List of works - Saulius Gražulis

4-Substituted-2,3,5,6-tetrafluorobenzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, XII, and XIII

scientific article

4-[N-(substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII

scientific article

4-amino-substituted benzenesulfonamides as inhibitors of human carbonic anhydrases

scientific article

A posteriori metadata from automated provenance tracking: integration of AiiDA and TCOD.

scientific article

A workflow for deriving chemical entities from crystallographic data and its application to the Crystallography Open Database

scientific article published on 19 December 2023

Association between vascular calcification assessed by simple radiography and non-fatal cardiovascular events in hemodialysis patients

scientific article

Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII

scientific article

COD::CIF::Parser: an error-correcting CIF parser for the Perl language

scientific article

Computing stoichiometric molecular composition from crystal structures

scientific article

Corrigendum to “Crystal Structure of Wild-type Chaperonin GroEL” [J. Mol. Biol. (2005) 354, 940–951]

scholarly article published in Journal of Molecular Biology

Crystal structure of MunI restriction endonuclease in complex with cognate DNA at 1.7 A resolution

scientific article

Crystal structure of the Bse634I restriction endonuclease: comparison of two enzymes recognizing the same DNA sequence

scientific article

Crystal structure of the R-protein of the multisubunit ATP-dependent restriction endonuclease NgoAVII.

scientific article published on 27 November 2014

Crystal structure of wild-type chaperonin GroEL.

scientific article

Crystallization and preliminary crystallographic studies of a bifunctional restriction endonuclease Eco57I.

scientific article

Crystallographic education in the 21st century

scientific article

Crystallography Open Database (COD): an open-access collection of crystal structures and platform for world-wide collaboration

scientific article

Crystallography Open Database – an open-access collection of crystal structures

scientific article from 2009

Crystallography Open Database – data curation experiences

scientific article published on 3 December 2019

Crystallography and Databases

scholarly article by Ian J. Bruno et al published 7 August 2017 in Data Science Journal

DNA Binding Specificity ofMunI Restriction Endonuclease Is Controlled by pH and Calcium Ions: Involvement of Active Site Carboxylate Residues†

scientific article published on 01 September 1997

Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases

scientific article

Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX

scientific article

Functional significance of protein assemblies predicted by the crystal structure of the restriction endonuclease BsaWI.

scientific article published on 3 August 2015

Functionalization of fluorinated benzenesulfonamides and their inhibitory properties toward carbonic anhydrases

scientific article

Indapamide-like benzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, and XIII

scientific article

Inhibition and binding studies of carbonic anhydrase isozymes I, II and IX with benzimidazo[1,2-c][1,2,3]thiadiazole-7-sulphonamides

scientific article

Intrinsic Thermodynamics and Structure Correlation of Benzenesulfonamides with a Pyrimidine Moiety Binding to Carbonic Anhydrases I, II, VII, XII, and XIII

scientific article

Intrinsic thermodynamics of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide binding to carbonic anhydrases by isothermal titration calorimetry

scientific article

MPOD: A Material Property Open Database linked to structural information

Nucleotide flips determine the specificity of the Ecl18kI restriction endonuclease.

scientific article published on 20 April 2006

OPTIMADE, an API for exchanging materials data

scientific article published on 12 August 2021

Prevalence and quality of control of calcium and phosphorus metabolism disorders among Lithuanian hemodialysis patients in 2004 and 2005

scientific article published in January 2007

Raman Open Database: first interconnected Raman-X-ray diffraction open-access resource for material identification.

scientific article published on 28 May 2019

Restriction endonuclease AgeI is a monomer which dimerizes to cleave DNA

scientific article published on 29 December 2016

Software for maintaining and expanding the Crystallography Open Database

scholarly article by Saulius Gražulis et al published 29 August 2010 in Acta Crystallographica Section A: Foundations and Advances

Specification of the Crystallographic Information File format, version 2.0

Structural insight into the specificity of the B3 DNA-binding domains provided by the co-crystal structure of the C-terminal fragment of BfiI restriction enzyme

scientific article

Structural mechanisms for the 5'-CCWGG sequence recognition by the N- and C-terminal domains of EcoRII

scientific article

Structural mechanisms of the degenerate sequence recognition by Bse634I restriction endonuclease

scientific article

Structure of the metal-independent restriction enzyme BfiI reveals fusion of a specific DNA-binding domain with a nonspecific nuclease

scientific article

Structure-Thermodynamics Correlations of Fluorinated Benzensulfonamides as Inhibitors of Human Carbonic Anhydrases

Structure-based redesign of the Catalytic/Metal binding site of Cfr 10I restriction endonuclease reveals importance of spatial rather than sequence conservation of active centre residues ⬇️

scientific article published on June 5, 1998

The Cfr10I restriction enzyme is functional as a tetramer

scientific article published on 01 September 1999

The crystal structure of the rare-cutting restriction enzyme SdaI reveals unexpected domain architecture.

scientific article published on September 2006

The recognition domain of the BpuJI restriction endonuclease in complex with cognate DNA at 1.3-A resolution

scientific article

The recognition domain of the methyl-specific endonuclease McrBC flips out 5-methylcytosine

scientific article

The representation of coupling interactions in the Material Properties Open Database (MPOD)

journal article; published in Advances in Applied Ceramics in 2017

Time-resolved fluorescence of 2-aminopurine as a probe of base flipping in M.HhaI-DNA complexes

scientific article

Unique mechanism of target recognition by PfoI restriction endonuclease of the CCGG-family

scientific article published on 01 January 2019

Using SMILES strings for the description of chemical connectivity in the Crystallography Open Database.

scientific article

Validation of the Crystallography Open Database using the Crystallographic Information Framework

scientific article published on 14 February 2021

[Factors influencing survival of hemodialysis patients: data from hemodialysis center of Kaunas University of Medicine Hospital 1994-2004].

scientific article

[Renal failure due to a villous adenoma]

scientific article published on 01 January 2003

[The prevalence of Fabry's disease among male patients on hemodialysis in Lithuania (a screening study)]

scientific article published on 01 January 2007

List of works by Saulius Gražulis

4-Substituted-2,3,5,6-tetrafluorobenzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, XII, and XIII

4-[N-(substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII

4-amino-substituted benzenesulfonamides as inhibitors of human carbonic anhydrases

A posteriori metadata from automated provenance tracking: integration of AiiDA and TCOD.

A workflow for deriving chemical entities from crystallographic data and its application to the Crystallography Open Database

Association between vascular calcification assessed by simple radiography and non-fatal cardiovascular events in hemodialysis patients

Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII

COD::CIF::Parser: an error-correcting CIF parser for the Perl language

Computing stoichiometric molecular composition from crystal structures

Corrigendum to “Crystal Structure of Wild-type Chaperonin GroEL” [J. Mol. Biol. (2005) 354, 940–951]

Crystal structure of MunI restriction endonuclease in complex with cognate DNA at 1.7 A resolution

Crystal structure of the Bse634I restriction endonuclease: comparison of two enzymes recognizing the same DNA sequence

Crystal structure of the R-protein of the multisubunit ATP-dependent restriction endonuclease NgoAVII.

Crystal structure of wild-type chaperonin GroEL.

Crystallization and preliminary crystallographic studies of a bifunctional restriction endonuclease Eco57I.

Crystallographic education in the 21st century

Crystallography Open Database (COD): an open-access collection of crystal structures and platform for world-wide collaboration

Crystallography Open Database – an open-access collection of crystal structures

Crystallography Open Database – data curation experiences

Crystallography and Databases

DNA Binding Specificity ofMunI Restriction Endonuclease Is Controlled by pH and Calcium Ions: Involvement of Active Site Carboxylate Residues†

Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases

Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX

Functional significance of protein assemblies predicted by the crystal structure of the restriction endonuclease BsaWI.

Functionalization of fluorinated benzenesulfonamides and their inhibitory properties toward carbonic anhydrases

Indapamide-like benzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, and XIII

Inhibition and binding studies of carbonic anhydrase isozymes I, II and IX with benzimidazo[1,2-c][1,2,3]thiadiazole-7-sulphonamides

Intrinsic Thermodynamics and Structure Correlation of Benzenesulfonamides with a Pyrimidine Moiety Binding to Carbonic Anhydrases I, II, VII, XII, and XIII

Intrinsic thermodynamics of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide binding to carbonic anhydrases by isothermal titration calorimetry

MPOD: A Material Property Open Database linked to structural information

Nucleotide flips determine the specificity of the Ecl18kI restriction endonuclease.

OPTIMADE, an API for exchanging materials data

Prevalence and quality of control of calcium and phosphorus metabolism disorders among Lithuanian hemodialysis patients in 2004 and 2005

Raman Open Database: first interconnected Raman-X-ray diffraction open-access resource for material identification.

Restriction endonuclease AgeI is a monomer which dimerizes to cleave DNA

Software for maintaining and expanding the Crystallography Open Database

Specification of the Crystallographic Information File format, version 2.0

Structural insight into the specificity of the B3 DNA-binding domains provided by the co-crystal structure of the C-terminal fragment of BfiI restriction enzyme

Structural mechanisms for the 5'-CCWGG sequence recognition by the N- and C-terminal domains of EcoRII

Structural mechanisms of the degenerate sequence recognition by Bse634I restriction endonuclease

Structure of the metal-independent restriction enzyme BfiI reveals fusion of a specific DNA-binding domain with a nonspecific nuclease

Structure-Thermodynamics Correlations of Fluorinated Benzensulfonamides as Inhibitors of Human Carbonic Anhydrases

Structure-based redesign of the Catalytic/Metal binding site of Cfr 10I restriction endonuclease reveals importance of spatial rather than sequence conservation of active centre residues ⬇️

The Cfr10I restriction enzyme is functional as a tetramer

The crystal structure of the rare-cutting restriction enzyme SdaI reveals unexpected domain architecture.

The recognition domain of the BpuJI restriction endonuclease in complex with cognate DNA at 1.3-A resolution

The recognition domain of the methyl-specific endonuclease McrBC flips out 5-methylcytosine

The representation of coupling interactions in the Material Properties Open Database (MPOD)

Time-resolved fluorescence of 2-aminopurine as a probe of base flipping in M.HhaI-DNA complexes

Unique mechanism of target recognition by PfoI restriction endonuclease of the CCGG-family

Using SMILES strings for the description of chemical connectivity in the Crystallography Open Database.

Validation of the Crystallography Open Database using the Crystallographic Information Framework

[Factors influencing survival of hemodialysis patients: data from hemodialysis center of Kaunas University of Medicine Hospital 1994-2004].

[Renal failure due to a villous adenoma]

[The prevalence of Fabry's disease among male patients on hemodialysis in Lithuania (a screening study)]