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Molrep specifications


Unique identifier OMICS_30619
Name Molrep
Software type Application/Script
Interface Command line interface
Restrictions to use None
Operating system Unix/Linux, Mac OS
Computer skills Advanced
Version 11.0
Stability Stable
Maintained Yes


No version available

Additional information

Molrep citations


Identification of a pyrophosphate dependent kinase and its donor selectivity determinants

Nat Commun
PMCID: 5931981
PMID: 29720581
DOI: 10.1038/s41467-018-04201-z
call_split See protocol

[…] ere integrated and scaled with the program HKL2000. The phases were determined by the molecular replacement method with the atomic coordinates of the unliganded TM0415 (PDB ID 1VK4) using the program Molrep. The structures were constructed using the program COOT and refined using the program REFMAC5, with the Translation Libration Screw refinement technique. The statistics for data collections and […]


Oligomeric interfaces as a tool in drug discovery: Specific interference with activity of malate dehydrogenase of Plasmodium falciparum in vitro

PLoS One
PMCID: 5919072
PMID: 29694407
DOI: 10.1371/journal.pone.0195011
call_split See protocol

[…] [] was used as a search model [], yielding a clear solution for 16 molecules in the asymmetric unit. The data from BM14 beamline (ESRF, Grenoble) was subsequently used for molecular replacement using MOLREP [] and confirmed the previously identified solution supporting the presence of four tetrameric PfMDH assemblies in the asymmetric unit. Rebuilding and refinement were carried out using Coot [] […]


Structural and kinetic basis for the selectivity of aducanumab for aggregated forms of amyloid β

Sci Rep
PMCID: 5913127
PMID: 29686315
DOI: 10.1038/s41598-018-24501-0

[…] l [Protein Data Bank ID: 4LF3]. The structure of the AduFab/Aβ1-11 complex was determined to 2.38 Å resolution by molecular replacement using the apo AduFab structure as the search model. The program MolRep was used for both molecular replacement steps. Well-defined electron density was observed for residues Ala2 to Asp7 of Aβ1-11, which were manually built with Coot. No electron density was obser […]


Structural basis of epilepsy related ligand–receptor complex LGI1–ADAM22

Nat Commun
PMCID: 5906670
PMID: 29670100
DOI: 10.1038/s41467-018-03947-w
call_split See protocol

[…] am Balbes, which selected the Slit2 D4 LRR structure (PDB 2WFH) as the optimal reference model. The structure of the LGI1 EPTP–ADAM22 complex was determined by molecular replacement using the program Molrep. The apo ADAM22 ECD structure (PDB 3G5C) was used as the search model. The atomic model of the entire LGI1 EPTP domain could be obtained after iterative cycles of model building and structure r […]


Lipid binding promotes the open conformation and tumor suppressive activity of neurofibromin 2

Nat Commun
PMCID: 5889391
PMID: 29626191
DOI: 10.1038/s41467-018-03648-4

[…] Phases were obtained by molecular replacement using the program MOLREP by using the neurofibromin 2 FERM domain structure (PDB) as the search model. Molecular replacement solutions were only obtained when we truncated the model to residues 20–309. Two molecules in […]


X ray and UV radiation damage induced phasing using synchrotron serial crystallography

Acta Crystallogr D Struct Biol
PMCID: 5892880
PMID: 29652263
DOI: 10.1107/S2059798318001535
call_split See protocol

[…] ity map peak heights. For both this calculation and the evaluation of phase errors, a refined atomic model was used. The refinement procedure was as follows. Molecular replacement was performed using MOLREP (Vagin & Teplyakov, 2010) with PDB entry 5fgt for thaumatin and PDB entry 9ins for insulin. The models were rebuilt manually in Coot and then refined using BUSTER (Emsley et al., 2010; Bricogne […]


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