Gerard Kleywegt
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X-ray crystallographer
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Why Is Gerard Kleywegt Influential?
(Suggest an Edit or Addition)According to Wikipedia, Gerard Jacob Kleywegt is a Dutch X-ray crystallographer and the former team leader of the Protein Data Bank in Europe at the EBI; a member of the Worldwide Protein Data Bank. Education Kleywegt obtained his PhD from the University of Utrecht in 1991.
Gerard Kleywegt's Published Works
Number of citations in a given year to any of this author's works
Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- Highly accurate protein structure prediction for the human proteome (2021) (1032)
- Detection, delineation, measurement and display of cavities in macromolecular structures. (1994) (930)
- AlphaFold Protein Structure Database: massively expanding the structural coverage of protein-sequence space with high-accuracy models (2021) (831)
- Phi/psi-chology: Ramachandran revisited. (1996) (516)
- Use of non-crystallographic symmetry in protein structure refinement. (1996) (509)
- Crystallographic and molecular-modeling studies of lipase B from Candida antarctica reveal a stereospecificity pocket for secondary alcohols. (1995) (455)
- Databases in protein crystallography. (1998) (443)
- Outcome of the First Electron Microscopy Validation Task Force Meeting (2012) (422)
- Protein Data Bank (PDB): The Single Global Macromolecular Structure Archive. (2017) (421)
- A New Generation of Crystallographic Validation Tools for the Protein Data Bank (2011) (390)
- Structure determination and refinement of human alpha class glutathione transferase A1-1, and a comparison with the Mu and Pi class enzymes. (1993) (355)
- The Uppsala Electron-Density Server. (2004) (354)
- Protein Data Bank: the single global archive for 3D macromolecular structure data (2018) (347)
- Application and limitations of X-ray crystallographic data in structure-based ligand and drug design. (2003) (345)
- Checking your imagination: applications of the free R value. (1996) (343)
- Detecting folding motifs and similarities in protein structures. (1997) (334)
- Recognition of spatial motifs in protein structures. (1999) (329)
- Crystal structure of the C2 fragment of streptococcal protein G in complex with the Fc domain of human IgG. (1995) (304)
- Model building and refinement practice. (1997) (302)
- PSICQUIC and PSISCORE: accessing and scoring molecular interactions (2011) (284)
- xdlMAPMAN and xdlDATAMAN - programs for reformatting, analysis and manipulation of biomacromolecular electron-density maps and reflection data sets. (1996) (280)
- OME Remote Objects (OMERO): a flexible, model-driven data management system for experimental biology (2012) (269)
- EMDataBank.org: unified data resource for CryoEM (2010) (265)
- The crystal structure of the catalytic core domain of endoglucanase I from Trichoderma reesei at 3.6 A resolution, and a comparison with related enzymes. (1997) (261)
- SIFTS: Structure Integration with Function, Taxonomy and Sequences resource (2012) (256)
- EMPIAR: a public archive for raw electron microscopy image data (2016) (252)
- Halloween ... Masks and Bones (1994) (227)
- Crystal structure of an acetylcholinesterase-fasciculin complex: interaction of a three-fingered toxin from snake venom with its target. (1995) (223)
- Where freedom is given, liberties are taken. (1995) (211)
- PDBe: Protein Data Bank in Europe (2009) (202)
- Crystal structures of cellular retinoic acid binding proteins I and II in complex with all-trans-retinoic acid and a synthetic retinoid. (1995) (171)
- Outcome of the First wwPDB Hybrid/Integrative Methods Task Force Workshop. (2015) (163)
- Software for handling macromolecular envelopes. (1999) (163)
- Validation of protein models from Calpha coordinates alone. (1997) (162)
- Crystallographic refinement of ligand complexes (2006) (162)
- EMDataBank unified data resource for 3DEM (2013) (161)
- Efficient rebuilding of protein structures. (1996) (159)
- Validation of Structures in the Protein Data Bank (2017) (158)
- Crystallographic evidence for substrate ring distortion and protein conformational changes during catalysis in cellobiohydrolase Ce16A from trichoderma reesei. (1999) (155)
- Validation of protein crystal structures. (2000) (143)
- Déjà vu all over again: finding and analyzing protein structure similarities. (2004) (143)
- Limitations and lessons in the use of X-ray structural information in drug design (2008) (142)
- Recommendations of the wwPDB NMR Validation Task Force. (2013) (141)
- The active site of cellobiohydrolase Cel6A from Trichoderma reesei: the roles of aspartic acids D221 and D175. (2002) (138)
- Towards complete validated models in the next generation of ARP/wARP. (2004) (136)
- An Alternative Method for the Evaluation of Docking Performance: RSR vs RMSD (2008) (135)
- Not your average density. (1997) (128)
- Experimental assessment of differences between related protein crystal structures. (1999) (127)
- Evaluation of protein fold comparison servers (2003) (124)
- PDBe: Protein Data Bank in Europe (2010) (124)
- PDBe: improved accessibility of macromolecular structure data from PDB and EMDB (2015) (117)
- The Protein Data Bank at 40: reflecting on the past to prepare for the future. (2012) (111)
- The Protein Data Bank archive as an open data resource (2014) (109)
- Unidentate versus symmetrically and unsymmetrically bidentate nitrate co-ordination in pyrazole-containing chelates. The crystal and molecular structures of (nitrato-O)[tris(3,5-dimethylpyrazol-1-ylmethyl)amine]copper(II) nitrate, (nitrato-O,O′)[tris(3,5-dimethylpyrazol-1-ylmethyl)amine]nickel(II) n (1985) (104)
- OneDep: Unified wwPDB System for Deposition, Biocuration, and Validation of Macromolecular Structures in the PDB Archive. (2017) (98)
- Pound-wise but penny-foolish: How well do micromolecules fare in macromolecular refinement? (2003) (92)
- Implementing an X-ray validation pipeline for the Protein Data Bank (2012) (87)
- Template convolution to enhance or detect structural features in macromolecular electron-density maps. (1997) (84)
- Resolution of ab initio shapes determined from small-angle scattering (2016) (83)
- A survey of left-handed helices in protein structures. (2005) (81)
- PDBe: improved findability of macromolecular structure data in the PDB (2019) (80)
- The active site of Trichoderma reesei cellobiohydrolase II: the role of tyrosine 169. (1996) (77)
- Report of the wwPDB Small-Angle Scattering Task Force: data requirements for biomolecular modeling and the PDB. (2013) (75)
- The future of the Protein Data Bank. (2013) (75)
- Structure of human semicarbazide-sensitive amine oxidase/vascular adhesion protein-1. (2005) (74)
- PDBe: towards reusable data delivery infrastructure at protein data bank in Europe (2017) (73)
- Engineering of a glycosidase Family 7 cellobiohydrolase to more alkaline pH optimum: the pH behaviour of Trichoderma reesei Cel7A and its E223S/ A224H/L225V/T226A/D262G mutant. (2001) (63)
- Genome3D: a UK collaborative project to annotate genomic sequences with predicted 3D structures based on SCOP and CATH domains (2012) (61)
- Binding site differences revealed by crystal structures of Plasmodium falciparum and bovine acyl-CoA binding protein. (2001) (61)
- Outcome of the First wwPDB/CCDC/D3R Ligand Validation Workshop. (2016) (58)
- New crystal structures of human glutathione transferase A1-1 shed light on glutathione binding and the conformation of the C-terminal helix. (2006) (55)
- CASP3 comparative modeling evaluation (1999) (53)
- The structures of alpha 2u-globulin and its complex with a hyaline droplet inducer. (1999) (51)
- A versatile approach toward the partially automatic recognition of cross peaks in 2D 1H NMR spectra (1990) (50)
- Assignment strategies in homonuclear three-dimensional 1H NMR spectra of proteins. (1990) (50)
- A 3D cellular context for the macromolecular world (2014) (48)
- Structural basis of the suppressed catalytic activity of wild-type human glutathione transferase T1-1 compared to its W234R mutant. (2006) (48)
- Interactive motif and fold recognition in protein structures (2002) (47)
- The Worldwide Protein Data Bank (2012) (46)
- Genome3D: exploiting structure to help users understand their sequences (2014) (45)
- Data management challenges in three-dimensional EM (2012) (45)
- Worldwide Protein Data Bank biocuration supporting open access to high-quality 3D structural biology data (2018) (40)
- Homonuclear three-dimensional proton NMR spectroscopy of pike parvalbumin. Comparison of short- and medium-range NOEs from 2D and 3D NMR (1990) (40)
- Practical application of bioinformatics by the multidisciplinary VIZIER consortium (2010) (39)
- REMBI: Recommended Metadata for Biological Images—enabling reuse of microscopy data in biology (2021) (39)
- On vital aid: the why, what and how of validation (2009) (38)
- Artificial intelligence used for the interpretation of combined spectral data. 3. Automated generation of interpretation rules for infrared spectral data (1987) (38)
- NMR Exchange Format: a unified and open standard for representation of NMR restraint data (2015) (37)
- How community has shaped the Protein Data Bank. (2013) (36)
- Validation of ligands in macromolecular structures determined by X-ray crystallography (2018) (36)
- The Protein Data Bank in Europe (PDBe): bringing structure to biology (2011) (35)
- A chemogenomics view on protein-ligand spaces (2009) (33)
- Validation of protein crystal structures (2006) (32)
- Interaction Model Based on Local Protein Substructures Generalizes to the Entire Structural Enzyme-Ligand Space (2008) (31)
- Web-based visualisation and analysis of 3D electron-microscopy data from EMDB and PDB☆ (2013) (31)
- PDBe: Protein Data Bank in Europe (2013) (31)
- Building bridges between cellular and molecular structural biology (2017) (31)
- The archiving and dissemination of biological structure data. (2016) (30)
- The crystal structure of Echinococcus granulosus fatty-acid-binding protein 1. (2003) (30)
- Chapter 17.1 Around O (2006) (30)
- Toward automatic assignment of protein 1H NMR spectra (1989) (29)
- Computer-assisted assignment of 2D1H NMR spectra of proteins: Basic algorithms and application to phoratoxin B (1991) (28)
- Improving the representation of peptide-like inhibitor and antibiotic molecules in the Protein Data Bank (2014) (28)
- Report of a workshop on the use of statistical validators in protein X-ray crystallography. (1996) (27)
- ValLigURL: a server for ligand-structure comparison and validation. (2007) (26)
- Quality control in databanks for molecular biology. (2000) (25)
- A re-evaluation of the crystal structure of chloromuconate cycloisomerase. (1995) (25)
- Computer-Assisted Assignment of Homonuclear 3D NMR Spectra of Proteins. Application to Pike Parvalbumin III (1993) (24)
- Incorporation of a single His residue by rational design enables thiol-ester hydrolysis by human glutathione transferase A1-1. (2004) (23)
- The 2010 cryo‐em modeling challenge (2012) (22)
- Case-controlled structure validation (2009) (20)
- Storing diffraction data (1996) (18)
- On the precision of calculated solvent-accessible surface areas. (2007) (18)
- The EBI enzyme portal (2012) (18)
- Towards Proteome–Wide Interaction Models Using the Proteochemometrics Approach (2010) (16)
- Crystallization of a truncated soluble human semicarbazide-sensitive amine oxidase. (2005) (16)
- Separating model optimization and model validation in statistical cross-validation as applied to crystallography. (2007) (16)
- Vivaldi: Visualization and validation of biomacromolecular NMR structures from the PDB (2012) (15)
- The role of structural bioinformatics resources in the era of integrative structural biology (2013) (15)
- Worldwide Protein Data Bank validation information: usage and trends (2018) (14)
- A paradigm shift in structural biology (2022) (14)
- Quality control and validation. (2007) (13)
- Recognition of spatial motifs in protein structures (2000) (12)
- Web-based volume slicer for 3D electron-microscopy data from EMDB (2016) (12)
- Structures of cellular retinoic acid binding proteins I and II in complex with synthetic retinoids. (1999) (12)
- Structural biology data archiving – where we are and what lies ahead (2018) (11)
- Safeguarding the integrity of protein archive (2010) (11)
- Artificial intelligence used for the interpretation of combined spectral data *1 : Part II. PEGASUS: a PROLOG program for the generation of acyclic molecular structures (1987) (11)
- Making the most of your search model (1996) (10)
- Experimental Data for Structure Papers (2007) (10)
- The BioImage Archive - building a home for life-sciences microscopy data (2021) (9)
- PROLOG for chemists. Part 2 (1989) (9)
- Density modification: theory and practice (2001) (9)
- Straightforward and complete deposition of NMR data to the PDBe (2010) (9)
- EMPIAR: the Electron Microscopy Public Image Archive (2022) (8)
- Interaction Model Based on Local Protein Substructures Generalizes to the Entire Structural Enzyme‐Ligand Space. (2009) (8)
- PROLOG for Chemists. Part 1 (1988) (8)
- The BioImage Archive - building a home for life-sciences microscopy data. (2022) (7)
- Braille for pugilists (1995) (7)
- The wwPDB common tool for deposition and annotation (2011) (6)
- Chemical applications of PROLOG interpretation of mass spectral peaks (1987) (6)
- IUCr , 1998 Databases in protein crystallography (1998) (6)
- Data-deposition protocols for correlative soft X-ray tomography and super-resolution structured illumination microscopy applications (2021) (6)
- Au or FeS2? Validation of protein models and refinement protocols (1996) (5)
- CryoEM Models and Associated Data Submitted to the 2015/2016 EMDataBank Model Challenge (2018) (4)
- PDB 40 : The Protein Data Bank Celebrates its 40 th Birthday (4)
- Comment on On the propagation of errors by Jaskolski (2013) (2013) (4)
- Human glutathione-S-transferase T1-1, W234R mutant, apo form (2005) (3)
- Correlative multimodal imaging: Building a community. (2021) (3)
- PDBe and PDBe‐KB: Providing high‐quality, up‐to‐date and integrated resources of macromolecular structures to support basic and applied research and education (2022) (3)
- WORKSHOP ON THE VALIDATION AND MODELING OF ELECTRON CRYO-MICROSCOPY STRUCTURES OF BIOLOGICAL NANOMACHINES (2011) (3)
- The active site in class alpha glutathione transferases (1993) (3)
- Validation analysis of EMDB entries (2021) (3)
- Integrative Structural Biology with Hybrid Methods (2018) (2)
- Chapter 4:Application and Limitations of X-Ray Crystallographic Data in Structure-Guided Ligand and Drug Design (2007) (2)
- Human glutathione-S-transferase T1-1, apo form (2005) (2)
- Crystallization and preliminary X-ray analysis of recombinant bovine cellular retinoic acid-binding protein. (1994) (2)
- Retrieval and validation of structural information (2005) (2)
- 3D-Strudel - a novel model-dependent map-feature validation method for high-resolution cryo-EM structures (2021) (2)
- THE CRYSTAL STRUCTURES OF A2U-GLOBULIN AND ITS COMPLEX WITH A HYALINE DROPLET INDUCER. (1999) (2)
- Computer-Aided Spectroscopic Structure Analysis of Organic Molecules Using Library Search and Artificial Intelligence (1988) (1)
- Comment on Timely deposition of macromolecular structures is necessary for peer review by Joosten et al. (2013) (2013) (1)
- Glucomannan and beta-glucan degradation by Mytilus edulis Cel45A: Crystal structure and activity comparison with GH45 subfamily A, B and C. (2021) (1)
- Image archiving at EMBL-EBI - EMPIAR and the BioImage Archive (2021) (1)
- Protein Three-Dimensional Structure Validation (2007) (1)
- Whither structural biologists? (2022) (1)
- ENDOGLUCANASE I FROM TRICHODERMA REESEI (1997) (1)
- Unidentate versus Symmetrically and Unsymmetrically Bidentate Nitrate Co-ordination in Pyrazole-containing Chelates. (1986) (1)
- A new enzyme by rational design - the incorporation of a single His residue enables efficient thioester hydrolysis by human glutathione transferase A1-1 (2004) (1)
- Fasciculins, cholinesterase inhibitors from mamba venoms (1998) (1)
- Response to On prompt update of literature references in the Protein Data Bank (2014) (1)
- EMBL’s European Bioinformatics Institute (EMBL-EBI) in 2022 (2022) (1)
- Integration of chemical information with protein sequences and 3D structures (2010) (1)
- Low-resolution structure determination and validation (2009) (1)
- NEWS FROM THE UPPSALA SOFTWARE FACTORY-3 OOPS-a-daisy (2007) (1)
- Human glutathione-S-transferase T1-1 W234R mutant, complex with S- hexylglutathione (2005) (0)
- Computational methods in chemical design — molecular modelling — theory and experiment, Schloss Elmau, F.R.G., 10–15 October 1988 (1989) (0)
- CEL6A D221A mutant (2002) (0)
- Structure Ways & Means A New Generation of Crystallographic Validation Tools for the Protein Data Bank (0)
- Detecting register shifts in protein crystal structures (2007) (0)
- Beta-1,4-D-endoglucanase Cel45A from blue mussel Mytilus edulis at 1.2A (2006) (0)
- Education in chemometrics in the Netherlands (1988) (0)
- ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH FASCICULIN-II (1996) (0)
- Chemometrics and Species Identification : (Topics in Current Chemistry 141), edited by M.J.S. Dewar et al., Springer-Verlag, 1987, DM 108 (XVIII + 184 pages) ISBN 3-540-17308-0 (1987) (0)
- Crystal structure of human glutathione transferase (GST) A1-1 T68E mutant in complex with decarboxy-glutathione (2004) (0)
- CELLULAR RETINOIC ACID BINDING PROTEIN II IN COMPLEX WITH A SYNTHETIC RETINOIC ACID (RO-12 7310) (1999) (0)
- The wwPDB working format: a simplified application of CIF technology (2011) (0)
- PDBe – bringing structure to biology (2012) (0)
- Bringing validation information closer to the user (2018) (0)
- Chemical structures—The international language of chemistry, Noordwijkerhout, The Netherlands, 31 May–4 June 1987 (1988) (0)
- Collaboration, competition, validation and plans for the future : an interview with Gerard Kleywegt, Head of the Protein Data Bank in Europe. Interviewed by Wendy A Warr. (2010) (0)
- Towards Public Archiving of Large, Multi-Modal Imaging Datasets (2022) (0)
- Validation and errors in protein structures (2011) (0)
- Resolution and validation of SAS-based structural models (2017) (0)
- Frontiers in computing, Amsterdam, The Netherlands, 9–11 December 1987 (1988) (0)
- Structure and interactions of a complex of snake venom toxin and acetylcholinesterase (1996) (0)
- Crystal structure of human glutathione transferase (GST) A1-1 (2004) (0)
- Establishing a Shared Imaging Research Infrastructure in the UK - A BioImagingUK White Paper (2020) (0)
- Structure of bovine Acyl-CoA binding protein in orthorhombic crystal form (2002) (0)
- STELLA and CLAIRE: A Seraglio of Programs for Human-Aided Assignment of 2D 1H NMR Spectra of Proteins (1991) (0)
- Community recommendations on validating cryo-EM models and data (2021) (0)
- Validation information in the Protein Data Bank: What is it and why should you care? (2018) (0)
- Crystal structure of the 2-hydrazinopyridine of semicarbazide- sensitive amine oxidase (2006) (0)
- Crystal structure of human glutathione transferase (GST) A1-1 in complex with glutathione (2004) (0)
- Human GST A1-1 T68E mutant (2005) (0)
- Crystallographic methods and protocols. Methods in molecular biology, vol. 56 (1996) (0)
- Three-dimensional Structure Databases of Biological Macromolecules. (2022) (0)
- Structural Bioinformatics-Understanding Protein Structure and Function (2005) (0)
- Volume EM: a quiet revolution takes shape. (2023) (0)
- The structure of a truncated, soluble version of semicarbazide- sensitive amine oxidase (2006) (0)
- Engineering the catalytic and binding properties of the cellobiohydrolases from Trichoderma reesei (1999) (0)
- Computer simulations in protein engineering and drug design, Amsterdam, The Netherlands, 20–23 April 1988 (1988) (0)
- Crystal structure of human glutathione transferase (GST) A1-1 in complex with a decarboxy-glutathione (2004) (0)
- Very large scale integration and artificial intelligence. Future computer technology : Report of a talk by G. Heilmeier, Senoir Vice-President and Chief Technical Officers of Texas Instruments, presented at the RAI Congress Centre in Amsterdam on 12 November 1986 (1987) (0)
- Structure of bovine Acyl-CoA binding protein in tetragonal crystal form (2002) (0)
- CELLULAR RETINOIC ACID BINDING PROTEIN I IN COMPLEX WITH A RETINOBENZOIC ACID (AM80) (1999) (0)
- Rational design of a novel enzyme - efficient thioester hydrolysis enabled by the incorporation of a single His residue into human glutathione transferase A1-1 (2004) (0)
- Workshop Introduction (2011) (0)
- Structure-Based Drug Design Application and Limitations of X-ray Crystallographic Data in Structure-Based Ligand and Drug Design (2003) (0)
- New wwPDB validation pipelines for X-ray, NMR and 3DEM structures (2014) (0)
- NEWS FROM THE UPPSALA SOFTWARE FACTORY-8 Les amis d ’ O (2007) (0)
- CELLOBIOHYDROLASE II, CATALYTIC DOMAIN, MUTANT Y169F (1996) (0)
- CELLULAR RETINOIC ACID BINDING PROTEIN II IN COMPLEX WITH A SYNTHETIC RETINOIC ACID (RO-13 6307) (1999) (0)
- Author response: Building bridges between cellular and molecular structural biology (2017) (0)
- Computers in yesterday's laboratory (1990) (0)
- Reliability of protein structure determination (1996) (0)
- Studies on the 3-D structure of Torpedo Acetylcholinesterase (1996) (0)
- Educational Outreach and User Training at the Worldwide Protein Data Bank (2014) (0)
- The wwPDB and future perspectives in sharing macromolecular data (2011) (0)
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What Schools Are Affiliated With Gerard Kleywegt?
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