Re-evaluation of low-resolution crystal structuresviainteractive molecular-dynamics flexible fitting (iMDFF): a case study in complement C4

Solution Structures of Complement C2 and Its C4 Complexes Propose Pathway-specific Mechanisms for Control and Activation of the Complement Proconvertases

(2016) Sofia Mortensen et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Higher-Resolution Structure of the Human Insulin Receptor Ectodomain: Multi-Modal Inclusion of the Insert Domain

(2016) Tristan I. Croll et al.   STRUCTURE

Dead-End Elimination with a Polarizable Force Field Repacks PCNA Structures

(2015) Stephen D. LuCore et al.   BIOPHYSICAL JOURNAL

Complement activation, regulation, and molecular basis for complement-related diseases

(2015) G. Bajic et al.   EMBO JOURNAL

Structural Basis for the Function of Complement Component C4 within the Classical and Lectin Pathways of Complement

(2015) Sofia Mortensen et al.   JOURNAL OF IMMUNOLOGY

PDBe: improved accessibility of macromolecular structure data from PDB and EMDB

(2015) Sameer Velankar et al.   NUCLEIC ACIDS RESEARCH

xMDFF: molecular dynamics flexible fitting of low-resolution X-ray structures

(2014) Ryan McGreevy et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

ThePDB_REDOserver for macromolecular structure model optimization

(2014) Robbie P. Joosten et al.   IUCrJ

Better models by discarding data?

(2013) K. Diederichs et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

MAINsoftware for density averaging, model building, structure refinement and validation

(2013) Dušan Turk   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

CHARMM36 all-atom additive protein force field: Validation based on comparison to NMR data

(2013) Jing Huang et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Toward a structure-based comprehension of the lectin pathway of complement

(2013) Troels R. Kjaer et al.   MOLECULAR IMMUNOLOGY

Improved low-resolution crystallographic refinement with Phenix and Rosetta

(2013) Frank DiMaio et al.   NATURE METHODS

Use of knowledge-based restraints inphenix.refineto improve macromolecular refinement at low resolution

(2012) Jeffrey J. Headd et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

ToBor not toB: a question of resolution?

(2012) Ethan A. Merritt   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

PDB_REDO: constructive validation, more than just looking for errors

(2012) Robbie P. Joosten et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Towards automated crystallographic structure refinement withphenix.refine

(2012) Pavel V. Afonine et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Force Field for Monovalent, Divalent, and Trivalent Cations Developed under the Solvent Boundary Potential

(2012) Youngdo Won   JOURNAL OF PHYSICAL CHEMISTRY A

LC–MS/MS Characterization of O-Glycosylation Sites and Glycan Structures of Human Cerebrospinal Fluid Glycoproteins

(2012) Adnan Halim et al.   JOURNAL OF PROTEOME RESEARCH

Structural basis for activation of the complement system by component C4 cleavage

(2012) R. T. Kidmose et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Linking Crystallographic Model and Data Quality

(2012) P. A. Karplus et al.   SCIENCE

Structural basis for complement factor I control and its disease-associated sequence polymorphisms

(2011) P. Roversi et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

PHENIX: a comprehensive Python-based system for macromolecular structure solution

(2010) Paul D. Adams et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

New insights into the molecular mechanisms of classical complement activation

(2010) Mihaela Kojouharova et al.   MOLECULAR IMMUNOLOGY

MolProbity: all-atom structure validation for macromolecular crystallography

(2009) Vincent B. Chen et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Structure of complement fragment C3b–factor H and implications for host protection by complement regulators

(2009) Jin Wu et al.   NATURE IMMUNOLOGY