Time-Resolved Publications: Biology

2018 | 20172016201520142013 | 2012 2011 2010 2009 2008 2007 2006 2005 2004 2003 2001 2000 Pre-2000


Please include the following paragraph in all publications based on data obtained at BioCARS:

This research used resources of the Advanced Photon Source, a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357. Use of BioCARS was also supported by the National Institute of General Medical Sciences of the National Institutes of Health under grant number R24GM111072. The content is solely the responsibility of the authors and does not necessarily represent the official views of the National Institutes of Health.

For time-resolved publications, please also include the following:

Time-resolved set-up at Sector 14 was funded in part through a collaboration with Philip Anfinrud (NIH/NIDDK).


  1. Cho, H. S., Schotte, F., Stadnytskyi, V., DiChiara, A., Henning, R. W., and Anfinrud, P.
    Dynamics of Quaternary Structure Transitions in R-State Carbonmonoxyhemoglobin are Unveiled in Time-Resolved X-ray Scattering Patterns Following a Temperature Jump.
    J. Phys. Chem. B. (2018)
  2. Davis, K. M., Sullivan, B. T., Palenik, M. C., Yan, L., Purohit, V., Robison, G., Kosheleva, I., Henning, R. W., Seidler, G. T., and Pushkar, Y.
    Rapid Evolution of the Photosystem II Electronic Structure during Water Splitting.
    Phys. Rev. X 8, 041014 (2018)
  3. Ren, Z., Ayhan, M., Bandara, S., Bowatte, K., Kumarapperuma, I., Gunawardana, S., Shin, H., Wang, C., Zeng, X., and Yang, X.
    Crystal-on-crystal chips for in situ serial diffraction at room temperature.
    Lab Chip 18, 2246–2256 (2018)
  4. Rimmerman, D., Leshchev, D., Hsu, D. J., Hong, J., Abraham, B., Henning, R., Koshelva, I., and Chen, L. X.
    Probing Cytochrome c Folding Transitions upon Phototriggered Environmental Perturbations Using Time-Resolved X-ray Scattering.
    J. Phys. Chem. B 122, 5218–5224 (2018)
  5. Rimmerman, D., Leshchev, D., J. Hsu, D., Hong, J., Abraham, B., Kosheleva, I., Henning, R., and X. Chen, L.
    Insulin hexamer dissociation dynamics revealed by photoinduced T -jumps and time-resolved X-ray solution scattering.
    Photochemical & Photobiological Sciences 17, 874–882 (2018)
  6. Yang, C., Choi, M., Kim, J. G., Kim, H., Muniyappan, S., Nozawa, S., Adachi, S., Henning, R., Kosheleva, I., and Ihee, H.
    Protein Structural Dynamics of Wild-Type and Mutant Homodimeric Hemoglobin Studied by Time-Resolved X-Ray Solution Scattering.
    International Journal of Molecular Sciences 19, 3633 (2018)



  1. Berntsson, O., Diensthuber, R. P., Panman, M. R., Björling, A., Gustavsson, E., Hoernke, M., Hughes, A. J., Henry, L., Niebling, S., Takala, H., Ihalainen, J. A., Newby, G., Kerruth, S., Heberle, J., Liebi, M., Menzel, A., Henning, R., Kosheleva, I., Möglich, A., and Westenhoff, S.
    Sequential conformational transitions and α-helical supercoiling regulate a sensor histidine kinase.
    Nat Commun 8. (2017)
  2. Berntsson, O., Diensthuber, R. P., Panman, M. R., Björling, A., Hughes, A. J., Henry, L., Niebling, S., Newby, G., Liebi, M., Menzel, A., Henning, R., Kosheleva, I., Möglich, A., and Westenhoff, S.
    Time-Resolved X-Ray Solution Scattering Reveals the Structural Photoactivation of a Light-Oxygen-Voltage Photoreceptor.
    Structure 25, 933–938.e3 (2017)
  3. Meents, A., Wiedorn, M. O., Srajer, V., Henning, R., Sarrou, I., Bergtholdt, J., Barthelmess, M., Reinke, P. Y. A., Dierksmeyer, D., Tolstikova, A., Schaible, S., Messerschmidt, M., Ogata, C. M., Kissick, D. J., Taft, M. H., Manstein, D. J., Lieske, J., Oberthuer, D., Fischetti, R. F., and Chapman, H. N.
    Pink-beam serial crystallography.
    Nature Communications 8, 1281 (2017)
  4. Moffat, K.
    CHAPTER 5:Dynamic and Static X-ray Scattering from Biological Systems on the Femtosecond to Nanosecond Time Scale
    in X-Ray Free Electron Lasers, pp 105-127 (2017)
  5. Oang, K. Y., Yang, C., Muniyappan, S., Kim, J., and Ihee, H.
    SVD-aided pseudo principal-component analysis: A new method to speed up and improve determination of the optimum kinetic model from time-resolved data.
    Structural Dynamics 4, 044013 (2017)
  6. Rimmerman, D., Leshchev, D., Hsu, D. J., Hong, J., Kosheleva, I., and Chen, L. X.
    Direct Observation of Insulin Association Dynamics with Time-Resolved X-ray Scattering.
    J. Phys. Chem. Lett. 8, 4413–4418 (2017)
  7. Schmidt, M.
    A short history of structure based research on the photocycle of photoactive yellow protein.
    Structural Dynamics 4, 032201 (2017)

  8. Schmidt, M.
    Time-Resolved Macromolecular Crystallography at Modern X-Ray Sources
    in Protein Crystallography (Wlodawer, A., Dauter, Z., and Jaskolsi, M., Eds.), pp 273-294. Springer New York, New York, NY (2017)
  9. Šrajer, V., and Schmidt, M.
    Watching proteins function with time-resolved x-ray crystallography.
    Journal of Physics D: Applied Physics 50, 373001 (2017)



  1. Björling, A., Berntsson, O., Lehtivuori, H., Takala, H., Hughes, A. J., Panman, M., Hoernke, M., Niebling, S., Henry, L., Henning, R., Kosheleva, I., Chukharev, V., Tkachenko, N. V., Menzel, A., Newby, G., Khakhulin, D., Wulff, M., Ihalainen, J. A., and Westenhoff, S. (2016)
    Structural photoactivation of a full-length bacterial phytochrome.
    Science Advances 2, e1600920 (2016)
  2. Cho, H. S., Schotte, F., Dashdorj, N., Kyndt, J., Henning, R., and Anfinrud, P. A.
    Picosecond Photobiology: Watching a Signaling Protein Function in Real Time via Time-Resolved Small- and Wide-Angle X-ray Scattering.
    Journal of the American Chemical Society 138, 8815–8823 (2016)

  3. Hekstra, D. R., White, K. I., Socolich, M. A., Henning, R. W., Šrajer, V., and Ranganathan, R.
    Electric-field-stimulated protein mechanics.
    Nature 540, 400–405 (2016)
  4. Kim, J. G., Muniyappan, S., Oang, K. Y., Kim, T. W., Yang, C., Kim, K. H., Kim, J., and Ihee, H.
    Cooperative protein structural dynamics of homodimeric hemoglobin linked to water cluster at subunit interface revealed by time-resolved X-ray solution scattering.
    Structural Dynamics 3, 023610 (2016)

  5. Kim, T. W., Yang, C., Kim, Y., Kim, J. G., Kim, J., Jung, Y. O., Jun, S., Lee, S. J., Park, S., Kosheleva, I., Henning, R., van Thor, J. J., and Ihee, H.
    Combined probes of X-ray scattering and optical spectroscopy reveal how global conformational change is temporally and spatially linked to local structural perturbation in photoactive yellow protein.
    Phys. Chem. Chem. Phys. 18, 8911–8919 (2016)

  6. Pande, K., Hutchison, C. D. M., Groenhof, G., Aquila, A., Robinson, J. S., Tenboer, J., Basu, S., Boutet, S., DePonte, D. P., Liang, M., White, T. A., Zatsepin, N. A., Yefanov, O., Morozov, D., Oberthuer, D., Gati, C., Subramanian, G., James, D., Zhao, Y., Koralek, J., Brayshaw, J., Kupitz, C., Conrad, C., Roy-Chowdhury, S., Coe, J. D., Metz, M., Xavier, P. L., Grant, T. D., Koglin, J. E., Ketawala, G., Fromme, R., Šrajer, V., Henning, R., Spence, J. C. H., Ourmazd, A., Schwander, P., Weierstall, U., Frank, M., Fromme, P., Barty, A., Chapman, H. N., Moffat, K., Thor, J. J. van, and Schmidt, M.
    Femtosecond structural dynamics drives the trans/cis isomerization in photoactive yellow protein.
    Science 352, 725–729 (2016)

  7. Schotte, F., Cho, H. S., Kamikubo, H., Kataoka, M., and Anfinrud, P. A.
    Watching a Signaling Protein Function in Real Time via Picosecond Time-Resolved Laue Crystallography
    In Molecular Science of Fluctuations Toward Biological Functions (Terazima, M., Kataoka, M., Ueoka, R., and Okamoto, Y., Eds.), pp 65–85. Springer Japan (2016)




  1. Kim, J. G., Kim, T. W., Kim, J., and Ihee, H.
    Protein Structural Dynamics Revealed by Time-Resolved X-ray Solution Scattering.
    Accounts of Chemical Research 48, 2200–2208 (2015)
  2. Pawate, A. S., Šrajer, V., Schieferstein, J., Guha, S., Henning, R., Kosheleva, I., Schmidt, M., Ren, Z., Kenis, P. J. A., and Perry, S. L.
    Towards time-resolved serial crystallography in a microfluidic device.
    Acta Crystallographica Section F Structural Biology Communications 71, 823–830 (2015)
  3. Yang, X., Stojković, E. A., Ozarowski, W. B., Kuk, J., Davydova, E., and Moffat, K.
    Light Signaling Mechanism of Two Tandem Bacteriophytochromes.
    Structure 23, 1179–1189 (2015)





  1. Arnlund, D., Johansson, L. C., Wickstrand, C., Barty, A., Williams, G. J., Malmerberg, E., Davidsson, J., Milathianaki, D., DePonte, D. P., Shoeman, R. L., Wang, D., James, D., Katona, G., Westenhoff, S., White, T. A., Aquila, A., Bari, S., Berntsen, P., Bogan, M., van Driel, T. B., Doak, R. B., Kjær, K. S., Frank, M., Fromme, R., Grotjohann, I., Henning, R., Hunter, M. S., Kirian, R. A., Kosheleva, I., Kupitz, C., Liang, M., Martin, A. V., Nielsen, M. M., Messerschmidt, M., Seibert, M. M., Sjöhamn, J., Stellato, F., Weierstall, U., Zatsepin, N. A., Spence, J. C. H., Fromme, P., Schlichting, I., Boutet, S., Groenhof, G., Chapman, H. N., and Neutze, R.
    Visualizing a protein quake with time-resolved X-ray scattering at a free-electron laser.
    Nat Meth 11, 923–926 (2014)
  2. Jung, Y. O., Lee, J. H., Kim, J., Schmidt, M., Moffat, K., Šrajer, V., and Ihee, H.
    Reply to “Contradictions in X-ray structures of intermediates in the photocycle of photoactive yellow protein”.
    Nat Chem 6, 259–260 (2014)
  3. Kaila, V. R. I., Schotte, F., Cho, H. S., Hummer, G., and Anfinrud, P. A.
    Contradictions in X-ray structures of intermediates in the photocycle of photoactive yellow protein.
    Nat Chem 6, 258–259 (2014)
  4. Kim, T. W., Kim, J. G., Yang, C., Ki, J., Jo, J., Ihee, H.
    Pump-Probe X-ray Solution Scattering Reveals Accelerated Folding of Cytochrome c Upon Suppression of Misligation
    Bull. Korean Chem. Soc. 35 (3), 697-698 (2014)
  5. Moffat, K.
    Time-resolved crystallography and protein design: signalling photoreceptors and optogenetics.
    Phil. Trans. R. Soc. B 369, 20130568 (2014)
  6. Oang, K. Y., Kim, K. H., Jo, J., Kim, Y., Kim, J. G., Kim, T. W., Jun, S., Kim, J., and Ihee, H.
    Sub-100-ps structural dynamics of horse heart myoglobin probed by time-resolved X-ray solution scattering.
    Chemical Physics 442, 137–142 (2014)
  7. Oang, K. Y., Kim, J. G., Yang, C., Kim, T. W., Kim, Y., Kim, K. H., Kim, J., and Ihee, H.
    Conformational Substates of Myoglobin Intermediate Resolved by Picosecond X-ray Solution Scattering
    J. Phys. Chem. Lett. 804–808 (2014)
  8. Perry, S. L., Guha, S., Pawate, A. S., Henning, R., Kosheleva, I., Srajer, V., Kenis, P. J. A., and Ren, Z.
    In Situ Serial Laue Diffraction on a Microfluidic Crystallization Device
    Journal of Applied Crystallography 47, 1975-1982 (2014)
  9. Šrajer, V.
    Time-Resolved Macromolecular Crystallography in Practice at BioCARS, Advanced Photon Source: From Data Collection to Structures of Intermediates.
    In The Future of Dynamic Structural Science (Howard, J. A. K., Sparkes, H. A., Raithby, P. R., and Churakov, A. V., Eds.), pp 237–251. Springer Netherlands.
  10. Takala, H., Björling, A., Berntsson, O., Lehtivuori, H., Niebling, S., Hoernke, M., Kosheleva, I., Henning, R., Menzel, A., Ihalainen, J. A., and Westenhoff, S.
    Signal amplification and transduction in phytochrome photosensors.
    Nature 509, 245–248 (2014)
  11. Tenboer, J., Basu, S., Zatsepin, N., Pande, K., Milathianaki, D., Frank, M., Hunter, M., Boutet, S., Williams, G. J., Koglin, J. E., Oberthuer, D., Heymann, M., Kupitz, C., Conrad, C., Coe, J., Roy-Chowdhury, S., Weierstall, U., James, D., Wang, D., Grant, T., Barty, A., Yefanov, O., Scales, J., Gati, C., Seuring, C., Srajer, V., Henning, R., Schwander, P., Fromme, R., Ourmazd, A., Moffat, K., Thor, J. J. V., Spence, J. C. H., Fromme, P., Chapman, H. N., and Schmidt, M.
    Time-resolved serial crystallography captures high-resolution intermediates of photoactive yellow protein.
    Science 346, 1242–1246 (2014)


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  1. Cho H.S., Schotte F., Dashdorj N., Kyndt J., Anfinrud P.A.
    Probing Anisotropic Structure Changes in Proteins with Picosecond Time-Resolved Small Angle X-ray Scattering
    J. Phys. Chem. B 117 (49), 15825–15832 (2013)
  2. Davis, K. M., Kosheleva, I., Henning, R. W., Seidler, G. T., and Pushkar, Y.
    Kinetic Modeling of the X-ray-Induced Damage to a Metalloprotein.
    J. Phys. Chem. B 117, 9161–9169 (2013)
  3. Yang Ouk Jung, Jae Hyuk Lee, Joonghan Kim, Marius Schmidt, Keith Moffat, Vukica Srajer, and Hyotcherl Ihee
    Volume-conserving trans-cis isomerization pathways in photoactive yellow protein visualized by picosecond X-ray crystallography.
    Nat. Chem. 5, 212 (March 2013)
  4. Zhong Ren, Peter W. Y. Chan, Keith Moffat, Emil F. Pai, William E. Royer, Jr., Vukica Srajer and Xiaojing Yang
    Resolution of structural heterogeneity in dynamic crystallography
    Acta Cryst. D69 (2013)
  5. Marius Schmidt, Vukica Srajer, Robert Henning, Hyotcherl Ihee, Namrta Purwar, Jason Tenboer and Shailesh Tripathi
    Protein Energy Landscapes Determined By Five-Dimensional Crystallography
    Acta Cryst. D Biological Crystallography 69 (12), 2534–2542 (2013)
  6. Zhao J., Srajer V., and Franzen S.
    Functional consequences of the open distal pocket of dehaloperoxidase-hemoglobin observed by time-resolved X-ray crystallography
    Biochemistry 52 (45), 7943-7950 (2013)


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  1. Davis, K. M., Mattern, B. A., Pacold, J. I., Zakharova, T., Brewe, D., Kosheleva, I., Henning, R. W., Graber, T. J., Heald, S. M., Seidler, G. T., and Pushkar, Y.
    Fast Detection Allowing Analysis of Metalloprotein Electronic Structure by X-ray Emission Spectroscopy at Room Temperature.
    J. Phys. Chem. Lett. 3, 1858–1864 (2012)
  2. Kyung Hwan Kim, Srinivasan Muniyappan, Key Young Oang, Jong Goo Kim, Shunsuke Nozawa, Tokushi Sato, Shin-ya Koshihara, Robert Henning, Irina Kosheleva, Hosung Ki, Youngmin Kim, Tae Wu Kim, Jeongho Kim, Shin-ichi Adachi, Hyotcherl Ihee
    Direct Observation of Cooperative Protein Structural Dynamics of Homodimeric Hemoglobin from 100 ps to 10 ms with Pump–Probe X-ray Solution Scattering
    J. Am. Chem. Soc. 134 (16), 7001-7008 (2012)
  3. R. Neutze, K. Moffat
    Time-resolved structural studies at synchrotrons and X-ray free electron lasers: opportunities and challenges
    Curr. Opin. Struct. Biol. 22, 651–659 (2012)
  4. Zhong Ren, Vukica Srajer, James E. Knapp, William E. Royer, Jr.
    Cooperative macromolecular device revealed by meta-analysis of static and time-resolved structures
    Proc. Natl. Acad. Sci. USA 109 (1), 107-112 (2012)
  5. M. Schmidt, V. Srajer, N. Purwar, S. Tripathi
    The kinetic dose limit in room-temperature time-resolved macromolecular crystallography
    J. Synchrotron Rad. 19 (2), 264-273 (2012)
  6. F. Schotte, H.S. Cho, V.R.I. Kaila, H. Kamikubo, N. Dashdorj, E.R. Henry, T.J. Graber, R. Henning, M. Wulff, G. Hummer, M. Kataoka, P.A. Anfinrud
    Watching a signaling protein function in real time via 100-ps time-resolved Laue crystallography
    PNAS 109, 19256–19261 (2012)
  7. Shailesh Tripathi, Vukica Šrajer, Namrta Purwar, Robert Henning, Marius Schmidt
    pH Dependence of the Photoactive Yellow Protein Photocycle Investigated by Time-Resolved Crystallography
    Biophys. J. 102 (2), 325-332 (2012)
  8. Sugishima, M., Moffat, K., and Noguchi, M.
    Discrimination between CO and O2 in Heme Oxygenase: Comparison of Static Structures and Dynamic Conformation Changes following CO Photolysis.
    Biochemistry 51, 8554–8562 (2012)


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  1. Graber, T., Anderson, S., Brewer, H., Chen, Y.-S., Cho, H. S., Dashdorj, N., Henning, R. W., Kosheleva, I., Macha, G., Meron, M., Pahl, R., Ren, Z., Ruan, S., Schotte, F., Šrajer, V., Viccaro, P. J., Westferro, F., Anfinrud, P., and Moffat, K.
    BioCARS: a synchrotron resource for time-resolved X-ray science.
    J Synchrotron Rad 18, 658–670. (2011)
  2. Kim, J., K.H. Kim, J.G. Kim, T.W. Kim, Y. Kim, H. Ihee
    Anisotropic Picosecond X-ray Solution Scattering from Photo-selectively Aligned Protein Molecules
    J. Phys. Chem. Lett.
     2 350-356 (2011)
  3. Kim, K.H., K.Y. Oang, J. Kim, J.H. Lee, Y. Kim, H. Ihee
    Direct Observation of Myoglobin Structural Dynamics from 100 picoseconds to 1 microsecond with Picosecond X-ray Solution Scattering
    Chem. Commun. 47 289-291 (2011)
  4. Kostov, K. S., and Moffat, K.
    Cluster analysis of time-dependent crystallographic data: Direct identification of time-independent structural intermediates.
    Biophys. J. 100, 440–449 (2011)
  5. Liu, J., Qin, L., and Ferguson-Miller, S.
    Crystallographic and online spectral evidence for role of conformational change and conserved water in cytochrome oxidase proton pump.
    Proceedings of the National Academy of Sciences 108, 1284–1289 (2011)
  6. Purwar, N., McGarry, J. M., Kostera, J., Pacheco, A. A., and Schmidt, M.
    Interaction of nitric oxide with catalase: structural and kinetic analysis.
    Biochemistry 50, 4491–4503 (2011)
  7. Xiaojing Yang, Zhong Ren, Jane Kuk, Keith Moffat
    Temperature-scan cryocrystallography reveals reaction intermediates in bacteriophystochrome
    Nature 479 428-432 (2011)



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  1. Cho, Hyun Sun, Naranbaatar Dashdorj, Friedrich Schotte, Timothy Graber, Robert Henning, Philip Anfinrud
    Protein structural dynamics in solution unveiled via 100-ps time-resolved x-ray scattering
    PNAS 107 7281-7286 (2010)
  2. M. Schmidt, T. Graber, R. Henning, V. Srajer
    Five-dimensional crystallography
    Acta Cryst. A66 198-206 (2010)



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  1. Bourgeois, D., M. Weik
    Kinetic protein crystallography: A tool to watch proteins in action
    Crystallography Reviews 15 (2), 87-118 (2009)
  2. Coppens, P., M. Pitak, M. Gembicky, M. Messerschmidt, S. Scheins, J. Benedict, S. Adachi, T. Sato, S. Nozawa, K. Ichiyanagi, M. Chollet, S. Koshihara
    The RATIO method for time-resolved Laue crystallography 
    J. Synchrotron Rad. 16 (2) (2009)
  3. Knapp, J.E., R. Pahl, J. Cohen, J.C. Nichols, K. Schulten, Q.H. Gibson, V. Srajer, W.E. Royer Jr
    Ligand migration and cavities within scapharca dimeric HbI: Studies by time-resolved crystallography, Xe binding and computational analysis
    Structure 17 (11), 1494-1504 (2009)
  4. Zhao, Y., M. Schmidt
    New software for the singular value decomposition of time-resolved crystallographic data
    J. Appl. Cryst. 42 (4), 734-740 (2009)


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  1. Schmidt, M.
    Structure-based kinetics by time-resolved X-ray crystallography
    In Ultrashort Laser Pulses in Biology and Medicine (Markus Braun, Peter Gilch and Wolfgang Zinth, eds.), Springer Berlin Heidelberg, pp. 201-241 (2008)
  2. Srajer, V., and W.E. Royer Jr.
    Time-resolved X-ray crystallography of heme proteins
    Methods Enzymol. 437: 379-395 (2008)


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  1. Key J, Srajer V, Pahl R and Moffat K.
    Time-Resolved Crystallographic Studies of the Heme Domain of the Oxygen Sensor FixL: Structural Dynamics of Ligand Rebinding and Their Relation to Signal Transduction
    Biochemistry 46 (16): 4706-4715 (2007)
  2. Pearson AR, Pahl R, Kovaleva EG, Davidson VL and Wilmot CM.
    Tracking X-ray-derived redox changes in crystals of a methylamine dehydrogenase/amicyanin complex using single-crystal UV/Vis microspectrophotometry.
    Journal of Synchrotron Radiation 14 (1): 92-98 (2007)


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  1. Knapp, James E., Reinhard Pahl, Vukica Srajer, William E. Royer
    Allosteric action in real time: Time-resolved crystallographic studies of a cooperative dimeric hemoglobin.
    PNAS 103 (20) 7649-7654 (2006)
  2. K. Moffat
    Laue Crystallography: Time Resolved Studies in
    International Tables for X-Ray Crystallography, Volume F: Crystallography of Biological Macromolecules, edited by M. G. Rossmann and E. Arnold. Ch. 8.2, p. 167-176 (2006)
    more information


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  1. Ihee H, Rajagopal S, Srajer V, Pahl R, Anderson S, Schmidt M, Schotte F, Anfinrud PA, Wulff M, Moffat K.
    Visualizing reaction pathways in photoactive yellow protein from nanoseconds to seconds.
    PNAS 102: 7145-7150 (2005)
  2. Marius Schmidt, Karin Nienhaus, Reinhard Pahl, Angela Krasselt, Spencer Anderson, Fritz Parak, G. Ulrich Nienhaus, Vukica Srajer
    Ligand migration pathway and protein dynamics in myoglobin: A time-resolved crystallographic study on L29W MbCO
    PNAS 102 (33) 11704-11709 (2005)
  3. M. Schmidt, H. Ihee, R. Pahl and V. rajer
    Protein-ligand interactions probed by time-resolved crystallography.
    In Protein-Ligand Interactions: Methods and Applications (G. U. Nienhaus, ed.), Methods in Molecular Biology, vol. 305,
    Humana Press, Totawa, NJ, pp. 115-154 (2005)

  4. Sudarshan Rajagopal, Spencer Anderson, Vukica Srajer, Marius Schmidt, Reinhard Pahl, Keith Moffat
    A Structural Pathway for Signaling in the E46Q Mutant of Photoactive Yellow Protein
    Structure 13 (1) 55-63 (2005)


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  1. S. Anderson, V. Srajer, R. Pahl, S. Rajagopal, F. Schotte, P. Anfinrud, M. Wulff, K. Moffat
    Chromophore Conformation and the Evolution of Tertiary Structural Changes in Photoactive Yellow Protein.
    Structure 12 (6) 1039-1045 (2004)
  2. Baxter, R. H. G., Ponomarenko, N., Srajer, V., Pahl, R., Moffat, K. and Norris, J. R.
    Time-resolved crystallographic studies of light-induced structural changes in the photosynthetic reaction center.
    PNAS 101 (16) 5982-5987 (2004)
  3. James E. Knapp, Vukica Srajer, Reinhard Pahl, William E. Royer, Jr
    Immobilization of Scapharca HbI crystals improves data quality in time-resolved crystallographic experiments.
    Micron 35 107-108 (2004)
  4. S. Rajagopal, K. Kostov, K. Moffat
    Analytical trapping: Extraction of time-independent structures from time-dependent crystallographic data.
    J. Struct. Biol. 147 (3) 211-222 (2004)
  5. Rajagopal, S., Schmidt, M., Anderson, S., Ihee, H. and Moffat, K.
    Analysis of experimental time-resolved crystallographic data by singular value decomposition.
    Acta Cryst. D60 (5) 860-871 (2004)
  6. Schmidt, M., Pahl, R., Srajer, V., Anderson, S., Ren, Z., Ihee, H., Rajagopal, S. and Moffat, K.
    Protein kinetics: Structures of intermediates and reaction mechanism from time-resolved x-ray data.
    PNAS 101 (14) 4799-4804 (2004)


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  1. Moffat K.
    The frontiers of time-resolved macromolecular crystallography: movies and chirped X-ray pulses.
    Faraday Discuss. 122: 65-77 (2003)
  2. Schmidt, M., Rajagopal, S., Ren, Z., and Moffat, K.
    Application of singular value decomposition to the analysis of time-resolved macromolecular x-ray data.
    Biophysical Journal 84: 2112-29 (2003)


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  1. Moffat, K.
    Time-resolved Biochemical Crystallography: A Mechanistic Perspective.
    Chem. Revs. 101: 1569-1581 (2001)
  2. Ren Z., Perman B., Srajer V., Teng T-.Y., Pradervand C., Bourgeois D., Schotte F., Ursby T., Kort R., Wulff M., and Moffat K.
    A Molecular Movie at 1.8 Å Resolution Displays the Photocycle of Photoactive Yellow Protein, a Eubacterial Blue-Light Receptor, from Nanoseconds to Seconds.
    Biochemistry 40: 13788-13801 (2001)
  3. Srajer V., Ren Z., Teng T-.Y., Schmidt M., Ursby T., Bourgeois D., Pradervand C., Schildkamp W., Wulff M., and Moffat K.
    Protein Conformational Relaxation and Ligand Migration in Myoglobin: A Nanosecond to Millisecond Molecular Movie from Time-Resolved Laue X-ray Diffraction.
    Biochemistry 40: 13802-13815 (2001)


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  1. Moffat K., Chengeux J-.P., Crothers D.M., Grubmuller H., Nienhaus G.U., Palma M.U., Parak F.G., Schulten K., and Warshel A.
    How Does Complexity Lead to an Apparently Simple Function?
    In "Dahlem Workshop on Simplicity and Complexity in Proteins and Nucleic Acids". Ed. H. Frauenfelder, J. Deisenhofer and P.G. Wolynes (2000)
  2. Moffat, K.
    Nanosecond Time-resolved X-ray Crystallography.
    Trans. Amer. Cryst. Assoc. 34: 39-42 (2000)
  3. Schotte F., Techert S., Anfinrud P. Srajer V., Moffat K., and Wulff, M.
    Recent Advances in the Generation of Pulsed Synchrotron Radiation Suitable for Picosecond Time-resolved X-ray Studies.
    In "Handbook on synchrotron radiation, Volume IV. Ed. D. Mills (2000)
  4. Srajer V., Crosson S., Schmidt M., Key J., Schotte F., Anderson S., Perman B., Ren, Z., Teng T-.Y., Bourgeois D., Wulff M., and Moffat K.
    Extraction of Accurate Structure Factor Amplitudes from Laue Data: Wavelength Normalization with Wiggler and Undulator X-Ray Sources.
    Journal of Synchrotron Radiation 7: 236-244 (2000)


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  1. Ren Z., Bourgeois D., Helliwell J.R., Moffat K., Srajer V., and Stoddard B.L.
    Laue Crystallography: Coming of Age.
    Journal of Synchrotron Radiation 6: 891-917 (1999)
  2. Moffat K.
    Time-resolved Crystallography.
    Acta Cryst. A 54:833-41 (1998)
  3. Moffat K.
    Ultrafast Time-resolved Crystallography.
    Nature Structural Biology 5 Suppl:641-3 (1998)
  4. Perman B., Srajer V., Ren Z., Teng T-.Y., Pradervand C., Ursby T., Bourgeois D., Schotte F., Wulff M., Kort R., Hellingwerf K., and Moffat K.
    Energy Transduction on the Nanosecond Time Scale: Early Structural Events in a Xanthopsin Photocycle
    Science 279:1946-50 (1998)
  5. Yang X., Ren Z., and Moffat K.
    Structure Refinement Against Synchrotron Laue Data: Strategies for Data Collection and Reduction.
    Acta Cryst. D 54:367-77 (1998)
  6. Genick U.K., Borgstahl G.E., Ng K., Ren Z., Pradervand C., Burke P.M., Srajer V., Teng T-.Y., Schildkamp W., McRee D.E., Moffat K., and Getzoff E.D.
    Structure of a protein photocycle intermediate by millisecond time-resolved crystallography.
    Science 275:1471-5 (1997)
  7. Moffat K., and Ren Z.
    Synchrotron Radiation Applications to Macromolecular Crystallography.
    Current Opinion in Structural Biology 7:689-96 (1997)
  8. Moffat K.
    Laue Diffraction.
    Methods in Enzymology 277:433-47 (1997)
  9. Wulff M., Schotte F., Naylor G., Bourgeois D., Moffat K., and Mourou G.
    Time-Resolved Structures of Macromolecules at the ESRF: Single-Pulse Laue Diffraction, Stroboscopic Data Collection and Femtosecond Flash Photolysis.
    Nucl. Instrum. and Meth. A398: 69-84 (1997)
  10. Bourgeois D., Ursby T., Wulff M., Pradervand C., LeGrand A., Schildkamp W., Laboure S., Srajer V., Teng T-.Y., Roth M., and Moffat K.
    Feasibility and Realization of Single-Pulse Laue Diffraction on Macromolecular Crystals at ESRF.
    J. Synchrotron Rad. 3:65-74 (1996)
  11. Moffat K.
    Time-Resolved Macromolecular Crystallography.
    Synch. Rad. News 9:15-18 (1996)
  12. Ren Z., Ng K., Borgstahl G.E.O., Getzoff E.D., and Moffat K.
    Quantitative Analysis of Time-Resolved Laue Diffraction Patterns.
    J. Appl. Cryst. 29:246-260 (1996)
  13. Srajer V., Teng T-.Y., Ursby T., Pradervand C., Ren Z., Adachi S., Schildkamp W., Bourgeois D., Wulff M., and Moffat K.
    Photolysis of the Carbon Monoxide Complex of Myoglobin: Nanosecond Time-resolved Crystallography.
    Science 274:1726-9 (1996).
  14. Bourgeois D, Ursby T, Wulff M, Pradervand C, Srajer V, LeGrand S, Schildkamp W, Laboure S, Rubin C, Teng TY, Roth M, Moffat K.
    Single Pulse Laue Images from Macromolecular Crystals
    recorded at ESRF. In "Time-Resolved Electron and X-Ray Diffraction" (Ed. P.M. Rentzepis) Proc. SPIE 2521:178-181 (1995)
  15. Ren Z., and Moffat K.
    Deconvolution of Energy Overlaps in Laue Diffraction.
    J. Appl. Cryst. 28:482-493 (1995)
  16. Ren Z., and Moffat K.
    Quantitative Analysis of Synchrotron Laue Diffraction Patterns in Macromolecular Crystallography.
    J. Appl. Cryst. 28:461-481 (1995)


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