| 1 | CATH – a hierarchic classification of protein domain structures | Structure | 1997 | 2,508 |
| 2 | Structures and mechanisms of glycosyl hydrolases | Structure | 1995 | 1,901 |
| 3 | Desulfovibrio desulfuricans iron hydrogenase: the structure shows unusual coordination to an active site Fe binuclear center | Structure | 1999 | 1,370 |
| 4 | Solution structure of the human telomeric repeat d[AG3(T2AG3)3] G-tetraplex | Structure | 1993 | 1,346 |
| 5 | Protein Disorder Prediction | Structure | 2003 | 1,175 |
| 6 | High-Resolution Comparative Modeling with RosettaCM | Structure | 2013 | 1,150 |
| 7 | The crystal structure of the light-harvesting complex II (B800–850) from Rhodospirillum molischianum | Structure | 1996 | 1,090 |
| 8 | A Smoothed Backbone-Dependent Rotamer Library for Proteins Derived from Adaptive Kernel Density Estimates and Regressions | Structure | 2011 | 952 |
| 9 | A Specific Cholesterol Binding Site Is Established by the 2.8 Å Structure of the Human β2-Adrenergic Receptor | Structure | 2008 | 940 |
| 10 | Flexible Fitting of Atomic Structures into Electron Microscopy Maps Using Molecular Dynamics | Structure | 2008 | 912 |
| 11 | The sequence, crystal structure determination and refinement of two crystal forms of lipase B from Candida antarctica | Structure | 1994 | 870 |
| 12 | Structure of the photosynthetic reaction centre from Rhodobacter sphaeroides at 2.65 å resolution: cofactors and protein-cofactor interactions | Structure | 1994 | 866 |
| 13 | ALS Mutations Disrupt Phase Separation Mediated by α-Helical Structure in the TDP-43 Low-Complexity C-Terminal Domain | Structure | 2016 | 801 |
| 14 | Thioredoxin —a fold for all reasons | Structure | 1995 | 774 |
| 15 | Fluorescence-Detection Size-Exclusion Chromatography for Precrystallization Screening of Integral Membrane Proteins | Structure | 2006 | 719 |
| 16 | Structure of acetylcholinesterase complexed with E2020 (Aricept®): implications for the design of new anti-Alzheimer drugs | Structure | 1999 | 715 |
| 17 | The physiological structure of human C-reactive protein and its complex with phosphocholine | Structure | 1999 | 706 |
| 18 | Structures of the native and swollen forms of cowpea chlorotic mottle virus determined by X-ray crystallography and cryo-electron microscopy | Structure | 1995 | 702 |
| 19 | Bovine β-lactoglobulin at 1.8 Å resolution — still an enigmatic lipocalin | Structure | 1997 | 696 |
| 20 | Structure and function of cytochromes P450:a comparative analysis of three crystal structures | Structure | 1995 | 680 |
| 21 | Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases | Structure | 2004 | 672 |
| 22 | Structural differences between mesophilic, moderately thermophilic and extremely thermophilic protein subunits: results of a comprehensive survey | Structure | 2000 | 632 |
| 23 | Crystal structure of firefly luciferase throws light on a superfamily of adenylate-forming enzymes | Structure | 1996 | 628 |
| 24 | New tricks for modelers from the crystallography toolkit: the particle mesh Ewald algorithm and its use in nucleic acid simulations | Structure | 1999 | 624 |
| 25 | The Structural Biology of Toll-like Receptors | Structure | 2011 | 624 |
| 26 | Performance and Its Limits in Rigid Body Protein-Protein Docking | Structure | 2020 | 616 |
| 27 | Hepatitis C virus NS3 RNA helicase domain with a bound oligonucleotide: the crystal structure provides insights into the mode of unwinding | Structure | 1998 | 611 |
| 28 | Hydration structure of a collagen peptide | Structure | 1995 | 607 |
| 29 | Structure at 2.3 Å resolution of the cytochrome bc1 complex from the yeast Saccharomyces cerevisiae co-crystallized with an antibody Fv fragment | Structure | 2000 | 582 |
| 30 | Volume changes on protein folding | Structure | 1994 | 567 |
| 31 | Binding of Small-Molecule Ligands to Proteins: “What You See” Is Not Always “What You Get” | Structure | 2009 | 559 |
| 32 | Biology of Amyloid: Structure, Function, and Regulation | Structure | 2010 | 551 |
| 33 | Structure of the Adenosine A2A Receptor in Complex with ZM241385 and the Xanthines XAC and Caffeine | Structure | 2011 | 550 |
| 34 | Phi/Psi-chology: Ramachandran revisited | Structure | 1996 | 545 |
| 35 | Structure of an aromatic-ring-hydroxylating dioxygenase – naphthalene 1,2-dioxygenase | Structure | 1998 | 529 |
| 36 | Outcome of the First Electron Microscopy Validation Task Force Meeting | Structure | 2012 | 522 |
| 37 | Transient Protein-Protein Interactions: Structural, Functional, and Network Properties | Structure | 2010 | 514 |
| 38 | The Structure of the Mammalian 20S Proteasome at 2.75 Å Resolution | Structure | 2002 | 507 |
| 39 | Structure and Signaling Mechanism of Per-ARNT-Sim Domains | Structure | 2009 | 503 |
| 40 | A new proposal for urease mechanism based on the crystal structures of the native and inhibited enzyme from Bacillus pasteurii: why urea hydrolysis costs two nickels | Structure | 1999 | 499 |
| 41 | Structure of human chorionic gonadotropin at 2.6 å resolution from MAD analysis of the selenomethionyl protein | Structure | 1994 | 498 |
| 42 | How coenzyme B12 radicals are generated: the crystal structure of methylmalonyl-coenzyme A mutase at 2 å resolution | Structure | 1996 | 498 |
| 43 | Lysine Methylation as a Routine Rescue Strategy for Protein Crystallization | Structure | 2006 | 497 |
| 44 | Structure of the Complex of Human Programmed Death 1, PD-1, and Its Ligand PD-L1 | Structure | 2015 | 486 |
| 45 | Usefulness and Limitations of Normal Mode Analysis in Modeling Dynamics of Biomolecular Complexes | Structure | 2005 | 477 |
| 46 | The crystal structure of chloroperoxidase: a heme peroxidase–cytochrome P450 functional hybrid | Structure | 1995 | 470 |
| 47 | Crystal Structure of the Boronic Acid-Based Proteasome Inhibitor Bortezomib in Complex with the Yeast 20S Proteasome | Structure | 2006 | 463 |
| 48 | Structural Basis for Allosteric Regulation of the Monomeric Allosteric Enzyme Human Glucokinase | Structure | 2004 | 460 |
| 49 | The crystal structure of a reduced [NiFeSe] hydrogenase provides an image of the activated catalytic center | Structure | 1999 | 457 |
| 50 | A New Generation of Crystallographic Validation Tools for the Protein Data Bank | Structure | 2011 | 456 |
