A structure-factor least-squares refinement procedure for macromolecular structures using constrained and restrained parameters

No abstract is available for this paper.

• Publication year

  1977

• Venue

  Acta Crystallographica Section A

• Publication date

  1977-09-01

• Fields of study

  Chemistry

• Identifiers
  DOI 10.1107/S0567739477001958
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar

• No claims are published for this paper.

• No concepts are published for this paper.

• International tables for X-ray crystallography

  1962cited by this paper
• International Tables for X-Ray Crystallography

  1953cited by this paper

• Iris: Interactive all‐in‐one graphical validation of 3D protein model iterations

  2020cites this paper
• Introduction to crystallographic refinement of macromolecular atomic models

  2019cites this paper
• Progress in protein crystallography.

  2016cites this paper
• Molecular structure of the GA base pair in DNA and its implications for the mechanism of transversion mutations (x-ray diffraction/mutagenesis/deoxyolignonucleotides/base stacking/tautomer hypothesis)

  2016cites this paper
• Glyceraldehyde-3-phosphate dehydrogenase and fructose-1, 6-bisphosphatase of the enteric pathogens C. jejuni and H. pylori

  2016cites this paper
• Possibility of nonkinked packing o

  2016cites this paper
• MACROMOLECULAR CRYSTALLOGRAPHIC STRUCTURE REFINEMENT

  2015influential citation
• REFINAMIENTO DE ESTRUCTURAS MACROMOLECULARES CRISTALOGRÁFICAS MACROMOLECULAR CRYSTALLOGRAPHIC STRUCTURE REFINEMENT

  2015cites this paper
• Macromolecular crystallographic estructure refinement

  2015cites this paper
• Free kick instead of cross-validation in maximum-likelihood refinement of macromolecular crystal structures

  2014cites this paper
• A brief history of macromolecular crystallography, illustrated by a family tree and its Nobel fruits

  2014cites this paper
• TLS from fundamentals to practice

  2013cites this paper
• Untersuchung der ultraschnellen Polarisationsdynamik in Lithiumborhydrid mittels Femtosekunden Röntgenbeugung

  2013cites this paper
• Use of knowledge-based restraints in phenix.refine to improve macromolecular refinement at low resolution

  2012cites this paper
• 1.7 Refinement of X-ray Crystal Structures

  2012cites this paper
• Principles of protein nucleic acid : recognition on the examples of the ribosomal protein L1 and the cold shock domain of YB-1 protein

  2012cites this paper
• Data Fusion for the Problem of Protein Sidechain Assignment

  2010cites this paper
• Super-resolution biomolecular crystallography with low-resolution data

  2010cites this paper
• Automatic multiple-zone rigid-body refinement with a large convergence radius

  2009cites this paper
• Crystal structure of a PPRl-DNA complex: DNA recognition by proteins containing a ZujCys^ binuclear cluster

  2007cites this paper
• Macromolecular Crystallography Protocols

  2006cites this paper
• Crystallographic viewpoints in the classification of space‐group representations

  2006cites this paper
• Isomorphous replacement and anomalous scattering

  2006cites this paper
• X‐Ray Structures of Nucleic Acids

  2006cites this paper
• A bound constrained conjugate gradient solution method as applied to crystallographic refinement problems

  2005cites this paper
• The synaptic acetylcholinesterase tetramer assembles around a polyproline II helix

  2004influential citation
• Protein crystallography at subatomic resolution

  2004cites this paper
• Protein crystallography at subatomic resolution

  2004cites this paper
• Protein structure: experimental and theoretical aspects

  2002cites this paper
• Molecular dynamics applied to X-ray structure refinement.

  2002cites this paper
• dimer-dimer interaction superoxide dismutase from Thermus thermophilus : Differences in human manganese superoxide dismutase and manganese Comparison of the crystal structures of genetically engineered data

  2002cites this paper
• Macromolecular Structure Calculation and Refinement by Simulated Annealing: Methods and Applications

  2002cites this paper
• The Three-Dimensional Structure of Canavalin

  2002cites this paper
• Fast differentiation algorithm and efficient calculation of the exact matrix of second derivatives.

  2001cites this paper
• Annealing in crystallography: a powerful optimization tool.

  1999cites this paper
• Structure of orthorhombic crystals of beef liver catalase.

  1999cites this paper
• Current Methods and Optimization Algorithms for the Refinement of X-Ray Crystal Structures

  1999cites this paper
• Automated protein model building combined with iterative structure refinement

  1999cites this paper
• Protein sidechain conformer prediction: a test of the energy function.

  1998cites this paper
• New Applications of Simulated Annealing in Crystallographic Refinement

  1998cites this paper
• Noncrystallographic symmetry averaging in phase refinement and extension.

  1997cites this paper
• TNT refinement package.

  1997cites this paper
• Crystallographic refinement by simulated annealing: methods and applications.

  1997cites this paper
• New applications of simulated annealing in X-ray crystallography and solution NMR.

  1997cites this paper
• Crystallographic study of eglin-C binding to thermitase.

  1996cites this paper
• Recent Developments for Crystallographic Refinement of Macromolecules

  1996cites this paper
• Röntgenstrahlen in der Biochemie

  1995cites this paper
• Chapter 12 Simulated annealing applied to crystallographic structure refinement

  1995cites this paper
• Where freedom is given, liberties are taken.

  1995cites this paper
• Gro-ing pains

  1995cites this paper
• Proteins at atomic resolution.

  1995cites this paper
• Crystal structure of transcription factor E47: E-box recognition by a basic region helix-loop-helix dimer.

  1994cites this paper
• Crystal structure of unliganded Escherichia coli dihydrofolate reductase. Ligand-induced conformational changes and cooperativity in binding.

  1994cites this paper
• Role of histidine-40 in ribonuclease T1 catalysis: three-dimensionalstructures of the partially active His40Lys mutant.

  1994cites this paper
• A simplified multidimensional search used for crystal structure solution of pCpGpCpGpCpG with two duplexes pre asymmetric unit.

  1994cites this paper
• Structural evidence for induced fit as a mechanism for antibody-antigen recognition.

  1994cites this paper
• Crystal structure of hexameric haemocyanin from Panulirus interruptus refined at 3.2 A resolution.

  1994cites this paper
• Crystallographic study of Glu58Ala RNase T1 x 2'-guanosine monophosphate at 1.9-A resolution.

  1994cites this paper
• X-ray crystallographic study of pyridoxal 5'-phosphate-type aspartate aminotransferases from Escherichia coli in open and closed form.

  1994cites this paper
• Crystal structure of a PPR1-DNA complex: DNA recognition by proteins containing a Zn2Cys6 binuclear cluster.

  1994cites this paper
• Crystal structure of the closed form of chicken cytosolic aspartate aminotransferase at 1.9 A resolution.

  1994cites this paper
• Crystal structure of apo‐glycolate oxidase

  1993cites this paper
• Kinetic alteration of human aldose reductase by mutagenesis of cysteine residues.

  1993cites this paper
• Crystal structure of apo-neocarzinostatin at 0.15-nm resolution.

  1993cites this paper
• Comparison of the crystal structures of genetically engineered human manganese superoxide dismutase and manganese superoxide dismutase from thermus thermophilus: Differences in dimer–dimer interaction

  1993cites this paper
• Water Structure of Crystallized Proteins: High-Resolution Studies

  1993cites this paper
• The complex between phage 434 repressor DNA-binding domain and operator site OR3: structural differences between consensus and non-consensus half-sites.

  1993cites this paper
• The Three-Dimensional Structure of Canavalin from Jack Bean (Canavalia ensiformis)

  1993cites this paper
• Crystallographic analysis of the interaction between cyclosporin A and the Fab fragment of a monoclonal antibody

  1993cites this paper
• Crystal structure of a fluorescent derivative of RNase A

  1993cites this paper
• Refined structure of bovine carbonic anhydrase III at 2.0 Å resolution

  1993cites this paper
• The structure of a thermally stable 3‐phosphoglycerate kinase and a comparison with its mesophilic equivalent

  1993cites this paper
• Computational challenges for macromolecular structure determination by X-ray crystallography and solution NMRspectroscopy

  1993cites this paper
• Three-dimensional structure of a recombinant variant of human pancreatic secretory trypsin inhibitor (Kazal type).

  1992cites this paper
• Crystal structure of the binary complex of pig muscle phosphoglycerate kinase and its substrate 3‐phospho‐D‐glycerate

  1992cites this paper
• The crystal structure of the aldose reductase.NADPH binary complex.

  1992cites this paper
• Structure of oxidized bacteriophage T4 glutaredoxin (thioredoxin). Refinement of native and mutant proteins.

  1992cites this paper
• Structure of the complex between adenylate kinase from Escherichia coli and the inhibitor Ap5A refined at 1.9 A resolution. A model for a catalytic transition state.

  1992cites this paper
• Crystal structures of an antibody to a peptide and its complex with peptide antigen at 2.8 A.

  1992cites this paper
• Crystal structure of NAD-dependent formate dehydrogenase.

  1992cites this paper
• Molecular replacement

  1992cites this paper
• X‐ray crystal structure of the serine proteinase inhibitor eglin c at 1.95 Å resolution

  1992cites this paper
• Crystal and molecular structure of a DNA fragment containing a 2-aminoadenine modification: the relationship between conformation, packing, and hydration in Z-DNA hexamers.

  1992cites this paper
• Effects of eglin‐c binding to thermitase: Three‐dimensional structure comparison of native thermitase and thermitase eglin‐c complexes

  1992cites this paper
• Three-dimensional structures of bulge-containing DNA fragments.

  1992cites this paper
• DNA recognition by GAL4: structure of a protein-DNA complex

  1992cites this paper
• β‐lactamase TEM1 of E. coli Crystal structure determination at 2.5 Å resolution

  1992cites this paper
• Crystallographic studies of DNA containing mismatches, modified and unpaired bases.

  1992cites this paper
• Crystal structure of carboxypeptidase T from Thermoactinomyces vulgaris.

  1992cites this paper
• Crystal structure of cleaved equine leucocyte elastase inhibitor determined at 1.95 A resolution.

  1992cites this paper
• A conformation of cyclosporin A in aqueous environment revealed by the X-ray structure of a cyclosporin-Fab complex.

  1992cites this paper
• Low-resolution real-space envelopes: an approach to the ab initio macromolecular phase problem.

  1991cites this paper
• Base-pairing shift in the major groove of (CA)n tracts by B-DNA crystal structures

  1991cites this paper
• Comparison of structures of dry and wet hen egg‐white lysozyme molecule at 1.8 Å resolution

  1991cites this paper
• Crystal structure of a barnase-d(GpC) complex at 1.9 A resolution.

  1991cites this paper
• Crystal structure of a Y35G mutant of bovine pancreatic trypsin inhibitor.

  1991cites this paper
• Crystallographic phasing and refinement of macromolecules: Current Opinion in Structural Biology 1991, 1:1016–1022

  1991cites this paper
• Crystal structure of uncleaved ovalbumin at 1.95 A resolution.

  1991cites this paper
• Structure of the B-DNA decamer C-C-A-A-C-G-T-T-G-G and comparison with isomorphous decamers C-C-A-A-G-A-T-T-G-G and C-C-A-G-G-C-C-T-G-G.

  1991cites this paper
• Three-dimensional structure of the complexes between bovine chymotrypsinogen A and two recombinant variants of human pancreatic secretory trypsin inhibitor (Kazal-type).

  1991cites this paper