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Items: 44

1.

High Proliferation Rate and a Compromised Spindle Assembly Checkpoint Confers Sensitivity to the MPS1 Inhibitor BOS172722 in Triple-Negative Breast Cancers.

Anderhub SJ, Mak GW, Gurden MD, Faisal A, Drosopoulos K, Walsh K, Woodward HL, Innocenti P, Westwood IM, Naud S, Hayes A, Theofani E, Filosto S, Saville H, Burke R, van Montfort RLM, Raynaud FI, Blagg J, Hoelder S, Eccles SA, Linardopoulos S.

Mol Cancer Ther. 2019 Oct;18(10):1696-1707. doi: 10.1158/1535-7163.MCT-18-1203.

PMID:
31575759
2.

Structural and functional characterisation of human RNA helicase DHX8 provides insights into the mechanism of RNA-stimulated ADP release.

Felisberto-Rodrigues C, Thomas JC, McAndrew C, Le Bihan YV, Burke R, Workman P, van Montfort RLM.

Biochem J. 2019 Sep 13;476(18):2521-2543. doi: 10.1042/BCJ20190383.

PMID:
31409651
3.

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.

Le Bihan YV, Lanigan RM, Atrash B, McLaughlin MG, Velupillai S, Malcolm AG, England KS, Ruda GF, Mok NY, Tumber A, Tomlin K, Saville H, Shehu E, McAndrew C, Carmichael L, Bennett JM, Jeganathan F, Eve P, Donovan A, Hayes A, Wood F, Raynaud FI, Fedorov O, Brennan PE, Burke R, van Montfort RLM, Rossanese OW, Blagg J, Bavetsias V.

Eur J Med Chem. 2019 Sep 1;177:316-337. doi: 10.1016/j.ejmech.2019.05.041. Epub 2019 May 17.

4.

Privileged Structures and Polypharmacology within and between Protein Families.

Meyers J, Chessum NEA, Ali S, Mok NY, Wilding B, Pasqua AE, Rowlands M, Tucker MJ, Evans LE, Rye CS, O'Fee L, Le Bihan YV, Burke R, Carter M, Workman P, Blagg J, Brown N, van Montfort RLM, Jones K, Cheeseman MD.

ACS Med Chem Lett. 2018 Nov 16;9(12):1199-1204. doi: 10.1021/acsmedchemlett.8b00364. eCollection 2018 Dec 13.

5.

Introduction of a Methyl Group Curbs Metabolism of Pyrido[3,4- d]pyrimidine Monopolar Spindle 1 (MPS1) Inhibitors and Enables the Discovery of the Phase 1 Clinical Candidate N2-(2-Ethoxy-4-(4-methyl-4 H-1,2,4-triazol-3-yl)phenyl)-6-methyl- N8-neopentylpyrido[3,4- d]pyrimidine-2,8-diamine (BOS172722).

Woodward HL, Innocenti P, Cheung KJ, Hayes A, Roberts J, Henley AT, Faisal A, Mak GW, Box G, Westwood IM, Cronin N, Carter M, Valenti M, De Haven Brandon A, O'Fee L, Saville H, Schmitt J, Burke R, Broccatelli F, van Montfort RLM, Raynaud FI, Eccles SA, Linardopoulos S, Blagg J, Hoelder S.

J Med Chem. 2018 Sep 27;61(18):8226-8240. doi: 10.1021/acs.jmedchem.8b00690. Epub 2018 Sep 10.

6.

Evaluation of APOBEC3B Recognition Motifs by NMR Reveals Preferred Substrates.

Liu M, Mallinger A, Tortorici M, Newbatt Y, Richards M, Mirza A, van Montfort RLM, Burke R, Blagg J, Kaserer T.

ACS Chem Biol. 2018 Sep 21;13(9):2427-2432. doi: 10.1021/acschembio.8b00639. Epub 2018 Aug 27.

7.

Synthesis and profiling of a 3-aminopyridin-2-one-based kinase targeted fragment library: Identification of 3-amino-5-(pyridin-4-yl)pyridin-2(1H)-one scaffold for monopolar spindle 1 (MPS1) and Aurora kinases inhibition.

Fearon D, Westwood IM, van Montfort RLM, Bayliss R, Jones K, Bavetsias V.

Bioorg Med Chem. 2018 Jul 15;26(11):3021-3029. doi: 10.1016/j.bmc.2018.04.033. Epub 2018 Apr 17.

8.

Structure-based drug design: aiming for a perfect fit.

van Montfort RLM, Workman P.

Essays Biochem. 2017 Nov 8;61(5):431-437. doi: 10.1042/EBC20170052. Print 2017 Nov 8. Review.

9.

An Irreversible Inhibitor of HSP72 that Unexpectedly Targets Lysine-56.

Pettinger J, Le Bihan YV, Widya M, van Montfort RL, Jones K, Cheeseman MD.

Angew Chem Int Ed Engl. 2017 Mar 20;56(13):3536-3540. doi: 10.1002/anie.201611907. Epub 2017 Feb 22.

10.

Synthesis of a Ribose-Incorporating Medium Ring Scaffold via a Challenging Ring-Closing Metathesis Reaction.

Rankin SS, Caldwell JJ, Cronin NB, van Montfort RL, Collins I.

European J Org Chem. 2016 Sep;2016(26):4496-4507. doi: 10.1002/ejoc.201600756. Epub 2016 Aug 15.

11.

Discovery of a Chemical Probe Bisamide (CCT251236): An Orally Bioavailable Efficacious Pirin Ligand from a Heat Shock Transcription Factor 1 (HSF1) Phenotypic Screen.

Cheeseman MD, Chessum NE, Rye CS, Pasqua AE, Tucker MJ, Wilding B, Evans LE, Lepri S, Richards M, Sharp SY, Ali S, Rowlands M, O'Fee L, Miah A, Hayes A, Henley AT, Powers M, Te Poele R, De Billy E, Pellegrino L, Raynaud F, Burke R, van Montfort RL, Eccles SA, Workman P, Jones K.

J Med Chem. 2017 Jan 12;60(1):180-201. doi: 10.1021/acs.jmedchem.6b01055. Epub 2016 Dec 22.

12.

A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.

Jones AM, Westwood IM, Osborne JD, Matthews TP, Cheeseman MD, Rowlands MG, Jeganathan F, Burke R, Lee D, Kadi N, Liu M, Richards M, McAndrew C, Yahya N, Dobson SE, Jones K, Workman P, Collins I, van Montfort RL.

Sci Rep. 2016 Oct 6;6:34701. doi: 10.1038/srep34701.

13.

Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives.

Tisi D, Chiarparin E, Tamanini E, Pathuri P, Coyle JE, Hold A, Holding FP, Amin N, Martin AC, Rich SJ, Berdini V, Yon J, Acklam P, Burke R, Drouin L, Harmer JE, Jeganathan F, van Montfort RL, Newbatt Y, Tortorici M, Westlake M, Wood A, Hoelder S, Heightman TD.

ACS Chem Biol. 2016 Nov 18;11(11):3093-3105. Epub 2016 Sep 27.

PMID:
27571355
14.

Multiparameter Lead Optimization to Give an Oral Checkpoint Kinase 1 (CHK1) Inhibitor Clinical Candidate: (R)-5-((4-((Morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737).

Osborne JD, Matthews TP, McHardy T, Proisy N, Cheung KM, Lainchbury M, Brown N, Walton MI, Eve PD, Boxall KJ, Hayes A, Henley AT, Valenti MR, De Haven Brandon AK, Box G, Jamin Y, Robinson SP, Westwood IM, van Montfort RL, Leonard PM, Lamers MB, Reader JC, Aherne GW, Raynaud FI, Eccles SA, Garrett MD, Collins I.

J Med Chem. 2016 Jun 9;59(11):5221-37. doi: 10.1021/acs.jmedchem.5b01938. Epub 2016 May 23.

15.

Exploiting Protein Conformational Change to Optimize Adenosine-Derived Inhibitors of HSP70.

Cheeseman MD, Westwood IM, Barbeau O, Rowlands M, Dobson S, Jones AM, Jeganathan F, Burke R, Kadi N, Workman P, Collins I, van Montfort RL, Jones K.

J Med Chem. 2016 May 26;59(10):4625-36. doi: 10.1021/acs.jmedchem.5b02001. Epub 2016 May 11.

16.

Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach.

Innocenti P, Woodward HL, Solanki S, Naud S, Westwood IM, Cronin N, Hayes A, Roberts J, Henley AT, Baker R, Faisal A, Mak GW, Box G, Valenti M, De Haven Brandon A, O'Fee L, Saville H, Schmitt J, Matijssen B, Burke R, van Montfort RL, Raynaud FI, Eccles SA, Linardopoulos S, Blagg J, Hoelder S.

J Med Chem. 2016 Apr 28;59(8):3671-88. doi: 10.1021/acs.jmedchem.5b01811. Epub 2016 Apr 7.

17.

8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.

Bavetsias V, Lanigan RM, Ruda GF, Atrash B, McLaughlin MG, Tumber A, Mok NY, Le Bihan YV, Dempster S, Boxall KJ, Jeganathan F, Hatch SB, Savitsky P, Velupillai S, Krojer T, England KS, Sejberg J, Thai C, Donovan A, Pal A, Scozzafava G, Bennett JM, Kawamura A, Johansson C, Szykowska A, Gileadi C, Burgess-Brown NA, von Delft F, Oppermann U, Walters Z, Shipley J, Raynaud FI, Westaway SM, Prinjha RK, Fedorov O, Burke R, Schofield CJ, Westwood IM, Bountra C, Müller S, van Montfort RL, Brennan PE, Blagg J.

J Med Chem. 2016 Feb 25;59(4):1388-409. doi: 10.1021/acs.jmedchem.5b01635. Epub 2016 Jan 7.

18.

Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance.

Gurden MD, Westwood IM, Faisal A, Naud S, Cheung KM, McAndrew C, Wood A, Schmitt J, Boxall K, Mak G, Workman P, Burke R, Hoelder S, Blagg J, Van Montfort RL, Linardopoulos S.

Cancer Res. 2015 Aug 15;75(16):3340-54. doi: 10.1158/0008-5472.CAN-14-3272. Epub 2015 Jul 22.

19.

Structure-based design of orally bioavailable 1H-pyrrolo[3,2-c]pyridine inhibitors of mitotic kinase monopolar spindle 1 (MPS1).

Naud S, Westwood IM, Faisal A, Sheldrake P, Bavetsias V, Atrash B, Cheung KM, Liu M, Hayes A, Schmitt J, Wood A, Choi V, Boxall K, Mak G, Gurden M, Valenti M, de Haven Brandon A, Henley A, Baker R, McAndrew C, Matijssen B, Burke R, Hoelder S, Eccles SA, Raynaud FI, Linardopoulos S, van Montfort RL, Blagg J.

J Med Chem. 2013 Dec 27;56(24):10045-65. doi: 10.1021/jm401395s. Epub 2013 Dec 2.

20.

The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design.

Couty S, Westwood IM, Kalusa A, Cano C, Travers J, Boxall K, Chow CL, Burns S, Schmitt J, Pickard L, Barillari C, McAndrew PC, Clarke PA, Linardopoulos S, Griffin RJ, Aherne GW, Raynaud FI, Workman P, Jones K, van Montfort RL.

Oncotarget. 2013 Oct;4(10):1647-61.

21.

Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases.

Allen CE, Chow CL, Caldwell JJ, Westwood IM, van Montfort RL, Collins I.

Bioorg Med Chem. 2013 Sep 15;21(18):5707-24. doi: 10.1016/j.bmc.2013.07.021. Epub 2013 Jul 19.

22.

Fragment-based screening maps inhibitor interactions in the ATP-binding site of checkpoint kinase 2.

Silva-Santisteban MC, Westwood IM, Boxall K, Brown N, Peacock S, McAndrew C, Barrie E, Richards M, Mirza A, Oliver AW, Burke R, Hoelder S, Jones K, Aherne GW, Blagg J, Collins I, Garrett MD, van Montfort RL.

PLoS One. 2013 Jun 12;8(6):e65689. doi: 10.1371/journal.pone.0065689. Print 2013.

23.

Scaffold-focused virtual screening: prospective application to the discovery of TTK inhibitors.

Langdon SR, Westwood IM, van Montfort RL, Brown N, Blagg J.

J Chem Inf Model. 2013 May 24;53(5):1100-12. doi: 10.1021/ci400100c. Epub 2013 May 14.

24.

Identification of autophosphorylation inhibitors of the inositol-requiring enzyme 1 alpha (IRE1α) by high-throughput screening using a DELFIA assay.

Newbatt Y, Hardcastle A, McAndrew PC, Strover JA, Mirza A, Morgan GJ, Burke R, Davies FE, Collins I, van Montfort RL.

J Biomol Screen. 2013 Mar;18(3):298-308. doi: 10.1177/1087057112465647. Epub 2012 Nov 8.

PMID:
23139381
25.

Benzimidazole inhibitors of the protein kinase CHK2: clarification of the binding mode by flexible side chain docking and protein-ligand crystallography.

Matijssen C, Silva-Santisteban MC, Westwood IM, Siddique S, Choi V, Sheldrake P, van Montfort RL, Blagg J.

Bioorg Med Chem. 2012 Nov 15;20(22):6630-9. doi: 10.1016/j.bmc.2012.09.024. Epub 2012 Sep 21.

26.

Structure-guided evolution of potent and selective CHK1 inhibitors through scaffold morphing.

Reader JC, Matthews TP, Klair S, Cheung KM, Scanlon J, Proisy N, Addison G, Ellard J, Piton N, Taylor S, Cherry M, Fisher M, Boxall K, Burns S, Walton MI, Westwood IM, Hayes A, Eve P, Valenti M, de Haven Brandon A, Box G, van Montfort RL, Williams DH, Aherne GW, Raynaud FI, Eccles SA, Garrett MD, Collins I.

J Med Chem. 2011 Dec 22;54(24):8328-42. doi: 10.1021/jm2007326. Epub 2011 Nov 23.

27.

Analysis of water patterns in protein kinase binding sites.

Barillari C, Duncan AL, Westwood IM, Blagg J, van Montfort RL.

Proteins. 2011 Jul;79(7):2109-21. doi: 10.1002/prot.23032. Epub 2011 May 9.

PMID:
21557316
28.

Benzimidazole inhibitors induce a DFG-out conformation of never in mitosis gene A-related kinase 2 (Nek2) without binding to the back pocket and reveal a nonlinear structure-activity relationship.

Solanki S, Innocenti P, Mas-Droux C, Boxall K, Barillari C, van Montfort RL, Aherne GW, Bayliss R, Hoelder S.

J Med Chem. 2011 Mar 24;54(6):1626-39. doi: 10.1021/jm1011726. Epub 2011 Mar 2.

PMID:
21366329
29.

Aminopyrazine inhibitors binding to an unusual inactive conformation of the mitotic kinase Nek2: SAR and structural characterization.

Whelligan DK, Solanki S, Taylor D, Thomson DW, Cheung KM, Boxall K, Mas-Droux C, Barillari C, Burns S, Grummitt CG, Collins I, van Montfort RL, Aherne GW, Bayliss R, Hoelder S.

J Med Chem. 2010 Nov 11;53(21):7682-98. doi: 10.1021/jm1008727.

30.

Unveiling the secrets of the ancestral PI3 kinase Vps34.

Workman P, van Montfort RL.

Cancer Cell. 2010 May 18;17(5):421-3. doi: 10.1016/j.ccr.2010.04.016.

31.

Targeting HSP70: the second potentially druggable heat shock protein and molecular chaperone?

Powers MV, Jones K, Barillari C, Westwood I, van Montfort RL, Workman P.

Cell Cycle. 2010 Apr 15;9(8):1542-50. Epub 2010 Apr 15.

PMID:
20372081
32.

Drugging the PI3 kinome: from chemical tools to drugs in the clinic.

Workman P, Clarke PA, Raynaud FI, van Montfort RL.

Cancer Res. 2010 Mar 15;70(6):2146-57. doi: 10.1158/0008-5472.CAN-09-4355. Epub 2010 Feb 23. Review.

33.

PI(3) kinases: revealing the delta lady.

Workman P, van Montfort RL.

Nat Chem Biol. 2010 Feb;6(2):82-3. doi: 10.1038/nchembio.305. No abstract available. Erratum in: Nat Chem Biol. 2010 Apr;6(4):306.

PMID:
20081818
34.

Fragment-based methods in drug discovery: it's the small things that matter.

van Montfort RL, Collins I.

Curr Top Med Chem. 2009;9(18):1676-7. No abstract available.

PMID:
20044917
35.

Structure-based design of molecular cancer therapeutics.

van Montfort RL, Workman P.

Trends Biotechnol. 2009 May;27(5):315-28. doi: 10.1016/j.tibtech.2009.02.003. Epub 2009 Mar 30. Review.

PMID:
19339067
36.

Insights into the conformational variability and regulation of human Nek2 kinase.

Westwood I, Cheary DM, Baxter JE, Richards MW, van Montfort RL, Fry AM, Bayliss R.

J Mol Biol. 2009 Feb 20;386(2):476-85. doi: 10.1016/j.jmb.2008.12.033. Epub 2008 Dec 24.

37.

Application of fragment screening and fragment linking to the discovery of novel thrombin inhibitors.

Howard N, Abell C, Blakemore W, Chessari G, Congreve M, Howard S, Jhoti H, Murray CW, Seavers LC, van Montfort RL.

J Med Chem. 2006 Feb 23;49(4):1346-55.

PMID:
16480269
38.

Crystal structure of truncated human betaB1-crystallin.

Van Montfort RL, Bateman OA, Lubsen NH, Slingsby C.

Protein Sci. 2003 Nov;12(11):2606-12.

39.

Oxidation state of the active-site cysteine in protein tyrosine phosphatase 1B.

van Montfort RL, Congreve M, Tisi D, Carr R, Jhoti H.

Nature. 2003 Jun 12;423(6941):773-7.

PMID:
12802339
40.

Crystal structure and assembly of a eukaryotic small heat shock protein.

van Montfort RL, Basha E, Friedrich KL, Slingsby C, Vierling E.

Nat Struct Biol. 2001 Dec;8(12):1025-30.

PMID:
11702068
42.

The structure of the Escherichia coli phosphotransferase IIAmannitol reveals a novel fold with two conformations of the active site.

van Montfort RL, Pijning T, Kalk KH, Hangyi I, Kouwijzer ML, Robillard GT, Dijkstra BW.

Structure. 1998 Mar 15;6(3):377-88.

43.

The structure of an energy-coupling protein from bacteria, IIBcellobiose, reveals similarity to eukaryotic protein tyrosine phosphatases.

van Montfort RL, Pijning T, Kalk KH, Reizer J, Saier MH Jr, Thunnissen MM, Robillard GT, Dijkstra BW.

Structure. 1997 Feb 15;5(2):217-25.

44.

Crystallization of enzyme IIB of the cellobiose-specific phosphotransferase system of Escherichia coli.

van Montfort RL, Pijning T, Kalk KH, Schuurman-Wolters GK, Reizer J, Saier MH Jr, Robillard G, Dijkstra BW.

J Mol Biol. 1994 Jun 17;239(4):588-90.

PMID:
8006971

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