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Reverse type I inhibitor of Mycobacterium tuberculosis CYP125A1.

Ouellet H, Kells PM, Ortiz de Montellano PR, Podust LM.

Bioorg Med Chem Lett. 2011 Jan 1;21(1):332-7. doi: 10.1016/j.bmcl.2010.11.007. Epub 2010 Nov 5.


Small-molecule scaffolds for CYP51 inhibitors identified by high-throughput screening and defined by X-ray crystallography.

Podust LM, von Kries JP, Eddine AN, Kim Y, Yermalitskaya LV, Kuehne R, Ouellet H, Warrier T, Alteköster M, Lee JS, Rademann J, Oschkinat H, Kaufmann SH, Waterman MR.

Antimicrob Agents Chemother. 2007 Nov;51(11):3915-23. Epub 2007 Sep 10.


Mycobacterium tuberculosis CYP130: crystal structure, biophysical characterization, and interactions with antifungal azole drugs.

Ouellet H, Podust LM, de Montellano PR.

J Biol Chem. 2008 Feb 22;283(8):5069-80. Epub 2007 Dec 18.


The Structure of Mycobacterium tuberculosis CYP125: molecular basis for cholesterol binding in a P450 needed for host infection.

McLean KJ, Lafite P, Levy C, Cheesman MR, Mast N, Pikuleva IA, Leys D, Munro AW.

J Biol Chem. 2009 Dec 18;284(51):35524-33. doi: 10.1074/jbc.M109.032706.


Drug modulation of water-heme interactions in low-spin P450 complexes of CYP2C9d and CYP125A1.

Conner KP, Cruce AA, Krzyaniak MD, Schimpf AM, Frank DJ, Ortiz de Montellano P, Atkins WM, Bowman MK.

Biochemistry. 2015 Feb 10;54(5):1198-207. doi: 10.1021/bi501402k. Epub 2015 Jan 29.


Substrate and reaction specificity of Mycobacterium tuberculosis cytochrome P450 CYP121: insights from biochemical studies and crystal structures.

Fonvielle M, Le Du MH, Lequin O, Lecoq A, Jacquet M, Thai R, Dubois S, Grach G, Gondry M, Belin P.

J Biol Chem. 2013 Jun 14;288(24):17347-59. doi: 10.1074/jbc.M112.443853. Epub 2013 Apr 25.


Characterization of active site structure in CYP121. A cytochrome P450 essential for viability of Mycobacterium tuberculosis H37Rv.

McLean KJ, Carroll P, Lewis DG, Dunford AJ, Seward HE, Neeli R, Cheesman MR, Marsollier L, Douglas P, Smith WE, Rosenkrands I, Cole ST, Leys D, Parish T, Munro AW.

J Biol Chem. 2008 Nov 28;283(48):33406-16. doi: 10.1074/jbc.M802115200. Epub 2008 Sep 24.


Substrate analog studies of the ω-regiospecificity of Mycobacterium tuberculosis cholesterol metabolizing cytochrome P450 enzymes CYP124A1, CYP125A1 and CYP142A1.

Johnston JB, Singh AA, Clary AA, Chen CK, Hayes PY, Chow S, De Voss JJ, Ortiz de Montellano PR.

Bioorg Med Chem. 2012 Jul 1;20(13):4064-81. doi: 10.1016/j.bmc.2012.05.003. Epub 2012 May 11.


X-ray structure of 4,4'-dihydroxybenzophenone mimicking sterol substrate in the active site of sterol 14alpha-demethylase (CYP51).

Eddine AN, von Kries JP, Podust MV, Warrier T, Kaufmann SH, Podust LM.

J Biol Chem. 2008 May 30;283(22):15152-9. doi: 10.1074/jbc.M801145200. Epub 2008 Mar 26.


Interaction of Mycobacterium tuberculosis CYP130 with heterocyclic arylamines.

Podust LM, Ouellet H, von Kries JP, de Montellano PR.

J Biol Chem. 2009 Sep 11;284(37):25211-9. doi: 10.1074/jbc.M109.017632. Epub 2009 Jul 15.


Mycobacterium tuberculosis CYP125A1, a steroid C27 monooxygenase that detoxifies intracellularly generated cholest-4-en-3-one.

Ouellet H, Guan S, Johnston JB, Chow ED, Kells PM, Burlingame AL, Cox JS, Podust LM, de Montellano PR.

Mol Microbiol. 2010 Aug;77(3):730-42. doi: 10.1111/j.1365-2958.2010.07243.x. Epub 2010 Jun 10.


Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1.

Chenge JT, Duyet LV, Swami S, McLean KJ, Kavanagh ME, Coyne AG, Rigby SE, Cheesman MR, Girvan HM, Levy CW, Rupp B, von Kries JP, Abell C, Leys D, Munro AW.

J Biol Chem. 2017 Jan 27;292(4):1310-1329. doi: 10.1074/jbc.M116.748822. Epub 2016 Dec 8.


Molecular determinants of inactivation of the resuscitation promoting factor B from Mycobacterium tuberculosis.

Ruggiero A, Marchant J, Squeglia F, Makarov V, De Simone A, Berisio R.

J Biomol Struct Dyn. 2013;31(2):195-205. doi: 10.1080/07391102.2012.698243. Epub 2012 Jul 25.


Structural biology and biochemistry of cytochrome P450 systems in Mycobacterium tuberculosis.

McLean KJ, Munro AW.

Drug Metab Rev. 2008;40(3):427-46. doi: 10.1080/03602530802186389 . Review.


Elucidation of Mycobacterium tuberculosis type II dehydroquinase inhibitors using a fragment elaboration strategy.

Tran AT, West NP, Britton WJ, Payne RJ.

ChemMedChem. 2012 Jun;7(6):1031-43. doi: 10.1002/cmdc.201100606. Epub 2012 Mar 27.


Mycobacterium tuberculosis cytochrome P450 enzymes: a cohort of novel TB drug targets.

Hudson SA, McLean KJ, Munro AW, Abell C.

Biochem Soc Trans. 2012 Jun 1;40(3):573-9. doi: 10.1042/BST20120062. Review.


Cholesterol Analogs with Degradation-resistant Alkyl Side Chains Are Effective Mycobacterium tuberculosis Growth Inhibitors.

Frank DJ, Zhao Y, Wong SH, Basudhar D, De Voss JJ, Ortiz de Montellano PR.

J Biol Chem. 2016 Apr 1;291(14):7325-33. doi: 10.1074/jbc.M115.708172. Epub 2016 Feb 1.


Cholesterol ester oxidation by mycobacterial cytochrome P450.

Frank DJ, Madrona Y, Ortiz de Montellano PR.

J Biol Chem. 2014 Oct 31;289(44):30417-25. doi: 10.1074/jbc.M114.602771. Epub 2014 Sep 10.


Azole antifungals are potent inhibitors of cytochrome P450 mono-oxygenases and bacterial growth in mycobacteria and streptomycetes.

McLean KJ, Marshall KR, Richmond A, Hunter IS, Fowler K, Kieser T, Gurcha SS, Besra GS, Munro AW.

Microbiology. 2002 Oct;148(Pt 10):2937-49.


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