My Bibliography

select

Mahajan S, Pall AE, Li YE, Stemmler TL, Rees DC, Clemons WM Jr. Nucleotide- and metalloid-driven conformational changes in the arsenite efflux ATPase ArsA. Proc Natl Acad Sci U S A. 2025 Sep 2;122(35):e2506440122. doi: 10.1073/pnas.2506440122. Epub 2025 Aug 29. PubMed PMID: 40880530; PubMed Central PMCID: PMC12415280.

select

Feng X, Rees DC. Catching carbon fixation without fixing. Science. 2025 Jan 31;387(6733):474-475. doi: 10.1126/science.adv2071. Epub 2025 Jan 30. PubMed PMID: 39883782.

select

Warmack RA, Rees DC. The nitrogenase mechanism: new roles for the dangler?. J Biol Inorg Chem. 2025 Mar;30(2):125-133. doi: 10.1007/s00775-024-02085-7. Epub 2024 Dec 19. Review. PubMed PMID: 39699648; PubMed Central PMCID: PMC11928389.

select

Warmack RA, Rees DC. Structural evolution of nitrogenase states under alkaline turnover. Nat Commun. 2024 Dec 2;15(1):10472. doi: 10.1038/s41467-024-54713-0. PubMed PMID: 39622820; PubMed Central PMCID: PMC11612016.

select

Heidinger L, Perez K, Spatzal T, Einsle O, Weber S, Rees DC, Schleicher E. Analysis of early intermediate states of the nitrogenase reaction by regularization of EPR spectra. Nat Commun. 2024 May 13;15(1):4041. doi: 10.1038/s41467-024-48271-8. PubMed PMID: 38740794; PubMed Central PMCID: PMC11091149.

select

Warmack RA, Wenke BB, Spatzal T, Rees DC. Anaerobic cryoEM protocols for air-sensitive nitrogenase proteins. Nat Protoc. 2024 Jul;19(7):2026-2051. doi: 10.1038/s41596-024-00973-5. Epub 2024 Apr 4. Review. PubMed PMID: 38575747; PubMed Central PMCID: PMC11528890.

select

Heirwegh M, Rees D, Malcom-Piqueux L. Postdoctoral Scholar Recruitment and Hiring Practices in STEM: A Pilot Study. [Preprint]. 2024 February. doi: 10.1101/2024.02.12.580018.

select

Warmack RA, Rees DC. Nitrogenase beyond the Resting State: A Structural Perspective. Molecules. 2023 Dec 5;28(24). doi: 10.3390/molecules28247952. Review. PubMed PMID: 38138444; PubMed Central PMCID: PMC10745740.

select

Buscagan TM, Rees DC. Modeling the Correlation between Z and B in an X-ray Crystal Structure Refinement. bioRxiv. 2023 Jul 4;. doi: 10.1101/2023.07.04.547724. PubMed PMID: 37461620; PubMed Central PMCID: PMC10350028.

select

Maggiolo AO, Mahajan S, Rees DC, Clemons WM. Intradimeric Walker A ATPases: Conserved Features of A Functionally Diverse Family. J Mol Biol. 2023 Jun 1;435(11):167965. doi: 10.1016/j.jmb.2023.167965. Epub 2023 Jun 16. Review. PubMed PMID: 37330285.

select

Warmack RA, Maggiolo AO, Orta A, Wenke BB, Howard JB, Rees DC. Structural consequences of turnover-induced homocitrate loss in nitrogenase. Nat Commun. 2023 Feb 25;14(1):1091. doi: 10.1038/s41467-023-36636-4. PubMed PMID: 36841829; PubMed Central PMCID: PMC9968304.

select

Nichols AL, Blumenfeld Z, Fan C, Luebbert L, Blom AEM, Cohen BN, Marvin JS, Borden PM, Kim CH, Muthusamy AK, Shivange AV, Knox HJ, Campello HR, Wang JH, Dougherty DA, Looger LL, Gallagher T, Rees DC, Lester HA. Correction: Fluorescence activation mechanism and imaging of drug permeation with new sensors for smoking-cessation ligands. Elife. 2022 Dec 15;11. doi: 10.7554/eLife.85479. PubMed PMID: 36520038; PubMed Central PMCID: PMC9754624.

select

Threatt SD, Rees DC. Biological nitrogen fixation in theory, practice, and reality: a perspective on the molybdenum nitrogenase system. FEBS Lett. 2023 Jan;597(1):45-58. doi: 10.1002/1873-3468.14534. Epub 2022 Nov 28. Review. PubMed PMID: 36344435; PubMed Central PMCID: PMC10100503.

select

MacArdle SG, Rees DC. Solvent Deuterium Isotope Effects of Substrate Reduction by Nitrogenase from Azotobacter vinelandii. J Am Chem Soc. 2022 Nov 23;144(46):21125-21135. doi: 10.1021/jacs.2c07574. Epub 2022 Nov 8. PubMed PMID: 36346899; PubMed Central PMCID: PMC9706557.

select

Miller RD, Iinishi A, Modaresi SM, Yoo BK, Curtis TD, Lariviere PJ, Liang L, Son S, Nicolau S, Bargabos R, Morrissette M, Gates MF, Pitt N, Jakob RP, Rath P, Maier T, Malyutin AG, Kaiser JT, Niles S, Karavas B, Ghiglieri M, Bowman SEJ, Rees DC, Hiller S, Lewis K. Computational identification of a systemic antibiotic for gram-negative bacteria. Nat Microbiol. 2022 Oct;7(10):1661-1672. doi: 10.1038/s41564-022-01227-4. Epub 2022 Sep 26. PubMed PMID: 36163500; PubMed Central PMCID: PMC10155127.

select

Buscagan TM, Kaiser JT, Rees DC. Selenocyanate derived Se-incorporation into the nitrogenase Fe protein cluster. Elife. 2022 Jul 29;11. doi: 10.7554/eLife.79311. PubMed PMID: 35904245; PubMed Central PMCID: PMC9462850.

select

Fan C, Rees DC. Glutathione binding to the plant AtAtm3 transporter and implications for the conformational coupling of ABC transporters. Elife. 2022 Mar 25;11. doi: 10.7554/eLife.76140. PubMed PMID: 35333177; PubMed Central PMCID: PMC9000953.

select

Nichols AL, Blumenfeld Z, Fan C, Luebbert L, Blom AEM, Cohen BN, Marvin JS, Borden PM, Kim CH, Muthusamy AK, Shivange AV, Knox HJ, Campello HR, Wang JH, Dougherty DA, Looger LL, Gallagher T, Rees DC, Lester HA. Fluorescence activation mechanism and imaging of drug permeation with new sensors for smoking-cessation ligands. Elife. 2022 Jan 4;11. doi: 10.7554/eLife.74648. PubMed PMID: 34982029; PubMed Central PMCID: PMC8820738.

select

Fan C, Rees DC. Modeling the stimulation by glutathione of the steady state kinetics of an adenosine triphosphate binding cassette transporter. Protein Sci. 2022 Mar;31(3):752-757. doi: 10.1002/pro.4250. Epub 2021 Dec 21. PubMed PMID: 34878193; PubMed Central PMCID: PMC8862428.

select

Sharaf NG, Shahgholi M, Kim E, Lai JY, VanderVelde DG, Lee AT, Rees DC. Characterization of the ABC methionine transporter from Neisseria meningitidis reveals that lipidated MetQ is required for interaction. Elife. 2021 Aug 19;10. doi: 10.7554/eLife.69742. PubMed PMID: 34409939; PubMed Central PMCID: PMC8416018.

select

Kuznetsova A, Masrati G, Vigonsky E, Livnat-Levanon N, Rose J, Grupper M, Baloum A, Yang JG, Rees DC, Ben-Tal N, Lewinson O. Titratable transmembrane residues and a hydrophobic plug are essential for manganese import via the Bacillus anthracis ABC transporter MntBC-A. J Biol Chem. 2021 Oct;297(4):101087. doi: 10.1016/j.jbc.2021.101087. Epub 2021 Aug 18. PubMed PMID: 34416234; PubMed Central PMCID: PMC8487065.

select

Lee HB, Shiau AA, Marchiori DA, Oyala PH, Yoo BK, Kaiser JT, Rees DC, Britt RD, Agapie T. CaMn(3)(IV) O(4) Cubane Models of the Oxygen-Evolving Complex: Spin Ground States S<9/2 and the Effect of Oxo Protonation. Angew Chem Int Ed Engl. 2021 Aug 2;60(32):17671-17679. doi: 10.1002/anie.202105303. Epub 2021 Jul 1. PubMed PMID: 34042234; PubMed Central PMCID: PMC8319083.

select

Probst C, Yang J, Krausze J, Hercher TW, Richers CP, Spatzal T, Kc K, Giles LJ, Rees DC, Mendel RR, Kirk ML, Kruse T. Mechanism of molybdate insertion into pterin-based molybdenum cofactors. Nat Chem. 2021 Aug;13(8):758-765. doi: 10.1038/s41557-021-00714-1. Epub 2021 Jun 28. PubMed PMID: 34183818; PubMed Central PMCID: PMC8325642.

select

Cho HJ, Kim KS, Kim H, Kim T, Malyutin AG, Rees DC, Yoo BK, Song C. Microcrystal Electron Diffraction Elucidates Water-Specific Polymorphism-Induced Emission Enhancement of Bis-arylacylhydrazone. ACS Appl Mater Interfaces. 2021 Feb 17;13(6):7546-7555. doi: 10.1021/acsami.0c21248. Epub 2021 Feb 5. PubMed PMID: 33544590.

select

Buscagan TM, Perez KA, Maggiolo AO, Rees DC, Spatzal T. Structural Characterization of Two CO Molecules Bound to the Nitrogenase Active Site. Angew Chem Int Ed Engl. 2021 Mar 8;60(11):5704-5707. doi: 10.1002/anie.202015751. Epub 2021 Jan 27. PubMed PMID: 33320413; PubMed Central PMCID: PMC7920927.

select

Fan C, Rees DC. Crystal structure of the Escherichia coli transcription termination factor Rho. Acta Crystallogr F Struct Biol Commun. 2020 Sep 1;76(Pt 9):398-405. doi: 10.1107/S2053230X20010572. Epub 2020 Aug 20. PubMed PMID: 32880587; PubMed Central PMCID: PMC7470046.

select

Fan C, Kaiser JT, Rees DC. A structural framework for unidirectional transport by a bacterial ABC exporter. Proc Natl Acad Sci U S A. 2020 Aug 11;117(32):19228-19236. doi: 10.1073/pnas.2006526117. Epub 2020 Jul 23. PubMed PMID: 32703810; PubMed Central PMCID: PMC7430982.

select

Einsle O, Rees DC. Structural Enzymology of Nitrogenase Enzymes. Chem Rev. 2020 Jun 24;120(12):4969-5004. doi: 10.1021/acs.chemrev.0c00067. Epub 2020 Jun 15. Review. PubMed PMID: 32538623; PubMed Central PMCID: PMC8606229.

select

Buscagan TM, Rees DC. Rethinking the Nitrogenase Mechanism: Activating the Active Site. Joule. 2019 Nov 20;3(11):2662-2678. doi: 10.1016/j.joule.2019.09.004. Epub 2019 Oct 10. PubMed PMID: 32864580; PubMed Central PMCID: PMC7451245.

select

Henthorn JT, Arias RJ, Koroidov S, Kroll T, Sokaras D, Bergmann U, Rees DC, DeBeer S. Localized Electronic Structure of Nitrogenase FeMoco Revealed by Selenium K-Edge High Resolution X-ray Absorption Spectroscopy. J Am Chem Soc. 2019 Aug 28;141(34):13676-13688. doi: 10.1021/jacs.9b06988. Epub 2019 Aug 15. PubMed PMID: 31356071; PubMed Central PMCID: PMC6716209.

select

Nguyen PT, Lai JY, Kaiser JT, Rees DC. Structures of the Neisseria meningitides methionine-binding protein MetQ in substrate-free form and bound to l- and d-methionine isomers. Protein Sci. 2019 Oct;28(10):1750-1757. doi: 10.1002/pro.3694. Epub 2019 Aug 9. PubMed PMID: 31348565; PubMed Central PMCID: PMC6739813.

select

Wenke BB, Spatzal T, Rees DC. Site-Specific Oxidation State Assignments of the Iron Atoms in the [4Fe:4S](2+/1+/0) States of the Nitrogenase Fe-Protein. Angew Chem Int Ed Engl. 2019 Mar 18;58(12):3894-3897. doi: 10.1002/anie.201813966. Epub 2019 Feb 14. PubMed PMID: 30698901; PubMed Central PMCID: PMC6519357.

select

Fisher AJ, Mendoza-Denton R, Patt C, Young I, Eppig A, Garrell RL, Rees DC, Nelson TW, Richards MA. Structure and belonging: Pathways to success for underrepresented minority and women PhD students in STEM fields. PLoS One. 2019;14(1):e0209279. doi: 10.1371/journal.pone.0209279. eCollection 2019. PubMed PMID: 30625173; PubMed Central PMCID: PMC6326412.

select

Nguyen PT, Lai JY, Lee AT, Kaiser JT, Rees DC. Noncanonical role for the binding protein in substrate uptake by the MetNI methionine ATP Binding Cassette (ABC) transporter. Proc Natl Acad Sci U S A. 2018 Nov 6;115(45):E10596-E10604. doi: 10.1073/pnas.1811003115. Epub 2018 Oct 23. PubMed PMID: 30352853; PubMed Central PMCID: PMC6233128.

select

Herrera N, Maksaev G, Haswell ES, Rees DC. Elucidating a role for the cytoplasmic domain in the Mycobacterium tuberculosis mechanosensitive channel of large conductance. Sci Rep. 2018 Oct 1;8(1):14566. doi: 10.1038/s41598-018-32536-6. PubMed PMID: 30275500; PubMed Central PMCID: PMC6167328.

select

Arias RJ, Kaiser JT, Rees DC. The "speed limit" for macromolecular crystal growth. Protein Sci. 2018 Oct;27(10):1837-1841. doi: 10.1002/pro.3491. Epub 2018 Oct 16. PubMed PMID: 30056633; PubMed Central PMCID: PMC6222248.

select

Morrison CN, Spatzal T, Rees DC. Correction to Reversible Protonated Resting State of the Nitrogenase Active Site. J Am Chem Soc. 2017 Oct 4;139(39):13958. doi: 10.1021/jacs.7b09849. Epub 2017 Sep 26. PubMed PMID: 28949128; PubMed Central PMCID: PMC5632809.

select

Segal HM, Spatzal T, Hill MG, Udit AK, Rees DC. Electrochemical and structural characterization of Azotobacter vinelandii flavodoxin II. Protein Sci. 2017 Oct;26(10):1984-1993. doi: 10.1002/pro.3236. Epub 2017 Aug 30. PubMed PMID: 28710816; PubMed Central PMCID: PMC5606536.

select

Morrison CN, Spatzal T, Rees DC. Reversible Protonated Resting State of the Nitrogenase Active Site. J Am Chem Soc. 2017 Aug 9;139(31):10856-10862. doi: 10.1021/jacs.7b05695. Epub 2017 Jul 26. PubMed PMID: 28692802; PubMed Central PMCID: PMC5553094.

select

Bavi N, Cortes DM, Cox CD, Rohde PR, Liu W, Deitmer JW, Bavi O, Strop P, Hill AP, Rees D, Corry B, Perozo E, Martinac B. The role of MscL amphipathic N terminus indicates a blueprint for bilayer-mediated gating of mechanosensitive channels. Nat Commun. 2016 Jun 22;7:11984. doi: 10.1038/ncomms11984. PubMed PMID: 27329693; PubMed Central PMCID: PMC4917966.

select

Spatzal T, Schlesier J, Burger EM, Sippel D, Zhang L, Andrade SL, Rees DC, Einsle O. Nitrogenase FeMoco investigated by spatially resolved anomalous dispersion refinement. Nat Commun. 2016 Mar 14;7:10902. doi: 10.1038/ncomms10902. PubMed PMID: 26973151; PubMed Central PMCID: PMC4793075.

select

Spatzal T, Perez KA, Howard JB, Rees DC. Catalysis-dependent selenium incorporation and migration in the nitrogenase active site iron-molybdenum cofactor. Elife. 2015 Dec 16;4:e11620. doi: 10.7554/eLife.11620. PubMed PMID: 26673079; PubMed Central PMCID: PMC4755756.

select

Nguyen PT, Li QW, Kadaba NS, Lai JY, Yang JG, Rees DC. The contribution of methionine to the stability of the Escherichia coli MetNIQ ABC transporter-substrate binding protein complex. Biol Chem. 2015 Sep;396(9-10):1127-34. doi: 10.1515/hsz-2015-0131. PubMed PMID: 25803078; PubMed Central PMCID: PMC4621241.

select

Mattle D, Zhang L, Sitsel O, Pedersen LT, Moncelli MR, Tadini-Buoninsegni F, Gourdon P, Rees DC, Nissen P, Meloni G. A sulfur-based transport pathway in Cu+-ATPases. EMBO Rep. 2015 Jun;16(6):728-40. doi: 10.15252/embr.201439927. Epub 2015 May 8. PubMed PMID: 25956886; PubMed Central PMCID: PMC4467857.

select

Morrison CN, Hoy JA, Zhang L, Einsle O, Rees DC. Substrate pathways in the nitrogenase MoFe protein by experimental identification of small molecule binding sites. Biochemistry. 2015 Mar 24;54(11):2052-60. doi: 10.1021/bi501313k. Epub 2015 Mar 9. PubMed PMID: 25710326; PubMed Central PMCID: PMC4590346.

select

Yang JG, Rees DC. The allosteric regulatory mechanism of the Escherichia coli MetNI methionine ATP binding cassette (ABC) transporter. J Biol Chem. 2015 Apr 3;290(14):9135-40. doi: 10.1074/jbc.M114.603365. Epub 2015 Feb 12. PubMed PMID: 25678706; PubMed Central PMCID: PMC4423698.

select

Zhang LM, Morrison CN, Kaiser JT, Rees DC. Nitrogenase MoFe protein from Clostridium pasteurianum at 1.08 Å resolution: comparison with the Azotobacter vinelandii MoFe protein. Acta Crystallogr D Biol Crystallogr. 2015 Feb;71(Pt 2):274-82. doi: 10.1107/S1399004714025243. Epub 2015 Jan 23. PubMed PMID: 25664737; PubMed Central PMCID: PMC4321486.

select

Tezcan FA, Kaiser JT, Howard JB, Rees DC. Structural evidence for asymmetrical nucleotide interactions in nitrogenase. J Am Chem Soc. 2015 Jan 14;137(1):146-9. doi: 10.1021/ja511945e. Epub 2014 Dec 23. PubMed PMID: 25522159; PubMed Central PMCID: PMC4304452.

select

Spatzal T, Perez KA, Einsle O, Howard JB, Rees DC. Ligand binding to the FeMo-cofactor: structures of CO-bound and reactivated nitrogenase. Science. 2014 Sep 26;345(6204):1620-3. doi: 10.1126/science.1256679. PubMed PMID: 25258081; PubMed Central PMCID: PMC4205161.

select

Kamajaya A, Kaiser JT, Lee J, Reid M, Rees DC. The structure of a conserved piezo channel domain reveals a topologically distinct β sandwich fold. Structure. 2014 Oct 7;22(10):1520-7. doi: 10.1016/j.str.2014.08.009. Epub 2014 Sep 18. PubMed PMID: 25242456; PubMed Central PMCID: PMC4192063.