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Items: 44

1.

Twenty years on: the impact of fragments on drug discovery.

Erlanson DA, Fesik SW, Hubbard RE, Jahnke W, Jhoti H.

Nat Rev Drug Discov. 2016 Sep;15(9):605-19. doi: 10.1038/nrd.2016.109. Epub 2016 Jul 15. Review.

PMID:
27417849
2.

Detection of secondary binding sites in proteins using fragment screening.

Ludlow RF, Verdonk ML, Saini HK, Tickle IJ, Jhoti H.

Proc Natl Acad Sci U S A. 2015 Dec 29;112(52):15910-5. doi: 10.1073/pnas.1518946112. Epub 2015 Dec 11.

3.

Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.

Saalau-Bethell SM, Berdini V, Cleasby A, Congreve M, Coyle JE, Lock V, Murray CW, O'Brien MA, Rich SJ, Sambrook T, Vinkovic M, Yon JR, Jhoti H.

ChemMedChem. 2014 Apr;9(4):823-32. doi: 10.1002/cmdc.201300480. Epub 2014 Feb 24.

4.

High-throughput screening and structure-based approaches to hit discovery: is there a clear winner?

Jhoti H, Rees S, Solari R.

Expert Opin Drug Discov. 2013 Dec;8(12):1449-53. doi: 10.1517/17460441.2013.857654. Epub 2013 Nov 9.

PMID:
24206191
5.

The 'rule of three' for fragment-based drug discovery: where are we now?

Jhoti H, Williams G, Rees DC, Murray CW.

Nat Rev Drug Discov. 2013 Aug;12(8):644-5. doi: 10.1038/nrd3926-c1. Epub 2013 Jul 12. No abstract available.

PMID:
23845999
6.

Discovery of an allosteric mechanism for the regulation of HCV NS3 protein function.

Saalau-Bethell SM, Woodhead AJ, Chessari G, Carr MG, Coyle J, Graham B, Hiscock SD, Murray CW, Pathuri P, Rich SJ, Richardson CJ, Williams PA, Jhoti H.

Nat Chem Biol. 2012 Nov;8(11):920-5. doi: 10.1038/nchembio.1081. Epub 2012 Sep 30.

7.

Crystal structure of human CDK4 in complex with a D-type cyclin.

Day PJ, Cleasby A, Tickle IJ, O'Reilly M, Coyle JE, Holding FP, McMenamin RL, Yon J, Chopra R, Lengauer C, Jhoti H.

Proc Natl Acad Sci U S A. 2009 Mar 17;106(11):4166-70. doi: 10.1073/pnas.0809645106. Epub 2009 Feb 23.

8.

Fragment-based drug discovery using rational design.

Jhoti H.

Ernst Schering Found Symp Proc. 2007;(3):169-85. Review.

PMID:
18510103
9.

Fragment-based screening using X-ray crystallography and NMR spectroscopy.

Jhoti H, Cleasby A, Verdonk M, Williams G.

Curr Opin Chem Biol. 2007 Oct;11(5):485-93. Epub 2007 Sep 11. Review.

PMID:
17851109
10.

A structural comparison of inhibitor binding to PKB, PKA and PKA-PKB chimera.

Davies TG, Verdonk ML, Graham B, Saalau-Bethell S, Hamlett CC, McHardy T, Collins I, Garrett MD, Workman P, Woodhead SJ, Jhoti H, Barford D.

J Mol Biol. 2007 Mar 30;367(3):882-94. Epub 2007 Jan 9.

PMID:
17275837
11.

Automated protein-ligand crystallography for structure-based drug design.

Mooij WT, Hartshorn MJ, Tickle IJ, Sharff AJ, Verdonk ML, Jhoti H.

ChemMedChem. 2006 Aug;1(8):827-38.

PMID:
16902937
12.

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
13.

The discovery of novel protein kinase inhibitors by using fragment-based high-throughput x-ray crystallography.

Gill A, Cleasby A, Jhoti H.

Chembiochem. 2005 Mar;6(3):506-12. Review.

PMID:
15696598
14.

A new school for screening.

Jhoti H.

Nat Biotechnol. 2005 Feb;23(2):184-6. No abstract available.

PMID:
15696146
15.

Identification of novel p38alpha MAP kinase inhibitors using fragment-based lead generation.

Gill AL, Frederickson M, Cleasby A, Woodhead SJ, Carr MG, Woodhead AJ, Walker MT, Congreve MS, Devine LA, Tisi D, O'Reilly M, Seavers LC, Davis DJ, Curry J, Anthony R, Padova A, Murray CW, Carr RA, Jhoti H.

J Med Chem. 2005 Jan 27;48(2):414-26.

PMID:
15658855
16.

Fragment-based lead discovery using X-ray crystallography.

Hartshorn MJ, Murray CW, Cleasby A, Frederickson M, Tickle IJ, Jhoti H.

J Med Chem. 2005 Jan 27;48(2):403-13.

PMID:
15658854
17.

High-throughput protein crystallography and drug discovery.

Tickle I, Sharff A, Vinkovic M, Yon J, Jhoti H.

Chem Soc Rev. 2004 Oct 20;33(8):558-65. Epub 2004 Sep 20.

PMID:
15480479
18.

Crystal structures of human cytochrome P450 3A4 bound to metyrapone and progesterone.

Williams PA, Cosme J, Vinkovic DM, Ward A, Angove HC, Day PJ, Vonrhein C, Tickle IJ, Jhoti H.

Science. 2004 Jul 30;305(5684):683-6. Epub 2004 Jul 15.

19.

A 'rule of three' for fragment-based lead discovery?

Congreve M, Carr R, Murray C, Jhoti H.

Drug Discov Today. 2003 Oct 1;8(19):876-7. No abstract available.

PMID:
14554012
20.

Detection of ligands from a dynamic combinatorial library by X-ray crystallography.

Congreve MS, Davis DJ, Devine L, Granata C, O'Reilly M, Wyatt PG, Jhoti H.

Angew Chem Int Ed Engl. 2003 Sep 29;42(37):4479-82. No abstract available.

PMID:
14520743
21.

Crystal structure of human cytochrome P450 2C9 with bound warfarin.

Williams PA, Cosme J, Ward A, Angove HC, Matak Vinković D, Jhoti H.

Nature. 2003 Jul 24;424(6947):464-8. Epub 2003 Jul 13.

PMID:
12861225
22.

High-throughput crystallography to enhance drug discovery.

Sharff A, Jhoti H.

Curr Opin Chem Biol. 2003 Jun;7(3):340-5. Review.

PMID:
12826121
23.

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
24.

High-throughput X-ray techniques and drug discovery.

Jhoti H.

Ernst Schering Res Found Workshop. 2003;(42):43-58. No abstract available.

PMID:
12664535
25.

High-throughput crystallography for lead discovery in drug design.

Blundell TL, Jhoti H, Abell C.

Nat Rev Drug Discov. 2002 Jan;1(1):45-54. Review.

PMID:
12119609
26.

Structure-based screening of low-affinity compounds.

Carr R, Jhoti H.

Drug Discov Today. 2002 May 1;7(9):522-7. Review.

PMID:
11983569
27.

High-throughput structural proteomics using x-rays.

Jhoti H.

Trends Biotechnol. 2001 Oct;19(10 Suppl):S67-71. Review.

PMID:
11780974
28.

Structural genomics: lessons to be learnt.

Jhoti H.

Drug Discov Today. 2001 Dec 15;6(24):1261-1262. No abstract available.

PMID:
11738966
29.

X-ray crystal structure of human dopamine sulfotransferase, SULT1A3. Molecular modeling and quantitative structure-activity relationship analysis demonstrate a molecular basis for sulfotransferase substrate specificity.

Dajani R, Cleasby A, Neu M, Wonacott AJ, Jhoti H, Hood AM, Modi S, Hersey A, Taskinen J, Cooke RM, Manchee GR, Coughtrie MW.

J Biol Chem. 1999 Dec 31;274(53):37862-8.

30.

Thrombin inhibitors based on [5,5] trans-fused indane lactams.

Pass M, Abu-Rabie S, Baxter A, Conroy R, Coote SJ, Craven AP, Finch H, Hindley S, Kelly HA, Lowdon AW, McDonald E, Mitchell WL, Pegg NA, Procopiou PA, Ramsden NG, Thomas R, Walker DA, Watson NS, Jhoti H, Mooney CJ, Tang CM, Thomas PJ, Parry S, Patel C.

Bioorg Med Chem Lett. 1999 Jun 21;9(12):1657-62.

PMID:
10397495
31.

Crystal structures of thrombin complexed to a novel series of synthetic inhibitors containing a 5,5-trans-lactone template.

Jhoti H, Cleasby A, Reid S, Thomas PJ, Weir M, Wonacott A.

Biochemistry. 1999 Jun 22;38(25):7969-77.

PMID:
10387040
32.

Novel natural product 5,5-trans-lactone inhibitors of human alpha-thrombin: mechanism of action and structural studies.

Weir MP, Bethell SS, Cleasby A, Campbell CJ, Dennis RJ, Dix CJ, Finch H, Jhoti H, Mooney CJ, Patel S, Tang CM, Ward M, Wonacott AJ, Wharton CW.

Biochemistry. 1998 May 12;37(19):6645-57.

PMID:
9578548
33.

Common themes and surprising differences in small G-proteins.

Tisi D, Teahan C, Greasley S, Bax B, Neu M, Jhoti H.

Biochem Soc Trans. 1997 Aug;25(3):989-91. Review. No abstract available.

PMID:
9388587
34.

Protein-protein interactions. Putting the pieces together.

Bax B, Jhoti H.

Curr Biol. 1995 Oct 1;5(10):1119-21. Review.

35.

The structure of rat ADP-ribosylation factor-1 (ARF-1) complexed to GDP determined from two different crystal forms.

Greasley SE, Jhoti H, Teahan C, Solari R, Fensome A, Thomas GM, Cockcroft S, Bax B.

Nat Struct Biol. 1995 Sep;2(9):797-806.

PMID:
7552752
36.

Crystallization and preliminary X-ray diffraction studies on ADP-ribosylation factor 1.

Greasley S, Jhoti H, Fensome AC, Cockcroft S, Thomas GM, Bax B.

J Mol Biol. 1994 Dec 16;244(5):651-3.

PMID:
7990146
37.

X-ray crystallographic studies of a series of penicillin-derived asymmetric inhibitors of HIV-1 protease.

Jhoti H, Singh OM, Weir MP, Cooke R, Murray-Rust P, Wonacott A.

Biochemistry. 1994 Jul 19;33(28):8417-27.

PMID:
8031777
38.

A series of penicillin-derived C2-symmetric inhibitors of HIV-1 proteinase: structural and modeling studies.

Wonacott A, Cooke R, Hayes FR, Hann MM, Jhoti H, McMeekin P, Mistry A, Murray-Rust P, Singh OM, Weir MP.

J Med Chem. 1993 Oct 15;36(21):3113-9.

PMID:
8230097
39.

The mechanism of iron uptake by transferrins: the structure of an 18 kDa NII-domain fragment from duck ovotransferrin at 2.3 A resolution.

Lindley PF, Bajaj M, Evans RW, Garratt RC, Hasnain SS, Jhoti H, Kuser P, Neu M, Patel K, Sarra R, Strange R, Walton A.

Acta Crystallogr D Biol Crystallogr. 1993 Mar 1;49(Pt 2):292-304.

PMID:
15299534
40.
41.

The epidermolytic toxins are serine proteases.

Dancer SJ, Garratt R, Saldanha J, Jhoti H, Evans R.

FEBS Lett. 1990 Jul 30;268(1):129-32.

42.

Molecular structure of serum transferrin at 3.3-A resolution.

Bailey S, Evans RW, Garratt RC, Gorinsky B, Hasnain S, Horsburgh C, Jhoti H, Lindley PF, Mydin A, Sarra R, et al.

Biochemistry. 1988 Jul 26;27(15):5804-12.

PMID:
3179277
43.

Crystallization and preliminary analysis of an 18,000 Mr fragment of duck ovotransferrin.

Jhoti H, Gorinsky B, Garratt RC, Lindley PF, Walton AR, Evans RW.

J Mol Biol. 1988 Mar 20;200(2):423-5.

PMID:
3373537
44.

Prothoracicotrophic hormone has an insulin-like tertiary structure.

Jhoti H, McLeod AN, Blundell TL, Ishizaki H, Nagasawa H, Suzuki A.

FEBS Lett. 1987 Jul 27;219(2):419-25.

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