Dorothee Liebschner Publications
2023
- Terwilliger TC, Afonine PV,Liebschner D, Croll TI, McCoy AJ, Oeffner RD , Williams CJ, Poon BK, Richardson JS, Read RJ, Adams PD:
Accelerating crystal structure determination with iterative AlphaFold prediction. Acta Cryst.
2021, D79:234-244. [PMID: 36876433] [PMCID: PMC9986801]
- Liebschner D, Moriarty NW, Poon BK, Adams PD:
In situ ligand restraints from quantum-mechanical methods. Acta Cryst.
2021, D79:100-110. [PMID: 36762856] [PMCID: PMC9912925]
2021
- Liebschner D, Afonine PV, Moriarty NW, Poon BK, Chen VB, Adams PD:
CERES: a cryo-EM re-refinement system for continuous improvement of deposited models. Acta Cryst.
2021, D77:48-61. [PMID: 33404525] [PMCID: PMC7787109]
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Single-Particle Cryo-EM of Biological Macromolecules; Glaeser, R. M., Nogales, E., Chiu, W., Eds.; (2021); Chapter 6.5: Adams, P.D., Liebschner, D., Terwilliger, T.C., Afonine, P. V. and Richardson, J.S., How algorithms from crystallography are helping electron cryo-microscopy.
2020
- Moriarty NW, Liebschner D, Tronrud DE, Adams PD:
Arginine off-kilter: guanidinium is not as planar as restraints denote. Acta Cryst.
2020,
D76:1159-1166. [PMID: 33263321] [PMCID: PMC7709202]
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Liebschner, D., Towards the automation of in situ experimental phasing. Acta Cryst. D, 76, 802-804 (2020).
- Liebschner D, Afonine PV, Moriarty NW, Adams PD:
What Are the Current Limits on Determination of Protonation State
Using Neutron Macromolecular Crystallography? Methods
Enzymol. 2020,
634:225-255 [PMID: 32093835] [PMCID: PMC7571246]
- Liebschner D, Afonine PV, Urzhumtsev AG, Adams PD:
Implementation of the Riding Hydrogen Model in CCTBX to Support the
Next Generation of X-ray and Neutron Joint Refinement in Phenix.
Methods Enzymol. 2020,
634:177-199 [PMID: 32093832] [PMCID: PMC7574815]
2019
- 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:
Announcing mandatory submission of PDBx/mmCIF format files for
crystallographic depositions to the Protein Data Bank (PDB). Acta Cryst.
2019,
D75:451-454. [PMID: 30988261] [PMCID: PMC6465986]
- Liebschner D, Afonine PV, Baker ML, Bunkóczi G, Chen VB, Croll TI,
Hintze B, Hung LW, Jain S, McCoy AJ, Moriarty NW, Oeffner RD, Poon BK,
Prisant MG, Read RJ, Richardson JS, Richardson DC, Sammito MD, Sobolev
OV, Stockwell DH, Terwilliger TC, Urzhumtsev AG, Videau LL, Williams
CJ, Adams PD:
Macromolecular structure determination using X-rays, neutrons and
electrons: recent developments in Phenix. Acta Cryst.
2019,
D75:861-877 [PMID: 31588918] [PMCID: PMC6778852]
2018
- Moriarty NW, Liebschner D, Klei HE, Echols N, Afonine PV, Headd J, Poon BK, Adams PD:
Interactive Comparison and Remediation of Collections of Macromolecular Structures. Protein Sci. 2018,
27:182-194 [PMID: 28901593] [PMCID: PMC5734393]
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Liebschner, D., Book review: Protein Crystallography - Methods and Protocols. Edited by A. Wlodawer, Z. Dauter and M. Jaskolski. Humana Press, 2017. Pp XIII + 672. Hardcover. Price GBP 100, USD 159. ISBN 9781493969982. Acta Cryst. F, 74, 74-75 (2018)
- Liebschner D, Afonine PV, Moriarty NW, Langan P, Adams PD:
Evaluation of models determined by neutron diffraction and proposed
improvements to their validation and deposition. Acta Cryst.
2018,
D74:800-813. [PMID: 30082516] [PMCID: PMC6079631]
2017
- Liebschner D, Afonine PV, Moriarty NW, Poon BK, Sobolev OV, Terwilliger TC, Adams PD:
Polder maps: improving OMIT maps by excluding bulk solvent. Acta Cryst. 2017,
D73:148-157 [PMID: 28177311] [PMCID: PMC5297918]
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Sato, M., Liebschner, D. et al. The First Crystal Structure of a Family 129 Glycoside Hydrolase from a Probiotic Bacterium Reveals Critical Residues and Metal Co-factors. J. Biol. Chem. jbc.M117.777391 (2017).
- Nagae, M., Liebschner, D. et al. Crystallographic analysis of murine p24γ2 Golgi dynamics domain. Proteins Struct. Funct. Bioinforma. 85, 764–770 (2017).
2016
- Young ID, Ibrahim M, Chatterjee R, Gul S, Fuller FD, Koroidov S,
Brewster AS, Tran R, Alonso-Mori R, Kroll T, Michels-Clark T, Laksmono
H, Sierra RG, Stan CA, Hussein R, Zhang M, Douthit L, Kubin M, de
Lichtenberg C, Vo Pham L, Nilsson H, Cheah MH, Shevela D, Saracini C,
Bean MA, Seuffert I, Sokaras D, Weng TC, Pastor E, Weninger C,
Fransson T, Lassalle L, Bräuer P, Aller P, Docker PT, Andi B, Orville
AM, Glownia JM, Nelson S, Sikorski M, Zhu D, Hunter MS, Lane TJ,
Aquila A, Koglin JE, Robinson J, Liang M, Boutet S, Lyubimov AY,
Uervirojnangkoorn M, Moriarty NW, Liebschner D, Afonine PV, Waterman
DG, Evans G, Wernet P, Dobbek H, Weis WI, Brunger AT, Zwart PH, Adams
PD, Zouni A, Messinger J, Bergmann U, Sauter NK, Kern J, Yachandra VK,
Yano J:
Structure of photosystem II and substrate binding at room temperature. Nature
2016, 540:453-457 [PMID: 27871088] [PMCID: PMC5201176]
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Liebschner, D., Yamada, Y., Matsugaki, N., Senda, M. & Senda, T. On the influence of crystal size and wavelength on native SAD phasing. Acta Cryst D. 72, 728–741 (2016).
2015
- Liebschner, D.; Rosenbaum, G.; Dauter, M. and Dauter, Z.: Radiation decay of thaumatin crystals at three X-ray energies. Acta Cryst. 2015,D71:772-8. [PMID: 25849388] [PMCID: PMC4388262]
2013
- Elias, M; Liebschner, D.; Koepke, J.; Lecomte, C.; Guillot, B.; Jelsch, C.; Chabrière, E.: Hydrogen atoms in protein structures: High-resolution X-ray diffraction structure of DFPase.
BMC Res Notes 2013,6:308. [PMCID: PMC3737025]
- Liebschner, D.; Dauter, M.; Brzuszkiewicz, A. and Dauter, Z.: On the reproducibility of protein crystal structures: five atomic resolution structures of trypsin.
Acta Cryst. 2013,D69::1447-1462. [PMID: 23897468][PMCID: PMC3727327]
2012
- Liebschner, D.; Brzezinski, K.; Dauter, M.; Dauter, Z.; Nowak, M.;
Kur, J. and Olszewski, M.:
Dimeric structure of the N-terminal domain of PriB protein from
Thermoanaerobacter tengcongensis solved ab initio. Acta Cryst.
2012,D68::1680-1689. [PMID: 23151633][PMCID: PMC3498933]
- Liebschner, D.; Dauter, M.; Rosenbaum, G. and Dauter, Z.:
How good can our beamlines be? Acta Cryst.
2012,D68:1430-1436. [PMID: 22993097][PMCID: PMC3447404]
- Domagala, S.; Fournier, B.; Liebschner, D.; Guillot, B.
and Jelsch, C.:
An improved experimental databank of transferable multipolar atom models
--ELMAM2. Construction details and applications
Acta Cryst.
2012,A68:337-351. [PMID: 22514066]
- Jelsch, C.; Domagala, S.; Guillot, B.; Liebschner, D.; Fournier, B.;
Pichon-Pesme, V. and Lecomte, C.: Frontier Applications of Experimental
Charge Density and Electrostatics to Bio-macromolecules.
In Modern Charge-Density Analysis. Gatti, C. and Macchi, P., Eds.,
Springer, Dordrecht, The Netherlands. 2012,
527-552.
2011
- Elias, M.; Liebschner, D.; Gotthard, G. and Chabrière, E.:
Structural insights and ab initio sequencing within the DING
proteins family.
J. Synchr. Rad.
2011, 18:45-49 [PMID: 21169690] [PMCID: PMC3004253]
- Liebschner, D.; Jelsch, C.; Espinosa, E.; Lecomte, C.; Chabrière,
E. and Guillot, B:
Analysis of Hydrogen Bonds and Weak Interactions in Protein Helices via
Transferred Experimental Charge Density Parameters., invited paper in special
issue in honor of R. Bader,
J. Phys. Chem. A
2011, 115:12895-12904 [PMID: 21805997]
2010
- Liebschner, D.; Elias, M.; Moniot, S.; Fournier, B.; Scott, K.;
Jelsch, C.; Guillot, B.; Lecomte, C. and Chabrière, E.:
Elucidation of the Phosphate Binding Mode of DING Proteins Revealed by
Subangstrom X-ray Crystallography.
JACS 2009, 131:7879-7886. [PMID: 19445459]
2006
- 14) Krüger, J. K.; Müller, U.; Bactavatchalou, R.; Liebschner, D.;
Sander, M.; Possart, W.; Wehlack, C.; Baller, J. and Rouxel, D.:
Mechanical Interphases in Epoxies as seen by Nondestructive High-Performance Brillouin Microscopy.
In Adhesion: Current Research and Applications. Possart, W. Ed.,
Wiley-VCH Verlag GmbH Co. KGaA, Weinheim, FRG. 2006
