Acta Crystallographica Section D

Biological Crystallography

Volume 66, Part 3 (March 2010)



[Issue Author Index][Volume Author Index]
[Cover illustration] Cover illustration: View of the pentamidine-d(ATATATATAT)2 complex (p. 251). The drug is in the minor groove at the centre of the sequence. The water molecules and one Mg2+ ion found in the minor groove are also shown. Hydrogen bonds are represented as dashed lines. The two ends of the duplex are different. At one end (top) the duplex forms standard Watson-Crick base pairs. At the other end (bottom) a Hoogsteen A·T base pair is present. Note that the Mg2+ ion is at the back of the duplex in this presentation.

research papers


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Acta Cryst. (2010). D66, 223-232  [ doi:10.1107/S0907444909053979 ]

Direct inter-subdomain interactions switch between the closed and open forms of the Hsp70 nucleotide-binding domain in the nucleotide-free state

M. Shida, A. Arakawa, R. Ishii, S. Kishishita, T. Takagi, M. Kukimoto-Niino, S. Sugano, A. Tanaka, M. Shirouzu and S. Yokoyama

Synopsis: In this study, the crystal structures of the human Hsp70 nucleotide-binding domain (NBD) fragment were determined in the nucleotide-free state and in complex with adenosine 5'-([beta],[gamma]-imido)triphosphate (AMPPNP).

PDB references: 2e88 and 2e8a

Online 12 February 2010


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Acta Cryst. (2010). D66, 233-242  [ doi:10.1107/S0907444909054298 ]

Structure of the unbound form of HIV-1 subtype A protease: comparison with unbound forms of proteases from other HIV subtypes

A. H. Robbins, R. M. Coman, E. Bracho-Sanchez, M. A. Fernandez, C. T. Gilliland, M. Li, M. Agbandje-McKenna, A. Wlodawer, B. M. Dunn and R. McKenna

Synopsis: The crystal structure of the unbound form of HIV-1 subtype A protease has been determined to 1.7 Å resolution. A detailed structural analysis and comparison of the unbound subtype A, B and C protease structures is presented. The results showed that although no inhibitor is present in the active site, the subtype A protease has flaps in the closed position.

PDB reference: 3ixo

Online 12 February 2010


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Acta Cryst. (2010). D66, 243-250  [ doi:10.1107/S0907444909055462 ]

Introduction of a leucine half-zipper engenders multiple high-quality crystals of a recalcitrant tRNA synthetase

M. Guo, R. Shapiro, P. Schimmel and X.-L. Yang

Synopsis: E. coli alanyl-tRNA synthetase is recalcitrant to crystallization. A group of leucine substitutions has transformed the protein.

Online 12 February 2010


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Acta Cryst. (2010). D66, 251-257  [ doi:10.1107/S0907444909055693 ]

Coiled-coil conformation of a pentamidine-DNA complex

T. Moreno, J. Pous, J. A. Subirana and J. L. Campos

Synopsis: The oligonucleotide d(ATATATATAT) has been crystallized as a coiled coil in the presence of pentamidine. The drug sits in the minor groove of the duplex, but shows a new form of interaction with DNA as a cross-linking agent. The duplex contains both Watson-Crick and Hoogsteen base pairs.

PDB reference: 3ey0

NDB reference: DD0102

Online 12 February 2010


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Acta Cryst. (2010). D66, 258-267  [ doi:10.1107/S0907444909055760 ]

pH-dependent structural changes in haemoglobin component V from the midge larva Propsilocerus akamusi (Orthocladiinae, Diptera)

T. Kuwada, T. Hasegawa, T. Takagi, I. Sato and F. Shishikura

Synopsis: The crystal structure of midge larval haemoglobin was determined at five different pH conditions. Comparison of these structures indicated that pH changes result in a swinging movement of the distal Arg residue and a partial shift of the F-helix C-terminus followed by haem tilting in this insect haemoglobin.

PDB references: 2zwj, 3a5a, 3a5b, 3a5g and 3a9m

Online 12 February 2010


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Acta Cryst. (2010). D66, 268-275  [ doi:10.1107/S0907444910000314 ]

Rapid model building of [alpha]-helices in electron-density maps

T. C. Terwilliger

Synopsis: A method for rapid model building of [alpha]-helices at moderate resolution is presented.

Online 12 February 2010


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Acta Cryst. (2010). D66, 276-284  [ doi:10.1107/S0907444910000302 ]

Rapid model building of [beta]-sheets in electron-density maps

T. C. Terwilliger

Synopsis: A method for rapid model building of [beta]-sheets at moderate resolution is presented.

Online 12 February 2010


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Acta Cryst. (2010). D66, 285-294  [ doi:10.1107/S0907444910000272 ]

Rapid chain tracing of polypeptide backbones in electron-density maps

T. C. Terwilliger

Synopsis: A method for rapid chain tracing of polypeptide backbones at moderate resolution is presented.

Online 12 February 2010


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Acta Cryst. (2010). D66, 295-303  [ doi:10.1107/S0907444910000879 ]

Structural insights into the assembly of the human and archaeal signal recognition particles

K. Wild, G. Bange, G. Bozkurt, B. Segnitz, A. Hendricks and I. Sinning

Synopsis: The structures of the human and a crenarchaeal SRP19-SRP RNA complex reveal general features of SRP S-domain organization and allow an update of the SRP-assembly paradigm.

PDB references: 3ktv and 3ktw

Online 12 February 2010


short communications


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Acta Cryst. (2010). D66, 304-308  [ doi:10.1107/S0907444909051798 ]

Getting the best out of long-wavelength X-rays: de novo chlorine/sulfur SAD phasing of a structural protein from ATV

A. Goulet, G. Vestergaard, C. Felisberto-Rodrigues, V. Campanacci, R. A. Garrett, C. Cambillau and M. Ortiz-Lombardía

Synopsis: The solution of a structural protein from the Acidianus two-tailed virus using long-wavelength SAD phasing suggests a systematic approach for the solution of protein crystal structures by taking advantage of the anomalous signal of serendipitously associated chloride ions from the solvent.

PDB reference: 3faj

Online 12 February 2010


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Acta Cryst. (2010). D66, 309-313  [ doi:10.1107/S0907444909053244 ]

Structure determination using poorly diffracting membrane-protein crystals: the H+-ATPase and Na+,K+-ATPase case history

B. P. Pedersen, J. P. Morth and P. Nissen

Synopsis: Procedures for heavy-atom site identification by molecular replacement at low resolution and for density modification by multi-crystal averaging using quasi-isomorphous diffraction data are presented. The procedures are based on the case history from the structure determination of H+-ATPase and Na+, K+-ATPase and have been successfully applied to the transporter Mhp1 to reveal general applicability.

Online 12 February 2010


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Acta Cryst. (2010). D66, 314-318  [ doi:10.1107/S0907444909054535 ]

Accommodation of structural rearrangements in the huntingtin-interacting protein 1 coiled-coil domain

J. D. Wilbur, P. K. Hwang, F. M. Brodsky and R. J. Fletterick

Synopsis: Variable packing interaction related to the conformational flexibility within the huntingtin-interacting protein 1 coiled coil domain.

PDB reference: 3i00

Online 12 February 2010


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Acta Cryst. (2010). D66, 319-323  [ doi:10.1107/S0907444909055504 ]

Deleting two C-terminal [alpha]-helices is effective to crystallize the bacterial ABC transporter Escherichia coli MsbA complexed with AMP-PNP

K. Terakado, A. Kodan, H. Nakano, Y. Kimura, K. Ueda, T. Nakatsu and H. Kato

Synopsis: Deleting two C-terminal [alpha]-helices of the MsbA molecule from E. coli improved its crystallizability and generated new crystal forms of the complex with adenosine 5'-([beta],[gamma]-imido)triphosphate that had an outward-facing conformation.

Online 12 February 2010


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