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Items: 1 to 50 of 88

1.

DNA Topoisomerase Inhibitors: Trapping a DNA-Cleaving Machine in Motion.

Bax BD, Murshudov G, Maxwell A, Germe T.

J Mol Biol. 2019 Aug 23;431(18):3427-3449. doi: 10.1016/j.jmb.2019.07.008. Epub 2019 Jul 10. Review.

2.

Correction to: Joint X-ray/NMR structure refinement of multidomain/multisubunit systems.

Carlon A, Ravera E, Parigi G, Murshudov GN, Luchinat C.

J Biomol NMR. 2019 Jul;73(6-7):279. doi: 10.1007/s10858-019-00238-4.

PMID:
31069606
3.

Analysis and validation of macromolecular B values.

Masmaliyeva RC, Murshudov GN.

Acta Crystallogr D Struct Biol. 2019 May 1;75(Pt 5):505-518. doi: 10.1107/S2059798319004807. Epub 2019 Apr 30.

4.

Announcing mandatory submission of PDBx/mmCIF format files for crystallographic depositions to the Protein Data Bank (PDB).

Adams PD, Afonine PV, Baskaran K, Berman HM, Berrisford J, Bricogne G, Brown DG, Burley SK, Chen M, Feng Z, Flensburg C, Gutmanas A, Hoch JC, Ikegawa Y, Kengaku Y, Krissinel E, Kurisu G, Liang Y, Liebschner D, Mak L, Markley JL, Moriarty NW, Murshudov GN, Noble M, Peisach E, Persikova I, Poon BK, Sobolev OV, Ulrich EL, Velankar S, Vonrhein C, Westbrook J, Wojdyr M, Yokochi M, Young JY.

Acta Crystallogr D Struct Biol. 2019 Apr 1;75(Pt 4):451-454. doi: 10.1107/S2059798319004522. Epub 2019 Apr 8. No abstract available.

PMID:
30988261
5.

Joint X-ray/NMR structure refinement of multidomain/multisubunit systems.

Carlon A, Ravera E, Parigi G, Murshudov GN, Luchinat C.

J Biomol NMR. 2019 Jul;73(6-7):265-278. doi: 10.1007/s10858-018-0212-3. Epub 2018 Oct 11. Erratum in: J Biomol NMR. 2019 May 8;:.

PMID:
30311122
6.

Pathological macromolecular crystallographic data affected by twinning, partial-disorder and exhibiting multiple lattices for testing of data processing and refinement tools.

Campeotto I, Lebedev A, Schreurs AMM, Kroon-Batenburg LMJ, Lowe E, Phillips SEV, Murshudov GN, Pearson AR.

Sci Rep. 2018 Oct 5;8(1):14876. doi: 10.1038/s41598-018-32962-6.

7.

Structures of filaments from Pick's disease reveal a novel tau protein fold.

Falcon B, Zhang W, Murzin AG, Murshudov G, Garringer HJ, Vidal R, Crowther RA, Ghetti B, Scheres SHW, Goedert M.

Nature. 2018 Sep;561(7721):137-140. doi: 10.1038/s41586-018-0454-y. Epub 2018 Aug 29.

8.

Current approaches for the fitting and refinement of atomic models into cryo-EM maps using CCP-EM.

Nicholls RA, Tykac M, Kovalevskiy O, Murshudov GN.

Acta Crystallogr D Struct Biol. 2018 Jun 1;74(Pt 6):492-505. doi: 10.1107/S2059798318007313. Epub 2018 May 30. Review.

9.

Overview of refinement procedures within REFMAC5: utilizing data from different sources.

Kovalevskiy O, Nicholls RA, Long F, Carlon A, Murshudov GN.

Acta Crystallogr D Struct Biol. 2018 Mar 1;74(Pt 3):215-227. doi: 10.1107/S2059798318000979. Epub 2018 Mar 2.

10.

Background modelling of diffraction data in the presence of ice rings.

Parkhurst JM, Thorn A, Vollmar M, Winter G, Waterman DG, Fuentes-Montero L, Gildea RJ, Murshudov GN, Evans G.

IUCrJ. 2017 Aug 8;4(Pt 5):626-638. doi: 10.1107/S2052252517010259. eCollection 2017 Sep 1.

11.

AUSPEX: a graphical tool for X-ray diffraction data analysis.

Thorn A, Parkhurst J, Emsley P, Nicholls RA, Vollmar M, Evans G, Murshudov GN.

Acta Crystallogr D Struct Biol. 2017 Sep 1;73(Pt 9):729-737. doi: 10.1107/S205979831700969X. Epub 2017 Aug 8.

12.

Cryo-EM structures of tau filaments from Alzheimer's disease.

Fitzpatrick AWP, Falcon B, He S, Murzin AG, Murshudov G, Garringer HJ, Crowther RA, Ghetti B, Goedert M, Scheres SHW.

Nature. 2017 Jul 13;547(7662):185-190. doi: 10.1038/nature23002. Epub 2017 Jul 5.

13.

Low Resolution Refinement of Atomic Models Against Crystallographic Data.

Nicholls RA, Kovalevskiy O, Murshudov GN.

Methods Mol Biol. 2017;1607:565-593. doi: 10.1007/978-1-4939-7000-1_23. Review.

PMID:
28573589
14.

Data mining of iron(II) and iron(III) bond-valence parameters, and their relevance for macromolecular crystallography.

Zheng H, Langner KM, Shields GP, Hou J, Kowiel M, Allen FH, Murshudov G, Minor W.

Acta Crystallogr D Struct Biol. 2017 Apr 1;73(Pt 4):316-325. doi: 10.1107/S2059798317000584. Epub 2017 Mar 31.

15.

AceDRG: a stereochemical description generator for ligands.

Long F, Nicholls RA, Emsley P, Graǽulis S, Merkys A, Vaitkus A, Murshudov GN.

Acta Crystallogr D Struct Biol. 2017 Feb 1;73(Pt 2):112-122. doi: 10.1107/S2059798317000067. Epub 2017 Feb 1.

16.

Validation and extraction of molecular-geometry information from small-molecule databases.

Long F, Nicholls RA, Emsley P, Graǽulis S, Merkys A, Vaitkus A, Murshudov GN.

Acta Crystallogr D Struct Biol. 2017 Feb 1;73(Pt 2):103-111. doi: 10.1107/S2059798317000079. Epub 2017 Feb 1.

17.

Robust background modelling in DIALS.

Parkhurst JM, Winter G, Waterman DG, Fuentes-Montero L, Gildea RJ, Murshudov GN, Evans G.

J Appl Crystallogr. 2016 Oct 21;49(Pt 6):1912-1921. eCollection 2016 Dec 1.

18.

Automated refinement of macromolecular structures at low resolution using prior information.

Kovalevskiy O, Nicholls RA, Murshudov GN.

Acta Crystallogr D Struct Biol. 2016 Oct 1;72(Pt 10):1149-1161. Epub 2016 Sep 30.

19.

Refinement of Atomic Structures Against cryo-EM Maps.

Murshudov GN.

Methods Enzymol. 2016;579:277-305. doi: 10.1016/bs.mie.2016.05.033. Epub 2016 Jun 24. Review.

PMID:
27572731
20.

Outcome of the First wwPDB/CCDC/D3R Ligand Validation Workshop.

Adams PD, Aertgeerts K, Bauer C, Bell JA, Berman HM, Bhat TN, Blaney JM, Bolton E, Bricogne G, Brown D, Burley SK, Case DA, Clark KL, Darden T, Emsley P, Feher VA, Feng Z, Groom CR, Harris SF, Hendle J, Holder T, Joachimiak A, Kleywegt GJ, Krojer T, Marcotrigiano J, Mark AE, Markley JL, Miller M, Minor W, Montelione GT, Murshudov G, Nakagawa A, Nakamura H, Nicholls A, Nicklaus M, Nolte RT, Padyana AK, Peishoff CE, Pieniazek S, Read RJ, Shao C, Sheriff S, Smart O, Soisson S, Spurlino J, Stouch T, Svobodova R, Tempel W, Terwilliger TC, Tronrud D, Velankar S, Ward SC, Warren GL, Westbrook JD, Williams P, Yang H, Young J.

Structure. 2016 Apr 5;24(4):502-508. doi: 10.1016/j.str.2016.02.017.

21.

How to tackle protein structural data from solution and solid state: An integrated approach.

Carlon A, Ravera E, Andrałojć W, Parigi G, Murshudov GN, Luchinat C.

Prog Nucl Magn Reson Spectrosc. 2016 Feb;92-93:54-70. doi: 10.1016/j.pnmrs.2016.01.001. Epub 2016 Jan 21. Review.

PMID:
26952192
22.

MutS/MutL crystal structure reveals that the MutS sliding clamp loads MutL onto DNA.

Groothuizen FS, Winkler I, Cristóvão M, Fish A, Winterwerp HH, Reumer A, Marx AD, Hermans N, Nicholls RA, Murshudov GN, Lebbink JH, Friedhoff P, Sixma TK.

Elife. 2015 Jul 11;4:e06744. doi: 10.7554/eLife.06744.

23.

Structures of actin-like ParM filaments show architecture of plasmid-segregating spindles.

Bharat TA, Murshudov GN, Sachse C, Löwe J.

Nature. 2015 Jul 2;523(7558):106-10. doi: 10.1038/nature14356. Epub 2015 Apr 27.

24.

Tools for macromolecular model building and refinement into electron cryo-microscopy reconstructions.

Brown A, Long F, Nicholls RA, Toots J, Emsley P, Murshudov G.

Acta Crystallogr D Biol Crystallogr. 2015 Jan 1;71(Pt 1):136-53. doi: 10.1107/S1399004714021683. Epub 2015 Jan 1.

25.

Data to knowledge: how to get meaning from your result.

Berman HM, Gabanyi MJ, Groom CR, Johnson JE, Murshudov GN, Nicholls RA, Reddy V, Schwede T, Zimmerman MD, Westbrook J, Minor W.

IUCrJ. 2015 Jan 1;2(Pt 1):45-58. doi: 10.1107/S2052252514023306. eCollection 2015 Jan 1. Review.

26.

Structure of the large ribosomal subunit from human mitochondria.

Brown A, Amunts A, Bai XC, Sugimoto Y, Edwards PC, Murshudov G, Scheres SHW, Ramakrishnan V.

Science. 2014 Nov 7;346(6210):718-722. doi: 10.1126/science.1258026. Epub 2014 Oct 2.

27.

Conformation-independent structural comparison of macromolecules with ProSMART.

Nicholls RA, Fischer M, McNicholas S, Murshudov GN.

Acta Crystallogr D Biol Crystallogr. 2014 Sep;70(Pt 9):2487-99. doi: 10.1107/S1399004714016241. Epub 2014 Aug 29.

28.

The PDB_REDO server for macromolecular structure model optimization.

Joosten RP, Long F, Murshudov GN, Perrakis A.

IUCrJ. 2014 May 30;1(Pt 4):213-20. doi: 10.1107/S2052252514009324. eCollection 2014 Jul 1.

29.

Initiation of translation by cricket paralysis virus IRES requires its translocation in the ribosome.

Fernández IS, Bai XC, Murshudov G, Scheres SH, Ramakrishnan V.

Cell. 2014 May 8;157(4):823-31. doi: 10.1016/j.cell.2014.04.015. Epub 2014 May 1.

30.

Simultaneous use of solution NMR and X-ray data in REFMAC5 for joint refinement/detection of structural differences.

Rinaldelli M, Ravera E, Calderone V, Parigi G, Murshudov GN, Luchinat C.

Acta Crystallogr D Biol Crystallogr. 2014 Apr;70(Pt 4):958-67. doi: 10.1107/S1399004713034160. Epub 2014 Mar 19.

31.

Structure of the yeast mitochondrial large ribosomal subunit.

Amunts A, Brown A, Bai XC, Llácer JL, Hussain T, Emsley P, Long F, Murshudov G, Scheres SHW, Ramakrishnan V.

Science. 2014 Mar 28;343(6178):1485-1489. doi: 10.1126/science.1249410.

32.

High-resolution noise substitution to measure overfitting and validate resolution in 3D structure determination by single particle electron cryomicroscopy.

Chen S, McMullan G, Faruqi AR, Murshudov GN, Short JM, Scheres SH, Henderson R.

Ultramicroscopy. 2013 Dec;135:24-35. doi: 10.1016/j.ultramic.2013.06.004. Epub 2013 Jun 21.

33.

How good are my data and what is the resolution?

Evans PR, Murshudov GN.

Acta Crystallogr D Biol Crystallogr. 2013 Jul;69(Pt 7):1204-14. doi: 10.1107/S0907444913000061. Epub 2013 Jun 13.

34.

PDB_REDO: constructive validation, more than just looking for errors.

Joosten RP, Joosten K, Murshudov GN, Perrakis A.

Acta Crystallogr D Biol Crystallogr. 2012 Apr;68(Pt 4):484-96. doi: 10.1107/S0907444911054515. Epub 2012 Mar 16.

35.

JLigand: a graphical tool for the CCP4 template-restraint library.

Lebedev AA, Young P, Isupov MN, Moroz OV, Vagin AA, Murshudov GN.

Acta Crystallogr D Biol Crystallogr. 2012 Apr;68(Pt 4):431-40. doi: 10.1107/S090744491200251X. Epub 2012 Mar 17.

36.

Low-resolution refinement tools in REFMAC5.

Nicholls RA, Long F, Murshudov GN.

Acta Crystallogr D Biol Crystallogr. 2012 Apr;68(Pt 4):404-17. doi: 10.1107/S090744491105606X. Epub 2012 Mar 16.

37.

Structural characterization of Helicobacter pylori dethiobiotin synthetase reveals differences between family members.

Porebski PJ, Klimecka M, Chruszcz M, Nicholls RA, Murzyn K, Cuff ME, Xu X, Cymborowski M, Murshudov GN, Savchenko A, Edwards A, Minor W.

FEBS J. 2012 Mar;279(6):1093-105. doi: 10.1111/j.1742-4658.2012.08506.x. Epub 2012 Feb 27.

38.

Structural flexibility of the macrophage dengue virus receptor CLEC5A: implications for ligand binding and signaling.

Watson AA, Lebedev AA, Hall BA, Fenton-May AE, Vagin AA, Dejnirattisai W, Felce J, Mongkolsapaya J, Palma AS, Liu Y, Feizi T, Screaton GR, Murshudov GN, O'Callaghan CA.

J Biol Chem. 2011 Jul 8;286(27):24208-18. doi: 10.1074/jbc.M111.226142. Epub 2011 May 12.

39.

REFMAC5 for the refinement of macromolecular crystal structures.

Murshudov GN, Skubák P, Lebedev AA, Pannu NS, Steiner RA, Nicholls RA, Winn MD, Long F, Vagin AA.

Acta Crystallogr D Biol Crystallogr. 2011 Apr;67(Pt 4):355-67. doi: 10.1107/S0907444911001314. Epub 2011 Mar 18.

40.

Evaluating the solution from MrBUMP and BALBES.

Keegan RM, Long F, Fazio VJ, Winn MD, Murshudov GN, Vagin AA.

Acta Crystallogr D Biol Crystallogr. 2011 Apr;67(Pt 4):313-23. doi: 10.1107/S0907444911007530. Epub 2011 Mar 18.

41.

Overview of the CCP4 suite and current developments.

Winn MD, Ballard CC, Cowtan KD, Dodson EJ, Emsley P, Evans PR, Keegan RM, Krissinel EB, Leslie AG, McCoy A, McNicholas SJ, Murshudov GN, Pannu NS, Potterton EA, Powell HR, Read RJ, Vagin A, Wilson KS.

Acta Crystallogr D Biol Crystallogr. 2011 Apr;67(Pt 4):235-42. doi: 10.1107/S0907444910045749. Epub 2011 Mar 18.

42.

A multivariate likelihood SIRAS function for phasing and model refinement.

Skubák P, Murshudov G, Pannu NS.

Acta Crystallogr D Biol Crystallogr. 2009 Oct;65(Pt 10):1051-61. doi: 10.1107/S0907444909028078. Epub 2009 Sep 16.

43.

"Conditional Restraints": Restraining the Free Atoms in ARP/wARP.

Mooij WT, Cohen SX, Joosten K, Murshudov GN, Perrakis A.

Structure. 2009 Feb 13;17(2):183-9. doi: 10.1016/j.str.2008.12.011.

44.

BALBES: a molecular-replacement pipeline.

Long F, Vagin AA, Young P, Murshudov GN.

Acta Crystallogr D Biol Crystallogr. 2008 Jan;64(Pt 1):125-32. Epub 2007 Dec 5.

45.

Surprises and pitfalls arising from (pseudo)symmetry.

Zwart PH, Grosse-Kunstleve RW, Lebedev AA, Murshudov GN, Adams PD.

Acta Crystallogr D Biol Crystallogr. 2008 Jan;64(Pt 1):99-107. Epub 2007 Dec 5.

46.

ARP/wARP and molecular replacement: the next generation.

Cohen SX, Ben Jelloul M, Long F, Vagin A, Knipscheer P, Lebbink J, Sixma TK, Lamzin VS, Murshudov GN, Perrakis A.

Acta Crystallogr D Biol Crystallogr. 2008 Jan;64(Pt 1):49-60. Epub 2007 Dec 5.

47.

Model preparation in MOLREP and examples of model improvement using X-ray data.

Lebedev AA, Vagin AA, Murshudov GN.

Acta Crystallogr D Biol Crystallogr. 2008 Jan;64(Pt 1):33-9. Epub 2007 Dec 5.

48.

The structures and electronic configuration of compound I intermediates of Helicobacter pylori and Penicillium vitale catalases determined by X-ray crystallography and QM/MM density functional theory calculations.

Alfonso-Prieto M, Borovik A, Carpena X, Murshudov G, Melik-Adamyan W, Fita I, Rovira C, Loewen PC.

J Am Chem Soc. 2007 Apr 11;129(14):4193-205. Epub 2007 Mar 15.

PMID:
17358056
49.

SPINE workshop on automated X-ray analysis: a progress report.

Bahar M, Ballard C, Cohen SX, Cowtan KD, Dodson EJ, Emsley P, Esnouf RM, Keegan R, Lamzin V, Langer G, Levdikov V, Long F, Meier C, Muller A, Murshudov GN, Perrakis A, Siebold C, Stein N, Turkenburg MG, Vagin AA, Winn M, Winter G, Wilson KS.

Acta Crystallogr D Biol Crystallogr. 2006 Oct;62(Pt 10):1170-83. Epub 2006 Sep 19. Review.

PMID:
17001094
50.

Intensity statistics in twinned crystals with examples from the PDB.

Lebedev AA, Vagin AA, Murshudov GN.

Acta Crystallogr D Biol Crystallogr. 2006 Jan;62(Pt 1):83-95. Epub 2005 Dec 14.

PMID:
16369097

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