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Poulos, Thomas

TitleChancellor's Professor
InstitutionUniversity of California, Irvine
DepartmentMolecular Biology & Biochem
Address2206 Natural Sciences 1
Zot 3900
CA 92697
Phone(949) 824-7020, 4322, 2856
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    Collapse Research 
    Collapse Research Activities and Funding
    Training Program in Chemical and Structural Biology
    NIH/NIGMS T32GM108561Jul 1, 2014 - Jun 30, 2019
    Role: Principal Investigator
    Acquisition of a Bruker X8 Prospector Protein X-ray Crystallography System
    NIH/NCRR S10RR024679May 7, 2009 - May 6, 2010
    Role: Principal Investigator
    Nitroxyl adducts as structural probes of oxygenase/substrate interactions
    NIH/NIEHS R21ES016441Jan 1, 2008 - Dec 31, 2009
    Role: Principal Investigator
    Structural Studies on Nitric Oxide Synthase
    NIH/NIGMS R01GM057353May 1, 1998 - Aug 31, 2019
    Role: Principal Investigator
    7 FE FDI AS A MODEL FE-S AND REGULATORY PROTEIN
    NIH/NIGMS R01GM045209Jan 1, 1991 - Dec 31, 2003
    Role: Principal Investigator
    NITROGENASE MECHANISM AND ASSEMBLY
    NIH/NIGMS R01GM043144Dec 1, 1989 - Mar 31, 2004
    Role: Principal Investigator
    Diversity in Heme Protein Structure and Function
    NIH/NIGMS R01GM042614Jul 1, 1989 - Mar 31, 2017
    Role: Principal Investigator
    Structural Studies on Cytochromes P450 and Related Proteins
    NIH/NIGMS R01GM033688Mar 1, 1985 - Nov 30, 2014
    Role: Principal Investigator
    X-RAY STUDIES OF PROTEIN STRUCTURE
    NIH/NIGMS R01GM033325Aug 1, 1983 - Jul 31, 1986
    Role: Principal Investigator

    Collapse Bibliographic 
    Collapse Publications
    Publications listed below are automatically derived from MEDLINE/PubMed and other sources, which might result in incorrect or missing publications. Researchers can login to make corrections and additions, or contact us for help.
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    1. Lewis-Ballester A, Karkashon S, Batabyal D, Poulos T, Yeh SR. Inhibition Mechanisms of Human Indoleamine 2,3 Dioxygenase 1. J Am Chem Soc. 2018 Jun 13. PMID: 29897749.
      View in: PubMed
    2. Tripathi S, Poulos T. Testing the N-Terminal Velcro Model of CooA Carbon Monoxide Activation. Biochemistry. 2018 May 11. PMID: 29708736.
      View in: PubMed
    3. Batabyal D, Poulos T. Effect of redox partner binding on CYP101D1 conformational dynamics. J Inorg Biochem. 2018 Jun; 183:179-183. PMID: 29550100.
      View in: PubMed
    4. Lewis-Ballester A, Pham KN, Batabyal D, Karkashon S, Bonanno JB, Poulos T, Yeh SR. Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1. Nat Commun. 2017 Nov 22; 8(1):1693. PMID: 29167421.
      View in: PubMed
    5. Do HT, Wang HY, Li H, Chreifi G, Poulos T, Silverman RB. Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker. J Med Chem. 2017 Nov 22; 60(22):9360-9375. PMID: 29091437.
      View in: PubMed
    6. Benabbas A, Sun Y, Poulos T, Champion PM. Ultrafast CO Kinetics in Heme Proteins: Adiabatic Ligand Binding and Heavy Atom Tunneling. J Am Chem Soc. 2017 11 08; 139(44):15738-15747. PMID: 28984134.
      View in: PubMed
    7. Guo Z, Sevrioukova IF, Denisov IG, Zhang X, Chiu TL, Thomas DG, Hanse EA, Cuellar RAD, Grinkova YV, Langenfeld VW, Swedien DS, Stamschror JD, Alvarez J, Luna F, Galván A, Bae YK, Wulfkuhle JD, Gallagher RI, Petricoin EF, Norris B, Flory CM, Schumacher RJ, O'Sullivan MG, Cao Q, Chu H, Lipscomb JD, Atkins WM, Gupta K, Kelekar A, Blair IA, Capdevila JH, Falck JR, Sligar SG, Poulos T, Georg GI, Ambrose E, Potter DA. Heme Binding Biguanides Target Cytochrome P450-Dependent Cancer Cell Mitochondria. Cell Chem Biol. 2017 Oct 19; 24(10):1314. PMID: 29053951.
      View in: PubMed
    8. Guo Z, Sevrioukova IF, Denisov IG, Zhang X, Chiu TL, Thomas DG, Hanse EA, Cuellar RAD, Grinkova YV, Langenfeld VW, Swedien DS, Stamschror JD, Alvarez J, Luna F, Galván A, Bae YK, Wulfkuhle JD, Gallagher RI, Petricoin EF, Norris B, Flory CM, Schumacher RJ, O'Sullivan MG, Cao Q, Chu H, Lipscomb JD, Atkins WM, Gupta K, Kelekar A, Blair IA, Capdevila JH, Falck JR, Sligar SG, Poulos T, Georg GI, Ambrose E, Potter DA. Heme Binding Biguanides Target Cytochrome P450-Dependent Cancer Cell Mitochondria. Cell Chem Biol. 2017 Oct 19; 24(10):1259-1275.e6. PMID: 28919040.
      View in: PubMed
    9. Hollingsworth SA, Nguyen BD, Chreifi G, Arce AP, Poulos T. Insights into the Dynamics and Dissociation Mechanism of a Protein Redox Complex Using Molecular Dynamics. J Chem Inf Model. 2017 09 25; 57(9):2344-2350. PMID: 28841378.
      View in: PubMed
    10. Batabyal D, Richards LS, Poulos T. Effect of Redox Partner Binding on Cytochrome P450 Conformational Dynamics. J Am Chem Soc. 2017 09 20; 139(37):13193-13199. PMID: 28823160.
      View in: PubMed
    11. Pensa AV, Cinelli MA, Li H, Chreifi G, Mukherjee P, Roman LJ, Martásek P, Poulos T, Silverman RB. Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors. J Med Chem. 2017 Aug 24; 60(16):7146-7165. PMID: 28776992.
      View in: PubMed
    12. Meneghini LM, Tripathi S, Woodworth MA, Majumdar S, Poulos T, Weiss GA. Dissecting binding of a ß-barrel membrane protein by phage display. Mol Biosyst. 2017 Jul 25; 13(8):1438-1447. PMID: 28627567.
      View in: PubMed
    13. Chreifi G, Dejam D, Poulos T. Crystal structure and functional analysis of Leishmania major pseudoperoxidase. J Biol Inorg Chem. 2017 Aug; 22(6):919-927. PMID: 28584975.
      View in: PubMed
    14. Cinelli MA, Li H, Chreifi G, Poulos T, Silverman RB. Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors. J Med Chem. 2017 May 11; 60(9):3958-3978. PMID: 28422508.
      View in: PubMed
    15. Sevrioukova IF, Poulos T. Structural basis for regiospecific midazolam oxidation by human cytochrome P450 3A4. Proc Natl Acad Sci U S A. 2017 01 17; 114(3):486-491. PMID: 28031486.
      View in: PubMed
    16. Poulos T, Li H. Nitric oxide synthase and structure-based inhibitor design. Nitric Oxide. 2017 Feb 28; 63:68-77. PMID: 27890696.
      View in: PubMed
    17. Batabyal D, Lewis-Ballester A, Yeh SR, Poulos T. A Comparative Analysis of the Effector Role of Redox Partner Binding in Bacterial P450s. Biochemistry. 2016 Nov 29; 55(47):6517-6523. PMID: 27808504.
      View in: PubMed
    18. Holden JK, Lewis MC, Cinelli MA, Abdullatif Z, Pensa AV, Silverman RB, Poulos T. Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-Based Inhibitors. Biochemistry. 2016 Oct 04; 55(39):5587-5594. PMID: 27607918.
      View in: PubMed
    19. Hollingsworth SA, Batabyal D, Nguyen BD, Poulos T. Conformational selectivity in cytochrome P450 redox partner interactions. Proc Natl Acad Sci U S A. 2016 08 02; 113(31):8723-8. PMID: 27439869; PMCID: PMC4978276 [Available on 02/02/17].
    20. Li H, Wang HY, Kang S, Silverman RB, Poulos T. Electrostatic Control of Isoform Selective Inhibitor Binding in Nitric Oxide Synthase. Biochemistry. 2016 07 05; 55(26):3702-7. PMID: 27250740.
      View in: PubMed
    21. Wang HY, Qin Y, Li H, Roman LJ, Martásek P, Poulos T, Silverman RB. Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker. J Med Chem. 2016 05 26; 59(10):4913-25. PMID: 27050842; PMCID: PMC4882237 [Available on 05/26/17].
    22. Cinelli MA, Li H, Pensa AV, Kang S, Roman LJ, Martásek P, Poulos T, Silverman RB. Correction to Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J Med Chem. 2016 Feb 11; 59(3):1246. PMID: 26807481; PMCID: PMC4957696.
    23. Chreifi G, Baxter EL, Doukov T, Cohen AE, McPhillips SE, Song J, Meharenna YT, Soltis SM, Poulos T. Crystal structure of the pristine peroxidase ferryl center and its relevance to proton-coupled electron transfer. Proc Natl Acad Sci U S A. 2016 Feb 02; 113(5):1226-31. PMID: 26787871; PMCID: PMC4747753.
    24. Fields JB, Hollingsworth SA, Chreifi G, Heyden M, Arce AP, Magaña-Garcia HI, Poulos T, Tobias DJ. "Bind and Crawl" Association Mechanism of Leishmania major Peroxidase and Cytochrome c Revealed by Brownian and Molecular Dynamics Simulations. Biochemistry. 2015 Dec 15; 54(49):7272-82. PMID: 26598276.
      View in: PubMed
    25. Cinelli MA, Li H, Pensa AV, Kang S, Roman LJ, Martásek P, Poulos T, Silverman RB. Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J Med Chem. 2015 Nov 12; 58(21):8694-712. PMID: 26469213; PMCID: PMC4644118 [Available on 11/12/16].
    26. Hollingsworth SA, Holden JK, Li H, Poulos T. Elucidating nitric oxide synthase domain interactions by molecular dynamics. Protein Sci. 2016 Feb; 25(2):374-82. PMID: 26448477; PMCID: PMC4815339.
    27. Kaur P, Chamberlin AR, Poulos T, Sevrioukova IF. Structure-Based Inhibitor Design for Evaluation of a CYP3A4 Pharmacophore Model. J Med Chem. 2016 05 12; 59(9):4210-20. PMID: 26371436; PMCID: PMC4998966.
    28. Kang S, Li H, Tang W, Martásek P, Roman LJ, Poulos T, Silverman RB. 2-Aminopyridines with a Truncated Side Chain To Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity. J Med Chem. 2015 Jul 23; 58(14):5548-60. PMID: 26120733; PMCID: PMC4514563.
    29. Holden JK, Dejam D, Lewis MC, Huang H, Kang S, Jing Q, Xue F, Silverman RB, Poulos T. Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry. 2015 Jul 07; 54(26):4075-82. PMID: 26062720; PMCID: PMC4860011.
    30. Sevrioukova IF, Poulos T. Anion-Dependent Stimulation of CYP3A4 Monooxygenase. Biochemistry. 2015 Jul 07; 54(26):4083-96. PMID: 26066995.
      View in: PubMed
    31. Holden JK, Kang S, Beasley FC, Cinelli MA, Li H, Roy SG, Dejam D, Edinger AL, Nizet V, Silverman RB, Poulos T. Nitric Oxide Synthase as a Target for Methicillin-Resistant Staphylococcus aureus. Chem Biol. 2015 Jun 18; 22(6):785-92. PMID: 26091171; PMCID: PMC4475277.
    32. Astashkin AV, Chen L, Elmore BO, Kunwar D, Miao Y, Li H, Poulos T, Roman LJ, Feng C. Probing the Hydrogen Bonding of the Ferrous-NO Heme Center of nNOS by Pulsed Electron Paramagnetic Resonance. J Phys Chem A. 2015 Jun 25; 119(25):6641-9. PMID: 26035438; PMCID: PMC4533915.
    33. Chreifi G, Hollingsworth SA, Li H, Tripathi S, Arce AP, Magaña-Garcia HI, Poulos T. Enzymatic Mechanism of Leishmania major Peroxidase and the Critical Role of Specific Ionic Interactions. Biochemistry. 2015 Jun 02; 54(21):3328-36. PMID: 25941976; PMCID: PMC4533909.
    34. Tang W, Li H, Doud EH, Chen Y, Choing S, Plaza C, Kelleher NL, Poulos T, Silverman RB. Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(methylthio)acetimidamido)pentanoic Acid. J Am Chem Soc. 2015 May 13; 137(18):5980-9. PMID: 25874809; PMCID: PMC4431946.
    35. Tang W, Li H, Poulos T, Silverman RB. Mechanistic studies of inactivation of inducible nitric oxide synthase by amidines. Biochemistry. 2015 Apr 21; 54(15):2530-8. PMID: 25811913; PMCID: PMC4410366.
    36. Kaluka D, Batabyal D, Chiang BY, Poulos T, Yeh SR. Spectroscopic and mutagenesis studies of human PGRMC1. Biochemistry. 2015 Mar 03; 54(8):1638-47. PMID: 25675345; PMCID: PMC4533898.
    37. Holden JK, Kang S, Hollingsworth SA, Li H, Lim N, Chen S, Huang H, Xue F, Tang W, Silverman RB, Poulos T. Structure-based design of bacterial nitric oxide synthase inhibitors. J Med Chem. 2015 Jan 22; 58(2):994-1004. PMID: 25522110.
      View in: PubMed
    38. Sevrioukova IF, Poulos T. Current Approaches for Investigating and Predicting Cytochrome P450 3A4-Ligand Interactions. Adv Exp Med Biol. 2015; 851:83-105. PMID: 26002732; PMCID: PMC4532289.
    39. Mukherjee P, Li H, Sevrioukova I, Chreifi G, Martásek P, Roman LJ, Poulos T, Silverman RB. Novel 2,4-disubstituted pyrimidines as potent, selective, and cell-permeable inhibitors of neuronal nitric oxide synthase. J Med Chem. 2015 Feb 12; 58(3):1067-88. PMID: 25489882; PMCID: PMC4329833.
    40. Hollingsworth SA, Poulos T. Molecular dynamics of the P450cam-Pdx complex reveals complex stability and novel interface contacts. Protein Sci. 2015 Jan; 24(1):49-57. PMID: 25307478; PMCID: PMC4282411.
    41. Li H, Jamal J, Plaza C, Pineda SH, Chreifi G, Jing Q, Cinelli MA, Silverman RB, Poulos T. Structures of human constitutive nitric oxide synthases. Acta Crystallogr D Biol Crystallogr. 2014 Oct; 70(Pt 10):2667-74. PMID: 25286850; PMCID: PMC4188008.
    42. Holden JK, Lim N, Poulos T. Identification of redox partners and development of a novel chimeric bacterial nitric oxide synthase for structure activity analyses. J Biol Chem. 2014 Oct 17; 289(42):29437-45. PMID: 25194416; PMCID: PMC4200291.
    43. Jing Q, Li H, Roman LJ, Martásek P, Poulos T, Silverman RB. Combination of chiral linkers with thiophenecarboximidamide heads to improve the selectivity of inhibitors of neuronal nitric oxide synthase. Bioorg Med Chem Lett. 2014 Sep 15; 24(18):4504-4510. PMID: 25149509; PMCID: PMC4204799.
    44. Li H, Jamal J, Delker S, Plaza C, Ji H, Jing Q, Huang H, Kang S, Silverman RB, Poulos T. The mobility of a conserved tyrosine residue controls isoform-dependent enzyme-inhibitor interactions in nitric oxide synthases. Biochemistry. 2014 Aug 19; 53(32):5272-9. PMID: 25089924; PMCID: PMC4139154.
    45. Astashkin AV, Chen L, Zhou X, Li H, Poulos T, Liu KJ, Guillemette JG, Feng C. Pulsed electron paramagnetic resonance study of domain docking in neuronal nitric oxide synthase: the calmodulin and output state perspective. J Phys Chem A. 2014 Aug 28; 118(34):6864-72. PMID: 25046446; PMCID: PMC4148148.
    46. Chreifi G, Li H, McInnes CR, Gibson CL, Suckling CJ, Poulos T. Communication between the zinc and tetrahydrobiopterin binding sites in nitric oxide synthase. Biochemistry. 2014 Jul 01; 53(25):4216-23. PMID: 24819538; PMCID: PMC4082377.
    47. Kang S, Tang W, Li H, Chreifi G, Martásek P, Roman LJ, Poulos T, Silverman RB. Nitric oxide synthase inhibitors that interact with both heme propionate and tetrahydrobiopterin show high isoform selectivity. J Med Chem. 2014 May 22; 57(10):4382-96. PMID: 24758147; PMCID: PMC4032192.
    48. Madrona Y, Hollingsworth SA, Tripathi S, Fields JB, Rwigema JC, Tobias DJ, Poulos T. Crystal structure of cindoxin, the P450cin redox partner. Biochemistry. 2014 Mar 11; 53(9):1435-46. PMID: 24533927; PMCID: PMC3985796.
    49. Cinelli MA, Li H, Chreifi G, Martásek P, Roman LJ, Poulos T, Silverman RB. Simplified 2-aminoquinoline-based scaffold for potent and selective neuronal nitric oxide synthase inhibition. J Med Chem. 2014 Feb 27; 57(4):1513-30. PMID: 24472039; PMCID: PMC3954451.
    50. Huang H, Li H, Yang S, Chreifi G, Martásek P, Roman LJ, Meyskens FL, Poulos T, Silverman RB. Potent and selective double-headed thiophene-2-carboximidamide inhibitors of neuronal nitric oxide synthase for the treatment of melanoma. J Med Chem. 2014 Feb 13; 57(3):686-700. PMID: 24447275; PMCID: PMC3983353.
    51. Jing Q, Li H, Roman LJ, Martásek P, Poulos T, Silverman RB. An Accessible Chiral Linker to Enhance Potency and Selectivity of Neuronal Nitric Oxide Synthase Inhibitors. ACS Med Chem Lett. 2014 Jan 09; 5(1):56-60. PMID: 24660051.
      View in: PubMed
    52. Poulos T. Heme enzyme structure and function. Chem Rev. 2014 Apr 09; 114(7):3919-62. PMID: 24400737; PMCID: PMC3981943.
    53. Sevrioukova IF, Poulos T. Ritonavir analogues as a probe for deciphering the cytochrome P450 3A4 inhibitory mechanism. Curr Top Med Chem. 2014; 14(11):1348-55. PMID: 24805065; PMCID: PMC4530633.
    54. Batabyal D, Poulos T. Crystal structures and functional characterization of wild-type CYP101D1 and its active site mutants. Biochemistry. 2013 Dec 10; 52(49):8898-906. PMID: 24261604; PMCID: PMC3946301.
    55. Holden JK, Li H, Jing Q, Kang S, Richo J, Silverman RB, Poulos T. Structural and biological studies on bacterial nitric oxide synthase inhibitors. Proc Natl Acad Sci U S A. 2013 Nov 05; 110(45):18127-31. PMID: 24145412; PMCID: PMC3831449.
    56. Jing Q, Li H, Chreifi G, Roman LJ, Martásek P, Poulos T, Silverman RB. Chiral linkers to improve selectivity of double-headed neuronal nitric oxide synthase inhibitors. Bioorg Med Chem Lett. 2013 Oct 15; 23(20):5674-9. PMID: 23993333; PMCID: PMC3790268.
    57. Batabyal D, Li H, Poulos T. Synergistic effects of mutations in cytochrome P450cam designed to mimic CYP101D1. Biochemistry. 2013 Aug 13; 52(32):5396-402. PMID: 23865948; PMCID: PMC3790332.
    58. Tripathi S, O'Neill MJ, Wilks A, Poulos T. Crystal structure of the Pseudomonas aeruginosa cytoplasmic heme binding protein, Apo-PhuS. J Inorg Biochem. 2013 Nov; 128:131-6. PMID: 23973453; PMCID: PMC3843485.
    59. Madrona Y, Hollingsworth SA, Khan B, Poulos T. P450cin active site water: implications for substrate binding and solvent accessibility. Biochemistry. 2013 Jul 30; 52(30):5039-50. PMID: 23829586; PMCID: PMC3790324.
    60. Sevrioukova IF, Poulos T. Dissecting cytochrome P450 3A4-ligand interactions using ritonavir analogues. Biochemistry. 2013 Jul 02; 52(26):4474-81. PMID: 23746300.
      View in: PubMed
    61. Jing Q, Li H, Fang J, Roman LJ, Martásek P, Poulos T, Silverman RB. In search of potent and selective inhibitors of neuronal nitric oxide synthase with more simple structures. Bioorg Med Chem. 2013 Sep 01; 21(17):5323-31. PMID: 23867386; PMCID: PMC3760172.
    62. Tripathi S, Li H, Poulos T. Structural basis for effector control and redox partner recognition in cytochrome P450. Science. 2013 Jun 07; 340(6137):1227-30. PMID: 23744947.
      View in: PubMed
    63. Sevrioukova IF, Poulos T. Pyridine-substituted desoxyritonavir is a more potent inhibitor of cytochrome P450 3A4 than ritonavir. J Med Chem. 2013 May 09; 56(9):3733-41. PMID: 23586711; PMCID: PMC4534002.
    64. Jansen Labby K, Li H, Roman LJ, Martásek P, Poulos T, Silverman RB. Methylated N(?)-hydroxy-L-arginine analogues as mechanistic probes for the second step of the nitric oxide synthase-catalyzed reaction. Biochemistry. 2013 May 07; 52(18):3062-73. PMID: 23586781; PMCID: PMC3678535.
    65. Huang H, Li H, Martásek P, Roman LJ, Poulos T, Silverman RB. Structure-guided design of selective inhibitors of neuronal nitric oxide synthase. J Med Chem. 2013 Apr 11; 56(7):3024-32. PMID: 23451760; PMCID: PMC3632207.
    66. Li H, Jamal J, Chreifi G, Venkatesh V, Abou-Ziab H, Poulos T. Dissecting the kinetics of the NADP(+)-FADH2 charge transfer complex and flavin semiquinones in neuronal nitric oxide synthase. J Inorg Biochem. 2013 Jul; 124:1-10. PMID: 23567464; PMCID: PMC3716911.
    67. Li H, Li C, Zhou S, Poulos T, Gershon PD. Domain-level rocking motion within a polymerase that translocates on single-stranded nucleic acid. Acta Crystallogr D Biol Crystallogr. 2013 Apr; 69(Pt 4):617-24. PMID: 23519670; PMCID: PMC3606039.
    68. Yang Z, Misner B, Ji H, Poulos T, Silverman RB, Meyskens FL, Yang S. Targeting nitric oxide signaling with nNOS inhibitors as a novel strategy for the therapy and prevention of human melanoma. Antioxid Redox Signal. 2013 Aug 10; 19(5):433-47. PMID: 23199242; PMCID: PMC3704054.
    69. Poulos T, Madrona Y. Oxygen activation and redox partner binding in cytochromes P450. Biotechnol Appl Biochem. 2013 Jan-Feb; 60(1):128-33. PMID: 23587000.
      View in: PubMed
    70. Li H, Xue F, Kraus JM, Ji H, Labby KJ, Mataka J, Delker SL, Martásek P, Roman LJ, Poulos T, Silverman RB. Cyclopropyl- and methyl-containing inhibitors of neuronal nitric oxide synthase. Bioorg Med Chem. 2013 Mar 01; 21(5):1333-43. PMID: 23352768; PMCID: PMC3574199.
    71. Salerno JC, Ray K, Poulos T, Li H, Ghosh DK. Calmodulin activates neuronal nitric oxide synthase by enabling transitions between conformational states. FEBS Lett. 2013 Jan 04; 587(1):44-7. PMID: 23159936.
      View in: PubMed
    72. Jasion VS, Doukov T, Pineda SH, Li H, Poulos T. Crystal structure of the Leishmania major peroxidase-cytochrome c complex. Proc Natl Acad Sci U S A. 2012 Nov 06; 109(45):18390-4. PMID: 23100535; PMCID: PMC3494967.
    73. Martell JD, Deerinck TJ, Sancak Y, Poulos T, Mootha VK, Sosinsky GE, Ellisman MH, Ting AY. Engineered ascorbate peroxidase as a genetically encoded reporter for electron microscopy. Nat Biotechnol. 2012 Nov; 30(11):1143-8. PMID: 23086203; PMCID: PMC3699407.
    74. Poulos T, Li H. Structural basis for isoform-selective inhibition in nitric oxide synthase. Acc Chem Res. 2013 Feb 19; 46(2):390-8. PMID: 23030042; PMCID: PMC3835173.
    75. Jensen LM, Meharenna YT, Davidson VL, Poulos T, Hedman B, Wilmot CM, Sarangi R. Geometric and electronic structures of the His-Fe(IV)=O and His-Fe(IV)-Tyr hemes of MauG. J Biol Inorg Chem. 2012 Dec; 17(8):1241-55. PMID: 23053529; PMCID: PMC3508316.
    76. Sevrioukova IF, Poulos T. Understanding the mechanism of cytochrome P450 3A4: recent advances and remaining problems. Dalton Trans. 2013 Mar 07; 42(9):3116-26. PMID: 23018626; PMCID: PMC3787833.
    77. Madrona Y, Tripathi S, Li H, Poulos T. Crystal structures of substrate-free and nitrosyl cytochrome P450cin: implications for O(2) activation. Biochemistry. 2012 Aug 21; 51(33):6623-31. PMID: 22775403; PMCID: PMC3823376.
    78. Huang H, Ji H, Li H, Jing Q, Labby KJ, Martásek P, Roman LJ, Poulos T, Silverman RB. Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations. J Am Chem Soc. 2012 Jul 18; 134(28):11559-72. PMID: 22731813; PMCID: PMC3399929.
    79. Benabbas A, Karunakaran V, Youn H, Poulos T, Champion PM. Effect of DNA binding on geminate CO recombination kinetics in CO-sensing transcription factor CooA. J Biol Chem. 2012 Jun 22; 287(26):21729-40. PMID: 22544803; PMCID: PMC3381135.
    80. Jasion VS, Poulos T. Leishmania major peroxidase is a cytochrome c peroxidase. Biochemistry. 2012 Mar 27; 51(12):2453-60. PMID: 22372542; PMCID: PMC3799847.
    81. Sevrioukova IF, Poulos T. Interaction of human cytochrome P4503A4 with ritonavir analogs. Arch Biochem Biophys. 2012 Apr 15; 520(2):108-16. PMID: 22410611; PMCID: PMC3606017.
    82. Labby KJ, Xue F, Kraus JM, Ji H, Mataka J, Li H, Martásek P, Roman LJ, Poulos T, Silverman RB. Intramolecular hydrogen bonding: a potential strategy for more bioavailable inhibitors of neuronal nitric oxide synthase. Bioorg Med Chem. 2012 Apr 01; 20(7):2435-43. PMID: 22370337; PMCID: PMC3303928.
    83. Sevrioukova IF, Poulos T. Structural and mechanistic insights into the interaction of cytochrome P4503A4 with bromoergocryptine, a type I ligand. J Biol Chem. 2012 Jan 27; 287(5):3510-7. PMID: 22157006; PMCID: PMC3271004.
    84. Xue F, Kraus JM, Labby KJ, Ji H, Mataka J, Xia G, Li H, Delker SL, Roman LJ, Martásek P, Poulos T, Silverman RB. Improved synthesis of chiral pyrrolidine inhibitors and their binding properties to neuronal nitric oxide synthase. J Med Chem. 2011 Sep 22; 54(18):6399-403. PMID: 21809851; PMCID: PMC3174355.
    85. Jasion VS, Polanco JA, Meharenna YT, Li H, Poulos T. Crystal structure of Leishmania major peroxidase and characterization of the compound i tryptophan radical. J Biol Chem. 2011 Jul 15; 286(28):24608-15. PMID: 21566139; PMCID: PMC3137036.
    86. Doukov T, Li H, Sharma A, Martell JD, Soltis SM, Silverman RB, Poulos T. Temperature-dependent spin crossover in neuronal nitric oxide synthase bound with the heme-coordinating thioether inhibitors. J Am Chem Soc. 2011 Jun 01; 133(21):8326-34. PMID: 21534614; PMCID: PMC3193996.
    87. Xue F, Fang J, Delker SL, Li H, Martásek P, Roman LJ, Poulos T, Silverman RB. Symmetric double-headed aminopyridines, a novel strategy for potent and membrane-permeable inhibitors of neuronal nitric oxide synthase. J Med Chem. 2011 Apr 14; 54(7):2039-48. PMID: 21410186; PMCID: PMC3072459.
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    105. Ioanoviciu A, Meharenna YT, Poulos T, Ortiz de Montellano PR. DevS oxy complex stability identifies this heme protein as a gas sensor in Mycobacterium tuberculosis dormancy. Biochemistry. 2009 Jun 30; 48(25):5839-48. PMID: 19463006; PMCID: PMC2756985.
    106. Kumar MR, Pervitsky D, Chen L, Poulos T, Kundu S, Hargrove MS, Rivera EJ, Diaz A, Colón JL, Farmer PJ. Nitrosyl hydride (HNO) as an O2 analogue: long-lived HNO adducts of ferrous globins. Biochemistry. 2009 Jun 09; 48(22):5018-25. PMID: 19368336; PMCID: PMC2755260.
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    131. Swartz L, Kuchinskas M, Li H, Poulos T, Lanzilotta WN. Redox-dependent structural changes in the Azotobacter vinelandii bacterioferritin: new insights into the ferroxidase and iron transport mechanism. Biochemistry. 2006 Apr 11; 45(14):4421-8. PMID: 16584178.
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    163. Nagano S, Li H, Shimizu H, Nishida C, Ogura H, Ortiz de Montellano PR, Poulos T. Crystal structures of epothilone D-bound, epothilone B-bound, and substrate-free forms of cytochrome P450epoK. J Biol Chem. 2003 Nov 07; 278(45):44886-93. PMID: 12933799.
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    166. Friedman J, Lad L, Deshmukh R, Li H, Wilks A, Poulos T. Crystal structures of the NO- and CO-bound heme oxygenase from Neisseriae meningitidis. Implications for O2 activation. J Biol Chem. 2003 Sep 05; 278(36):34654-9. PMID: 12819228.
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    167. Jia Q, Cai T, Huang M, Li H, Xian M, Poulos T, Wang PG. Isoform-selective substrates of nitric oxide synthase. J Med Chem. 2003 Jun 05; 46(12):2271-4. PMID: 12773030.
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    168. Bonagura CA, Bhaskar B, Shimizu H, Li H, Sundaramoorthy M, McRee DE, Goodin DB, Poulos T. High-resolution crystal structures and spectroscopy of native and compound I cytochrome c peroxidase. Biochemistry. 2003 May 20; 42(19):5600-8. PMID: 12741816.
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    169. Bhaskar B, Immoos CE, Shimizu H, Sulc F, Farmer PJ, Poulos T. A novel heme and peroxide-dependent tryptophan-tyrosine cross-link in a mutant of cytochrome c peroxidase. J Mol Biol. 2003 Apr 18; 328(1):157-66. PMID: 12684005.
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    170. Lad L, Schuller DJ, Shimizu H, Friedman J, Li H, Ortiz de Montellano PR, Poulos T. Comparison of the heme-free and -bound crystal structures of human heme oxygenase-1. J Biol Chem. 2003 Mar 07; 278(10):7834-43. PMID: 12500973.
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    171. Li H, Shimizu H, Flinspach M, Jamal J, Yang W, Xian M, Cai T, Wen EZ, Jia Q, Wang PG, Poulos T. The novel binding mode of N-alkyl-N'-hydroxyguanidine to neuronal nitric oxide synthase provides mechanistic insights into NO biosynthesis. Biochemistry. 2002 Nov 26; 41(47):13868-75. PMID: 12437343.
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    172. Yano JK, Blasco F, Li H, Schmid RD, Henne A, Poulos T. Preliminary characterization and crystal structure of a thermostable cytochrome P450 from Thermus thermophilus. J Biol Chem. 2003 Jan 03; 278(1):608-16. PMID: 12401810.
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    173. Sevrioukova IF, Poulos T. Putidaredoxin reductase, a new function for an old protein. J Biol Chem. 2002 Jul 12; 277(28):25831-9. PMID: 12011076.
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    175. Li H, Yano JK, Poulos T. Molecular replacement in P450 crystal structure determinations. Methods Enzymol. 2002; 357:79-93. PMID: 12424900.
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