, Trésaugues L, Ellermann M, Giese A, Ericsson U, ... Andersson M. (2018). Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design. Journal of Medicinal Chemistry, 61(6), 2533-2551.
Han, Z., Wu, H., Kim, S., Yang, X., Li, Q., & Huang, H., ... Zheng, Y. G. (2018). Revealing the protein propionylation activity of the histone acetyltransferase MOF (males absent on the first). Journal Of Biological Chemistry, 293(9), 3410-3420.
Kasinath, V., Faini, M., Poepsel, S., Reif, D., Feng, X., Stjepanovic, G., ... Nogales, E (2018). Structures of human PRC2 with its cofactors AEBP2 and JARID2. Science, 359(6378), 940-944.
Babault, N., Allali-Hassani, A., Li, F., Fan, J., Yue, A., Ju, K., ... Jin, J. (2018). Discovery of Bisubstrate Inhibitors of Nicotinamide N-Methyltransferase (NNMT). Journal Of Medicinal Chemistry, 61(4), 1541-1551.
Vasta, J. D., Corona, C. R., Wilkinson, J., Zimprich, C. A., Hartnett, J. R., Ingold, M. R., … Robers, M. B. (2018). Quantitative, Wide-Spectrum Kinase Profiling in Live Cells for Assessing the Effect of Cellular ATP on Target Engagement. Cell Chemical Biology, 25(2), 206–214.e11.
Kaniskan, H. Ü., Eram, M. S., Zhao, K., Szewczyk, M. M., Yang, X., Schmidt, K., … Jin, J. (2018). Discovery of Potent and Selective Allosteric Inhibitors of Protein Arginine Methyltransferase 3 (PRMT3). Journal of Medicinal Chemistry, 61(3), 1204–1217.
Clerici, M., Faini, M., Muckenfuss, L., Aebersold, R., & Jinek, M. (2018). Structural basis of AAUAAA polyadenylation signal recognition by the human CPSF complex. Nature Structural & Molecular Biology, 25(2), 135-138.
Hülsmann, J., Kravic, B., Weith, M., Gstaiger, M., Aebersold, R., Collins, B., Meyer, H. (2018). AP-SWATH Reveals Direct Involvement of VCP/p97 in Integrated Stress Response Signaling Through Facilitating CReP/PPP1R15B Degradation. Molecular & Cellular Proteomics, 17(7), 1295-1307.
Xu, C., Liu, K., Lei, M., Yang, A., Li, Y., Hughes, T., & Min, J. (2018). DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants. Structure, 26(1), 85-95.e3.
Shadrick, W., Slavish, P., Chai, S., Waddell, B., Connelly, M., Low, J., ... Potter, P. M. (2018). Exploiting a water network to achieve enthalpy-driven, bromodomain-selective BET inhibitors. Bioorganic & Medicinal Chemistry, 26(1), 25-36.
Houliston, R. S., Lemak, A., Iqbal, A., Ivanochko, D., Duan, S., Kaustov, L., … Arrowsmith, C. H. (2017). Conformational dynamics of the TTD–PHD histone reader module of the UHRF1 epigenetic regulator reveals multiple histone-binding states, allosteric regulation, and druggability. The Journal of Biological Chemistry, 292(51), 20947–20959.
Jurkowska, R. Z., Qin, S., Kungulovski, G., Tempel, W., Liu, Y., Bashtrykov, P., … Jeltsch, A. (2017). H3K14ac is linked to methylation of H3K9 by the triple Tudor domain of SETDB1. Nature Communications, 8, 2057.
Gerken, P. A., Wolstenhulme, J. R., Tumber, A., Hatch, S. B., Zhang, Y., Müller, S., … Smith, M. D. (2017). Discovery of a Highly Selective Cell‐Active Inhibitor of the Histone Lysine Demethylases KDM2/7. Angewandte Chemie (International Ed. in English), 56(49), 15555–15559.
Wu, B., Li, L., Huang, Y., Ma, J., & Min, J. (2017). Readers, writers and erasers of N6 -methylated adenosine modification. Current Opinion In Structural Biology, 47, 67-76.
Zhang, H., Liu, K., Izumi, N., Huang, H., Ding, D., Ni, Z., … Min, J. (2017). Structural basis for arginine methylation-independent recognition of PIWIL1 by TDRD2. Proceedings of the National Academy of Sciences of the United States of America, 114(47), 12483–12488.
Fernández-Montalván, A., Berger, M., Kuropka, B., Koo, S., Badock, V., Weiske, J., ... Gorjánácz, M. (2017). Isoform-Selective ATAD2 Chemical Probe with Novel Chemical Structure and Unusual Mode of Action. ACS Chemical Biology, 12(11), 2730-2736.
Schuller, M., Riedel, K., Gibbs-Seymour, I., Uth, K., Sieg, C., Gehring, A., ... Knapp, S. (2017). Discovery of a Selective Allosteric Inhibitor Targeting Macrodomain 2 of Polyadenosine-Diphosphate-Ribose Polymerase 14. ACS Chemical Biology, 12(11), 2866-2874.
Dahlin, J. L., Nelson, K. M., Strasser, J. M., Barsyte-Lovejoy, D., Szewczyk, M. M., Organ, S., … Walters, M. A. (2017). Assay interference and off-target liabilities of reported histone acetyltransferase inhibitors. Nature Communications, 8, 1527.
Zhang, W., Sartori, M., Makhnevych, T., Federowicz, K., Dong, X., Liu, L., ... Sidhu, S. S. (2017). Generation and Validation of Intracellular Ubiquitin Variant Inhibitors for USP7 and USP10. Journal Of Molecular Biology, 429(22), 3546-3560.
Harding, R., Ferreira de Freitas, R., Collins, P., Franzoni, I., Ravichandran, M., Ouyang, H., ... Arrowsmith, C. H. (2017). Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin. Journal Of Medicinal Chemistry, 60(21), 9090-9096.
Bradley, A. R., Echalier, A., Fairhead, M., Strain-Damerell, C., Brennan, P., Bullock, A. N., … von Delft, F. (2017). The SGC beyond structural genomics: redefining the role of 3D structures by coupling genomic stratification with fragment-based discovery. Essays in Biochemistry, 61(5), 495–503.
Schapira, M., Tyers, M., Torrent, M., & Arrowsmith, C. (2017). WD40 repeat domain proteins: a novel target class?. Nature Reviews Drug Discovery, 16(11), 773-786.
Pinkas, D. M., Sanvitale, C. E., Bufton, J. C., Sorrell, F. J., Solcan, N., Chalk, R., … Bullock, A. N. (2017). Structural complexity in the KCTD family of Cullin3-dependent E3 ubiquitin ligases. Biochemical Journal, 474(22), 3747–3761.
Foley, D. J., Craven, P. G. E., Collins, P. M., Doveston, R. G., Aimon, A., Talon, R., … Nelson, A. (2017). Synthesis and Demonstration of the Biological Relevance of sp3‐rich Scaffolds Distantly Related to Natural Product Frameworks. Chemistry (Weinheim an Der Bergstrasse, Germany), 23(60), 15227–15232.
Sansook, S., Ocasio, C. A., Day, I. J., Tizzard, G. J., Coles, S. J., Fedorov, O., … Spencer, J. (2017). Synthesis of kinase inhibitors containing a pentafluorosulfanyl moiety †Electronic supplementary information (ESI) available. CCDC 154150–154153. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c7ob02289a . Organic & Biomolecular Chemistry, 15(40), 8655–8660.
Song, R., Wang, Z., & Schapira, M. (2017). Disease Association and Druggability of WD40 Repeat Proteins. Journal Of Proteome Research, 16(10), 3766-3773.
Teyra, J., Huang, H., Jain, S., Guan, X., Dong, A., Liu, Y., ... Sidhu, S. S (2017). Comprehensive Analysis of the Human SH3 Domain Family Reveals a Wide Variety of Non-canonical Specificities. Structure, 25(10), 1598-1610.e3.
Ferreira de Freitas, R., & Schapira, M. (2017). A systematic analysis of atomic protein–ligand interactions in the PDB †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7md00381a . Medchemcomm, 8(10), 1970–1981.
Moody, J. D., Levy, S., Mathieu, J., Xing, Y., Kim, W., Dong, C., … Ruohola-Baker, H. (2017). First critical repressive H3K27me3 marks in embryonic stem cells identified using designed protein inhibitor. Proceedings of the National Academy of Sciences of the United States of America, 114(38), 10125–10130.
Igoe, N., Bayle, E., Tallant, C., Fedorov, O., Meier, J., Savitsky, P., ... Fish, P. V. (2017). Design of a Chemical Probe for the Bromodomain and Plant Homeodomain Finger-Containing (BRPF) Family of Proteins. Journal Of Medicinal Chemistry, 60(16), 6998-7011.
Xiong, Y., Li, F., Babault, N., Wu, H., Dong, A., & Zeng, H., ... Jin, J. (2017). Structure-activity relationship studies of G9a-like protein (GLP) inhibitors. Bioorganic & Medicinal Chemistry, 25(16), 4414-4423.
Couñago, R. M., Allerston, C. K., Savitsky, P., Azevedo, H., Godoi, P. H., Wells, C. I., … Gileadi, O. (2017). Structural characterization of human Vaccinia-Related Kinases (VRK) bound to small-molecule inhibitors identifies different P-loop conformations. Scientific Reports, 7, 7501.
Drewry, D. H., Wells, C. I., Andrews, D. M., Angell, R., Al-Ali, H., Axtman, A. D., … Willson, T. M. (2017). Progress towards a public chemogenomic set for protein kinases and a call for contributions. PLoS ONE, 12(8), e0181585.
Roberts, T. C., Etxaniz, U., Dall’Agnese, A., Wu, S.-Y., Chiang, C.-M., Brennan, P. E., … Puri, P. L. (2017). BRD3 and BRD4 BET Bromodomain Proteins Differentially Regulate Skeletal Myogenesis. Scientific Reports, 7, 6153.
Rocklin, G. J., Chidyausiku, T. M., Goreshnik, I., Ford, A., Houliston, S., Lemak, A., … Baker, D. (2017). Global analysis of protein folding using massively parallel design, synthesis and testing. Science (New York, N.Y.), 357(6347), 168–175.
Denny, R., Flick, A., Coe, J., Langille, J., Basak, A., Liu, S., ... Chekler, E. L. P. (2017). Structure-Based Design of Highly Selective Inhibitors of the CREB Binding Protein Bromodomain. Journal Of Medicinal Chemistry, 60(13), 5349-5363.
Chaikuad, A., Filippakopoulos, P., Marcsisin, S. R., Picaud, S., Schröder, M., Sekine, S., … Knapp, S. (2017). Structures of PGAM5 Provide Insight into Active Site Plasticity and Multimeric Assembly. Structure(London, England:1993), 25(7), 1089–1099.e3.
Banerjee, J. J., Aerne, B. L., Holder, M. V., Hauri, S., Gstaiger, M., & Tapon, N. (2017). Meru couples planar cell polarity with apical-basal polarity during asymmetric cell division. eLife, 6, e25014.
Bergamin, E., Sarvan, S., Malette, J., Eram, M. S., Yeung, S., Mongeon, V., … Couture, J.-F. (2017). Molecular basis for the methylation specificity of ATXR5 for histone H3. Nucleic Acids Research, 45(11), 6375–6387.
Edwards, A., Morgan, M., Al Chawaf, A., Andrusiak, K., Charney, R., Cynader, Z., ... Zuercher, W. J. (2017). A trust approach for sharing research reagents. Science Translational Medicine, 9(392), eaai9055.
Aquino, B., Couñago, R. M., Verza, N., Ferreira, L. M., Massirer, K. B., Gileadi, O., & Arruda, P. (2017). Structural Characterization of Maize SIRK1 Kinase Domain Reveals an Unusual Architecture of the Activation Segment. Frontiers in Plant Science, 8, 852.
Lines, K. E., Stevenson, M., Filippakopoulos, P., Müller, S., Lockstone, H. E., Wright, B., … Thakker, R. V. (2017). Epigenetic pathway inhibitors represent potential drugs for treating pancreatic and bronchial neuroendocrine tumors. Oncogenesis, 6(5), e332.
Plessl, T., Bürer, C., Lutz, S., Yue, W., Baumgartner, M., Froese, D. (2017). Protein destabilization and loss of protein-protein interaction are fundamental mechanisms in cblA-type methylmalonic aciduria. Human Mutation, 38(8), 988-1001.
Bouché, L., Christ, C. D., Siegel, S., Fernández-Montalván, A. E., Holton, S. J., Fedorov, O., … Haendler, B. (2017). Benzoisoquinolinediones as Potent and Selective Inhibitors of BRPF2 and TAF1/TAF1L Bromodomains. Journal of Medicinal Chemistry, 60(9), 4002–4022.
Cooper, C. D. O., Marsden, B. D., (2017). N- and C-Terminal Truncations to Enhance Protein Solubility and Crystallization: Predicting Protein Domain Boundaries with Bioinformatics Tools. Methods In Molecular Biology, 1586, 11-31.
Gräslund, S., Savitsky, P., Müller-Knapp, S. (2017). In Vivo Biotinylation of Antigens in E. coli. Methods In Molecular Biology, 1586, 337-344.
Bataille, C., Brennan, M., Byrne, S., Davies, S., Durbin, M., Fedorov, O., … Wynne, G. M. (2017). Thiazolidine derivatives as potent and selective inhibitors of the PIM kinase family. Bioorganic & Medicinal Chemistry, 25(9), 2657-2665.
Newman, J. A., Aitkenhead, H., Savitsky, P., Gileadi, O. (2017). Insights into the RecQ helicase mechanism revealed by the structure of the helicase domain of human RECQL5. Nucleic Acids Research, 45(7), 4231–4243.
Kitevski-LeBlanc, J., Fradet-Turcotte, A., Kukic, P., Wilson, M. D., Portella, G., Yuwen, T., … Kay, L. E. (2017). The RNF168 paralog RNF169 defines a new class of ubiquitylated histone reader involved in the response to DNA damage. eLife, 6, e23872.
Caron, E., Roncagalli, R., Hase, T., Wolski, W. E., Choi, M., Menoita, M. G., … Gstaiger, M. (2017). Precise Temporal Profiling of Signaling Complexes in Primary Cells Using SWATH Mass Spectrometry. Cell Reports, 18(13), 3219–3226.
Yadav L, Tamene F, Göös H, van Drogen A, Katainen R, Aebersold R, ... Varjosalo M. (2017). Systematic Analysis of Human Protein Phosphatase Interactions and Dynamics. Cell System, 4(4), 430-444.e5.
Batson, J., Toop, H. D., Redondo, C., Babaei-Jadidi, R., Chaikuad, A., Wearmouth, S. F., … Morris, J. C. (2017). Development of Potent, Selective SRPK1 Inhibitors as Potential Topical Therapeutics for Neovascular Eye Disease. ACS Chemical Biology, 12(3), 825-832.
Tumber, A., Nuzzi, A., Hookway, E. S., Hatch, S. B., Velupillai, S., Johansson, C., … Brennan, P. E. (2017). Potent and Selective KDM5 Inhibitor Stops Cellular Demethylation of H3K4me3 at Transcription Start Sites and Proliferation of MM1S Myeloma Cells. Cell Chemical Biology, 24(3), 371–380.
Persson, H., Preger, C., Marcon, E., Lengqvist, J., Gräslund, S. (2017). Antibody Validation by Immunoprecipitation Followed by Mass Spectrometry Analysis. Methods In Molecular Biology, 1575, 175-187.
Hatch, S. B., Yapp, C., Montenegro, R. C., Savitsky, P., Gamble, V., Tumber, A., … Müller, S. (2017). Assessing histone demethylase inhibitors in cells: lessons learned. Epigenetics & Chromatin, 10, 9.
Pearce, N. M., Bradley, A. R., Krojer, T., Marsden, B. D., Deane, C. M., & von Delft, F. (2017). Partial-occupancy binders identified by the Pan-Dataset Density Analysis method offer new chemical opportunities and reveal cryptic binding sites. Structural Dynamics, 4(3), 032104.
Carter, A. J., Donner, A., Lee, W. H., Bountra, C. (2017). Establishing a reliable framework for harnessing the creative power of the scientific crowd. PLoS Biology, 15(2), e2001387.
Wang, Z., Zhang, Y., Bartual, S. G., Luo, J., Xu, T., Du, W., … Ding, K. (2017). Tetrahydroisoquinoline-7-carboxamide Derivatives as New Selective Discoidin Domain Receptor 1 (DDR1) Inhibitors. ACS Medicinal Chemistry Letters, 8(3), 327–332.
Wilkes, M., Madej, M. G., Kreuter, L., Rhinow, D., Heinz, V., De Sanctis, S., … Ziegler, C. (2017). Molecular insights into lipid-assisted Ca2+ regulation of the TRP channel Polycystin-2. Nature Structural & Molecular Biology, 24(2), 123-130.
Grieben, M., Pike, A. C., Shintre, C. A., Venturi, E., El-Ajouz, S., Tessitore, A., … Carpenter, E. P. (2016). Structure of the polycystic kidney disease TRP channel Polycystin-2 (PC2). Nature Structural & Molecular Biology, 24(2), 114-122.
Igoe, N., Bayle, E. D., Fedorov, O., Tallant, C., Savitsky, P., Rogers, C., … Fish, P. V. (2017). Design of a Biased Potent Small Molecule Inhibitor of the Bromodomain and PHD Finger-Containing (BRPF) Proteins Suitable for Cellular and in Vivo Studies. Journal of Medicinal Chemistry, 60(2), 668-680.
Olzscha, H., Fedorov, O., Kessler, B. M., Knapp, S., La Thangue, N. B. (2017). CBP/p300 Bromodomains Regulate Amyloid-like Protein Aggregation upon Aberrant Lysine Acetylation. Cell Chemical Biology, 24(1), 9–23.
Moustakim, M., Clark, P. G. K., Trulli, L., Fuentes de Arriba, A. L., Ehebauer, M. T., Chaikuad, A., … Brennan, P. E. (2017). Discovery of a PCAF Bromodomain Chemical Probe. Angewandte Chemie (International Ed. in English), 56(3), 827–831.
Ciuffa, R., Caron, E., Leitner, A., Uliana, F., Gstaiger, M., Aebersold, R. (2017). Contribution of Mass Spectrometry-Based Proteomics to the Understanding of TNF-α Signaling. Journal of Proteome Research, 16(1), 14-33.
Fang, H., Knezevic, B., Burnham, K. L., Knight, J. C. (2016). XGR software for enhanced interpretation of genomic summary data, illustrated by application to immunological traits. Genome Medicine, 8, 129.
Popp, T. A., Tallant, C., Rogers, C., Fedorov, O., Brennan, P. E., Müller, S., … Bracher, F. (2016). Development of Selective CBP/P300 Benzoxazepine Bromodomain Inhibitors. Journal of Medicinal Chemistry, 59(19), 8889-8912.
Myrianthopoulos, V., Gaboriaud-Kolar, N., Tallant, C., Hall, M.-L., Grigoriou, S., Brownlee, P. M., … Mikros, E. (2016). Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis. Journal of Medicinal Chemistry, 59(19), 8787–8803.
Picaud, S., Leonards, K., Lambert, J.-P., Dovey, O., Wells, C., Fedorov, O., … Filippakopoulos, P. (2016). Promiscuous targeting of bromodomains by bromosporine identifies BET proteins as master regulators of primary transcription response in leukemia. Science Advances, 2(10), e1600760.
Hauri, S., Comoglio, F., Seimiya, M., Gerstung, M., Glatter, T., Hansen, K., … Beisel, C. (2016). A High-Density Map for Navigating the Human Polycomb Complexome. Cell Reports, 17(2), 583-595.
Milhas, S., Raux, B., Betzi, S., Derviaux, C., Roche, P., Restouin, A., … Morelli, X. (2016). Protein–Protein Interaction Inhibition (2P2I)-Oriented Chemical Library Accelerates Hit Discovery. ACS Chemical Biology, 11(8), 2140-2148.
Nowak, R., Tumber, A., Johansson, C., Che, K., Brennan, P., Owen, D., Oppermann, U. (2016). Advances and challenges in understanding histone demethylase biology. Current Opinion In Chemical Biology, 33, 151-159.
Montenegro, R. C., Clark, P. G. K., Howarth, A., Wan, X., Ceroni, A., Siejka, P., … Müller, S. (2016). BET inhibition as a new strategy for the treatment of gastric cancer. Oncotarget, 7(28), 43997–44012.
Johansson, C., Velupillai, S., Tumber, A., Szykowska, A., Hookway, E. S., Nowak, R. P., … Oppermann, U. (2016). Structural analysis of human KDM5B guides histone demethylase inhibitor development. Nature Chemical Biology, 12(7), 539-545.
Sdelci, S., Lardeau, C., Tallant, C., Klepsch, F., Klaiber, B., Bennett, J., … Kubicek, S. (2016). Mapping the chemical chromatin reactivation landscape identifies BRD4-TAF1 cross-talk. Nature Chemical Biology, 12(7), 504-510.
Mathea, S., Abdul Azeez, K. R., Salah, E., Tallant, C., Wolfreys, F., Konietzny, R., … Knapp, S. (2016). Structure of the Human Protein Kinase ZAK in Complex with Vemurafenib. ACS Chemical Biology, 11(6), 1595–1602.
Sutherell, C. L., Tallant, C., Monteiro, O. P., Yapp, C., Fuchs, J. E., Fedorov, O., … Ley, S. V. (2016). Identification and Development of 2,3-Dihydropyrrolo[1,2-a]quinazolin-5(1H)-one Inhibitors Targeting Bromodomains within the Switch/Sucrose Nonfermenting Complex. Journal of Medicinal Chemistry, 59(10), 5095–5101.
Martin, L. J., Koegl, M., Bader, G., Cockcroft, X.-L., Fedorov, O., Fiegen, D., … McConnell, D. (2016). Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor. Journal of Medicinal Chemistry, 59(10), 4462–4475.
Gerstenberger, B. S., Trzupek, J. D., Tallant, C., Fedorov, O., Filippakopoulos, P., Brennan, P. E., … Owen, D. R. (2016). Identification of a chemical probe for family VIII bromodomains through optimization of a fragment hit. Journal of Medicinal Chemistry, 59(10), 4800–4811.
Arshad, Z., Smith, J., Roberts, M., Lee, W. H., Davies, B., Bure, K., … Brindley, D. (2016). Open Access Could Transform Drug Discovery: A Case Study of JQ1. Expert Opinion on Drug Discovery, 11(3), 321-332.
Hammitzsch, A., Tallant, C., Fedorov, O., O’Mahony, A., Brennan, P. E., Hay, D. A., … Bowness, P. (2015). CBP30, a selective CBP/p300 bromodomain inhibitor, suppresses human Th17 responses. Proceedings of the National Academy of Sciences of the United States of America, 112(34), 10768–10773.
Arrowsmith, C. H., Audia, J. E., Austin, C., Baell, J., Bennett, J., Blagg, J., … Zuercher, W. J. (2015). The promise and peril of chemical probes. Nature chemical biology, 11(8), 536–541.
Edwards, A., Arrowsmith, C., Bountra, C., Bunnage, M., Feldmann, M., Knight, J., ... Young, L. (2015). Preclinical target validation using patient-derived cells. Nature Reviews Drug Discovery, 14(3), 149-150.
Knapp, S., Sundström, M. (2014). Recently targeted kinases and their inhibitors—the path to clinical trials. Current Opinion in Pharmacology, 17, 58-63.