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Gallery of structures solved at BioCARS beamlines (from the Protein Data Bank):
Please include the following paragraph in all publications based on data obtained at BioCARS:
Use of the Advanced Photon Source was supported by the U.S. Department of Energy, Basic Energy Sciences, Office of Science, under Contract No. DE-AC02-06CH11357. Use of the BioCARS Sector 14 was supported by the National Institutes of Health, National Center for Research Resources, under grant number RR007707.
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).
Publications by BioCARS Staff
2008 | 2007 | 2006 | 2005 | 2004 | 2003 | 2002 | 20012009
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 2009; 17(11): 1494-1504
abstract
Möglich, A., R.A. Ayers, K. Moffat
Structure and Signaling Mechanism of Per-ARNT-Sim Domains
Structure 2009; 17(10): 1282-1294
abstract
Möglich, A. R.A. Ayers, K. Moffat
Design and signaling mechanism of light-regulated histidine kinases
Journal of Molecular Biology 2009; 385(5): 1433-1444
abstract
X. Yang, J. Kuk, K. Moffat
Conformational differences between the Pfr and Pr states in Pseudomonas aeruginosa bacteriophytochrome
PNAS 2009; 106:15639-15644
abstract
2008
R.A. Ayers, K. Moffat
Changes in quaternary structure in the signaling mechanisms of PAS domains
Biochemistry (Wash.) 2008; 47(46): 12078-12086
abstract
Gabrysch, M., E. Marklund, J. Hajdu, D. J. Twitchen, J. Rudati, A. M. Lindenberg, C. Caleman, R. W. Falcone, T. Tschentscher, K. Moffat, P. H. Bucksbaum, J. Als-Nielsen, A. J. Nelson, D. P. Siddons, P. J. Emma, P. Krejcik, H. Schlarb, J. Arthur, S. Brennan, J. Hastings, and J. Isberg
Formation of secondary electron cascades in single-crystalline plasma-deposited diamond upon exposure to femtosecond x-ray pulses
J. Appl. Phys. 2008; 103: 064909
abstract
Lindenberg, A., S. Engemann, K. Gaffney, K. Sokolowski-Tinten, J. Larsson, P.
Hillyard, D. Reis, D. Fritz, J. Arthur, R. Akre, M. George, A. Deb, P.
Bucksbaum, J. Hajdu, D. Meyer, M. Nicoul, C. Blome, Th. Tschentscher, A.
Cavalieri, R. Falcone, S. Lee, R. Pahl, J. Rudati, P. Fuoss, A. Nelson, P.
Krejcik, D. Siddons, P. Lorazo, and J. Hastings
X-Ray diffuse scattering
measurements of nucleation dynamics at femtosecond resolution
Phys Rev Lett. 2008; 100: 135502
abstract
Srajer, Vukica, and William E. Royer Jr.
Time-resolved x-ray crystallography of heme proteins
Methods Enzymol. 2008; 437: 379-395
abstract
Strickland, Devin, Keith Moffat, and Tobin R. Sosnick
Light-activated DNA binding in a designed allosteric protein
PNAS, 2008; 105: 10709-10714
abstract
Yang, Xiaojing, Jane Kuk, Keith Moffat
Crystal structure of Pseudomonas aeruginosa bacteriophytochrome: Photoconversion and signal transduction
PNAS 105 14715-14720 (2008)
abstract
2007
Chinte U., B. Shah, Y.S. Chen, A.A. Pinkerton, C.A. Schall, B.L. Hanson
Cryogenic (<20 K) helium cooling mitigates radiation damage to protein crystals.
Acta Cryst. 2007; D63(4): 486-492
abstract
Chiua, W., K. Moffat
Biophysical methods: structure, dynamics and gorgeous images
Curr. Opin. Struct. Biol. 2007; 17(5): 546-548
Darnell, Gregory, Joseph P.R.O. Orgel, Reinhard Pahl, Stephen C. Meredith
Flanking polyproline sequences inhibit β-sheet structure in polyglutamine segments by inducing PPII-like helix structure
J. Mol.
Biol. 2007; 374(3): 688-704
abstract
Hillyard, P.B., K.J. Gaffney, A.M. Lindenberg, S. Engemann, R.A. Akre, J. Arthur, C. Blome, P.H. Bucksbaum, A.L. Cavalieri, A. Deb, R.W. Falcone, D.M. Fritz, P.H. Fuoss, J. Hajdu, P. Krejcik, J. Larsson, S.H. Lee, D.A. Meyer, A.J. Nelson, R. Pahl, D.A. Reis, J. Rudati, D.P. Siddons, K. Sokolowski-Tinten, D. von der Linde, J.B. Hastings
Carrier-density-dependent lattice stability in InSb
Phys Rev Lett. 2007; 98(12):125501
abstract
Lei, N.
Structure reconstruction with Ewald sphere curvature considerations
J. Phys. Condens. Matter 2007; 19(21): 216215
abstract
Lei, N.
Study of non-Bragg scattering for crystals with substitution disorder: a theoretical approach.
J. Phys. Condens. Matter 2007; 19(23): 236232
abstract
Lei, Ning
Direct Bragg-peak phase retrieval by a hybrid-input-output algorithm with proper intensity normalization
Acta Cryst. 2007; A63(1): 66-76
abstract
Fisher, S.Z., S. Anderson, R. Henning, K. Moffat, P. Langan, P. Thiyagarajan, A.J. Schultz
Neutron and X-ray structural studies of short hydrogen bonds in photoactive yellow protein (PYP)
Acta Cryst. 2007; D63(11): 1178-1184
abstract
Fritz, D. M., D. A. Reis, B. Adams, R. A. Akre, J. Arthur, C. Blome, P. H. Bucksbaum, A. L. Cavalieri, S. Engemann, S. Fahy, R. W. Falcone, P. H. Fuoss, K. J. Gaffney, M. J. George, J. Hajdu, M. P. Hertlein, P. B. Hillyard, M. Horn-von Hoegen, M. Kammler, J. Kaspar, R. Kienberger, P. Krejcik, S. H. Lee, A. M. Lindenberg, B. McFarland, D. Meyer, T. Montagne, E. D. Murray, A. J. Nelson, M. Nicoul, R. Pahl, J. Rudati, H. Schlarb, D. P. Siddons, K. Sokolowski-Tinten, Th. Tschentscher, D. von der Linde, and J. B. Hastings
Ultrafast Bond Softening in Bismuth: Mapping a Solid's Interatomic Potential with X-rays.
Science, February 2007; 315(5812): 633-636
abstract
Halavaty, Andrei S., Keith Moffat
N- and C-Terminal Flanking Regions Modulate Light-Induced Signal Transduction in the LOV2 Domain of the Blue Light Sensor Phototropin 1 from Avena sativa
Biochemistry (Wash.) 2007; 46(49): 14001-14009
abstract
Key, Jason, Marco Hefti, Erin B. Purcell, Keith Moffat
Structure of the Redox Sensor Domain of Azotobacter vinelandii NifL at Atomic Resolution: Signaling, Dimerization, and Mechanism.
Biochemistry 2007; 46(12): 3614-3623
abstract
Key, Jason, Vukica Srajer, Reinhard Pahl, Keith Moffat
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 2007; 46(16): 4706 -4715
abstract | (Hot Article for April 2007)
Möglich, Andreas, Keith Moffat
Structural Basis for Light-dependent Signaling in the Dimeric LOV Domain of the Photosensor YtvA
J. Mol. Biol. 2007; 373(1): 112-126
abstract
Pearson, Arwen R., Reinhard Pahl, Elena G. Kovaleva, Victor L. Davidson, Carrie M. Wilmot
Tracking X-ray-derived redox changes in crystals of a methylamine dehydrogenase/amicyanin complex using single-crystal UV/Vis microspectrophotometry.
J. Synchrotron Rad. 2007; 14(1): 92-98 (2007)
abstract
Poulsen, R.D., M.R. Jørgensen, J. Overgaard, F.K. Larsen, W. Morgenroth, T. Graber, Y.S. Chen, B.B. Iversen
Synchrotron X-ray charge-density study of coordination polymer [Mn(HCOO)2(H2O)2]infinity.
Chemistry 2007; 13(35) :9775-90
abstract
Yang, X, E.A. Stojkovic, J. Kuk, and K. Moffat
Crystal structure of the chromophore binding domain of an unusual bacteriophytochrome, RpBphP3, reveals residues that modulate photoconversion.
PNAS 2007; 104(30): 12571-12576
abstract
2006
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)
abstract
Lovelace, Jeffrey J., Cameron R. Murphy, Reinhard Pahl, Keith Brister, Gloria E.O. Borgstahl
Tracking reflections through cryogenic cooling with topography.
J. Appl. Cryst. 39 (3) 425-432 (2006)
abstract
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
J. C. Stroud, Y. Wu, D. L. Bates, A. Han, K. Nowick, S. Paabo, H. Tong, L. Chen
Structure of the Forkhead Domain of FOXP2 Bound to DNA.
Structure 14 (1) 159-166 (2006)
abstract
Yeremenko, Sergey, Ivo H.M. van Stokkum, Keith Moffat, Klaas J. Hellingwerf
Influence of the Crystalline State on Photoinduced Dynamics of Photoactive Yellow Protein Studied by Ultraviolet-Visible Transient Absorption Spectroscopy.
Biophysical Journal 90:4224-4235 (2006)
abstract
Hua Yuan, Spencer Anderson, Shinji Masuda, Vladimira Dragnea, Keith Moffat, and Carl Bauer
Crystal Structures of the Synechocystis Photoreceptor Slr1694 Reveal Distinct Structural States Related to Signaling.
Biochemistry (Wash.) 45 (42) 12687-12694 (2006)
abstract
2005
S. Anderson, V. Dragnea, S. Masuda, J. Ybe, K. Moffat, C. Bauer
Structure of a Novel Photoreceptor, the BLUF Domain of AppA from Rhodobacter sphaeroides.
Biochemistry (Wash.) 44 (22) 7998-8005 (2005)
abstract
A. L. Cavalieri, D.M. Fritz, S.H. Lee, P.H. Bucksbaum, D.A. Reis, J. Rudati, D.M. Mills, P.H. Fuoss, G.B. Stephenson, C.C. Kao, D.P. Siddons, D.P. Lowney, A.G. MacPhee, D. Weinstein, R.W. Falcone, R. Pahl, J. Als-Nielsen, C. Blome, S. Dsterer, R. Ischebeck, H. Schlarb, H. Schulte-Schrepping, T. Tschentscher, J. Schneider, O. Hignette, F. Sette, K. Sokolowski-Tinten, H.N. Chapman, R.W. Lee, T.N. Hansen, O. Synnergren, J. Larsson, S. Techert, J. Sheppard, J.S. Wark, M. Bergh, C. Caleman, G. Huldt, D. van der Spoel, N. Timneanu, J. Hajdu, R.A. Akre, E. Bong, P. Emma, P. Krejcik, J. Arthur, S. Brennan, K.J. Gaffney, A.M. Lindenberg, K. Luening, J.B. Hastings
Clocking femtosecond x-rays.
Physical Review Letters 94 114801-4 (2005)
abstract
K.J. Gaffney, A.M. Lindenberg, J. Larsson, K. Sokolowski-Tinten, C. Blome, O. Synnergren, J. Sheppard, C. Caleman, A.G. MacPhee, D. Weinstein, D.P. Lowney, T.K. Allison, T. Matthews, R.W. Falcone, A.L. Cavalieri, D.M. Fritz, S.H. Lee, P.H. Bucksbaum, D.A. Reis, J. Rudati, P.H. Fuoss, C.C. Kao, D.P. Siddons, R. Pahl, K. Moffat, J. Als-Nielsen, S. Duesterer, R. Ischebeck, H. Schlarb, H. Schulte-Schrepping, Th. Tschentscher, J. Schneider, D. Von der Linde, O. Hignette, F. Sette, H.N. Chapman, R.W. Lee, T.N. Hansen, S. Techert, J.S. Wark, M. Bergh, G. Huldt, D. van der Spoel, N. Timneanu, J. Hajdu, R.A. Akre, E. Bong, P. Krejcik, J. Arthur, S. Brennan, K. Luening, J.B. Hastings
Observation of structural anisotropy and the onset of liquid like motion during the non-thermal melting of InSb.
Physical Review Letters 95 125701-5 (2005)
abstract
H. Ihee, S. Rajagopal, V. Srajer, R. Pahl, S. Anderson, M. Schmidt, F. Schotte, P. A. Anfinrud, M. Wulff, K. Moffat
Visualizing reaction pathways in photoactive yellow protein from nanoseconds to seconds.
PNAS 102 (20) 7145-7150 (2005)
abstract
J. Key, K. Moffat
Crystal Structures of Deoxy and CO-Bound bjFixLH Reveal Details of Ligand Recognition and Signaling.
Biochemistry (Wash.) 44 (12) 4627-4635 (2005)
abstract
T. Lin, W. Schildkamp, K. Brister, P.C. Doerschuk, M. Somayazulu, H. Mao, J.E. Johnson
The mechanism of high pressure induced ordering in a macromolecular crystal.
Acta Cryst. D61 737-743 (2005)
abstract
A.M. Lindenberg, J. Larsson, K. Sokolowski-Tinten, K.J. Gaffney, C. Blome, O. Synnergren, J. Sheppard, C. Caleman, A.G. MacPhee, D. Weinstein, D.P. Lowney, T.K. Allison, T. Matthews, R.W. Falcone, A.L. Cavalieri, D.M. Fritz, S.H. Lee, P.H. Bucksbaum, D.A. Reis, J. Rudati, P.H. Fuoss, C.C. Kao, D.P. Siddons, R. Pahl, J. Als-Nielsen, S. Duesterer, R. Ischebeck, H. Schlarb, H. Schulte-Schrepping, T. Tschentscher, J. Schneider, D. Von der Linde, O. Hignette, F. Sette, H.N. Chapman, R.W. Lee, T.N. Hansen, S. Techert, J.S. Wark, M. Bergh, G. Huldt, D. van der Spoel, N. Timneanu, J. Hajdu, R.A. Akre, E. Bong, P. Krejcik, J. Arthur, S. Brennan, K. Luening, J.B. Hastings
Atomic-scale visualization of inertial dynamics.
Science 308 392-395 (2005)
abstract
J. J. Lovelace, C. R. Murphy, H. D. Bellamy, K. Brister, R. Pahl, G. E.O. Borgstahl
Advances in digital topography for characterizing imperfections in protein crystals.
J. Appl. Cryst. 38 (3) 512-519 (2005)
abstract
S. Rajagopal, S. Anderson, V. Srajer, M. Schmidt, R. Pahl, K. Moffat
A Structural Pathway for Signaling in the E46Q Mutant of Photoactive Yellow Protein.
Structure 13 (1) 55-63 (2005)
abstract
Schmidt, M., H. Ihee, R. Pahl, V. Srajer
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)
abstract
M. Schmidt, K. Nienhaus, R. Pahl, A. Krasselt, S. Anderson, F. Parak, G. U. Nienhaus, V. Srajer
Ligand migration pathway and protein dynamics in myoglobin: A time-resolved crystallographic study on L29W MbCO.
PNAS 102 (33) 11704-11709 (2005)
abstract
2004
S. Anderson, S. Crosson, K. Moffat
Short hydrogen bonds in photoactive yellow protein.
Acta Cryst. D60 1008-1016 (2004)
abstract
S. Anderson, V. Srajer, K. Moffat
Structural Heterogeneity of Cryotrapped Intermediates in Photoactive Yellow Protein.
Photochem. Photobiol. 80 (1) 7-14 (2004)
abstract
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)
abstract
R. H.G. Baxter, N. Ponomarenko, V. Srajer, R. Pahl, K. Moffat, J. R. Norris
Time-resolved crystallographic studies of light-induced structural changes in the photosynthetic reaction center.
PNAS 101 (16) 5982-5987 (2004)
abstract
M. Gauden, S. Crosson, I.H. van Stokkum, R. van Grondelle, K. Moffat, J. T. Kennis
Low-temperature and time-resolved spectroscopic characterization of the LOV2 domain of Avena sativa phototropin.
Proc. SPIE 5463 97-104 (2004)
abstract
J. T. M. Kennis, N. H. M. van Stokkum, S. Crosson, M. Gauden, K. Moffat, R. van Grondelle
The LOV2 domain of phototropin: A reversible photochromic switch.
J. Am. Chem. Soc. 126 (14) 4512-4513 (2004)
abstract
J. E. Knapp, V. Srajer, R. Pahl, W. E. Royer, Jr
Immobilization of Scapharca HbI crystals improves data quality in time-resolved crystallographic experiments.
Micron 35 107-108 (2004)
abstract
S. Rajagopal, J. M. Key, E. B. Purcell, D. J. Boerema, K. Moffat
Purification and initial characterization of a putative blue light-regulated phosphodiesterase from Escherichia coli.
Photochem Photobiol. 80 (3) 542-7 (2004)
abstract
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)
abstract
S. Rajagopal, M. Schmidt, S. Anderson, H. Ihee, K. Moffat
Analysis of experimental time-resolved crystallographic data by singular value decomposition.
Acta Cryst. D60 (5) 860-871 (2004)
abstract
M. Schmidt, R. Pahl, V. Srajer, S. Anderson, Z. Ren, H. Ihee, S. Rajagopal, K. Moffat
Protein kinetics: Structures of intermediates and reaction mechanism from time-resolved x-ray data.
PNAS 101 (14) 4799-4804 (2004)
abstract
2003
S. Crosson, S. Rajagopal, K. Moffat
The LOV Domain Family: Photoresponsive Signaling Modules Coupled to Diverse Output Domains.
Biochemistry (Wash.) 42 (1) 2-10 (2003)
abstract
J. T. M. Kennis, S. Crosson, M. Gauden, I. H. M. van Stokkum, K. Moffat K, R. van Grondelle
Primary reactions of the LOV2 domain of phototropin, a plant blue-light photoreceptor.
Biochemistry (Wash.) 42 (12) 3385-3392 (2003)
abstract
K. Moffat
The frontiers of time-resolved macromolecular crystallography: movies and chirped X-ray pulses.
Faraday Discuss. 122 65-77 (2003)
abstract
K. Moffat, B. T. Chait
Biophysical methods: doing more with less.
Curr. Opin. Struct. Biol. 13 (5) 535-537 (2003)
abstract
S. Rajagopal, K. Moffat
Crystal structure of a photoactive yellow protein from a sensor histidine kinase: Conformational variability and signal transduction.
PNAS 100 (4) 1649-1654 (2003)
abstract
M. Schmidt, S. Rajagopal, Z. Ren, K. Moffat
Application of Singular Value Decomposition to the Analysis of Time-Resolved Macromolecular X-Ray Data.
Biophys. J. 84 (3) 2112-2129 (2003)
abstract
2002
S. Crosson, K. Moffat
Photoexcited Structure of a Plant Photoreceptor Domain Reveals a Light-Driven Molecular Switch.
Plant Cell 14 (5) 1067-1075 (2002)
abstract
W. Schildkamp
Monochromator crystal mounting stage.
Rev. Sci. Instrum 73 (3) 1571-1573 (2002)
abstract
T.-Y. Teng, K. Moffat
Radiation damage of protein crystals at cryogenic temperatures between 40K and 150K.
J. Synchrotron Rad. 9 (4) 198-201 (2002)
abstract
2001
S. Crosson, K. Moffat
Structure of a flavin-binding plant photoreceptor domain: Insights into light-mediated signal transduction.
PNAS 98 (6) 2995-3000 (2001)
abstract
K. Moffat
Time-resolved Biochemical Crystallography: a Mechanistic Perspective.
Chem. Rev. 101 (6) 1569-1581 (2001)
abstract
K. Moffat
Laue crystallography: time resolved studies.
in International Tables for X-ray Crystallography, Volume F: Macromolecular Crystallography (Arnold, E. and Rossmann, M., eds.), Dordrecht:Kluwer Academic Publishers, The Netherlands, pp. 167-176 (2001)
abstract
Z. Ren, B. Perman, V. Srajer, Z. Ren, T. -Y Teng, C. Pradervand, D. Bourgeois, F. Schotte, T. Ursby, M. Wulff, R. Kort, K. 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 (Wash.) 40 (46) 13788-13801 (2001)
abstract
V. Srajer, Z. Ren, T. -Y Teng, M. Schmidt, T. Ursby, D. Bourgeois, C. Pradervand, W. Schildkamp, M. Wulff, K. Moffat
Protein conformation relaxation and ligand migration in myoglobin: a ns-ms molecular movie from time-resolved Laue X-ray diffraction studies.
Biochemistry (Wash.) 40 (46) 13802-13815 (2001)
abstract