| # | Title | Journal | Year | Citations |
|---|
| 1 | CATH – a hierarchic classification of protein domain structures | Structure | 1997 | 2,347 |
| 2 | Structures and mechanisms of glycosyl hydrolases | Structure | 1995 | 1,803 |
| 3 | Desulfovibrio desulfuricans iron hydrogenase: the structure shows unusual coordination to an active site Fe binuclear center | Structure | 1999 | 1,320 |
| 4 | Solution structure of the human telomeric repeat d[AG3(T2AG3)3] G-tetraplex | Structure | 1993 | 1,283 |
| 5 | Protein Disorder Prediction | Structure | 2003 | 1,119 |
| 6 | The crystal structure of the light-harvesting complex II (B800–850) from Rhodospirillum molischianum | Structure | 1996 | 1,056 |
| 7 | High-Resolution Comparative Modeling with RosettaCM | Structure | 2013 | 1,010 |
| 8 | A Specific Cholesterol Binding Site Is Established by the 2.8 Å Structure of the Human β2-Adrenergic Receptor | Structure | 2008 | 892 |
| 9 | Structure of the photosynthetic reaction centre from Rhodobacter sphaeroides at 2.65 å resolution: cofactors and protein-cofactor interactions | Structure | 1994 | 853 |
| 10 | Flexible Fitting of Atomic Structures into Electron Microscopy Maps Using Molecular Dynamics | Structure | 2008 | 833 |
| 11 | The sequence, crystal structure determination and refinement of two crystal forms of lipase B from Candida antarctica | Structure | 1994 | 817 |
| 12 | Thioredoxin —a fold for all reasons | Structure | 1995 | 746 |
| 13 | A Smoothed Backbone-Dependent Rotamer Library for Proteins Derived from Adaptive Kernel Density Estimates and Regressions | Structure | 2011 | 736 |
| 14 | Bovine β-lactoglobulin at 1.8 Å resolution — still an enigmatic lipocalin | Structure | 1997 | 674 |
| 15 | Structures of the native and swollen forms of cowpea chlorotic mottle virus determined by X-ray crystallography and cryo-electron microscopy | Structure | 1995 | 672 |
| 16 | Structure of acetylcholinesterase complexed with E2020 (Aricept®): implications for the design of new anti-Alzheimer drugs | Structure | 1999 | 667 |
| 17 | The physiological structure of human C-reactive protein and its complex with phosphocholine | Structure | 1999 | 656 |
| 18 | Structure and function of cytochromes P450:a comparative analysis of three crystal structures | Structure | 1995 | 642 |
| 19 | Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases | Structure | 2004 | 633 |
| 20 | Fluorescence-Detection Size-Exclusion Chromatography for Precrystallization Screening of Integral Membrane Proteins | Structure | 2006 | 628 |
| 21 | ALS Mutations Disrupt Phase Separation Mediated by α-Helical Structure in the TDP-43 Low-Complexity C-Terminal Domain | Structure | 2016 | 617 |
| 22 | Hepatitis C virus NS3 RNA helicase domain with a bound oligonucleotide: the crystal structure provides insights into the mode of unwinding | Structure | 1998 | 601 |
| 23 | Crystal structure of firefly luciferase throws light on a superfamily of adenylate-forming enzymes | Structure | 1996 | 594 |
| 24 | Structural differences between mesophilic, moderately thermophilic and extremely thermophilic protein subunits: results of a comprehensive survey | Structure | 2000 | 588 |
| 25 | 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 | 577 |
| 26 | New tricks for modelers from the crystallography toolkit: the particle mesh Ewald algorithm and its use in nucleic acid simulations | Structure | 1999 | 571 |
| 27 | Hydration structure of a collagen peptide | Structure | 1995 | 570 |
| 28 | The Structural Biology of Toll-like Receptors | Structure | 2011 | 559 |
| 29 | Volume changes on protein folding | Structure | 1994 | 546 |
| 30 | Phi/Psi-chology: Ramachandran revisited | Structure | 1996 | 525 |
| 31 | Structure of an aromatic-ring-hydroxylating dioxygenase – naphthalene 1,2-dioxygenase | Structure | 1998 | 512 |
| 32 | Structure of the Adenosine A2A Receptor in Complex with ZM241385 and the Xanthines XAC and Caffeine | Structure | 2011 | 505 |
| 33 | Binding of Small-Molecule Ligands to Proteins: “What You See” Is Not Always “What You Get” | Structure | 2009 | 500 |
| 34 | Biology of Amyloid: Structure, Function, and Regulation | Structure | 2010 | 496 |
| 35 | Structure of human chorionic gonadotropin at 2.6 å resolution from MAD analysis of the selenomethionyl protein | Structure | 1994 | 493 |
| 36 | How coenzyme B12 radicals are generated: the crystal structure of methylmalonyl-coenzyme A mutase at 2 å resolution | Structure | 1996 | 493 |
| 37 | The Structure of the Mammalian 20S Proteasome at 2.75 Å Resolution | Structure | 2002 | 490 |
| 38 | Lysine Methylation as a Routine Rescue Strategy for Protein Crystallization | Structure | 2006 | 483 |
| 39 | Transient Protein-Protein Interactions: Structural, Functional, and Network Properties | Structure | 2010 | 467 |
| 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 | 462 |
| 41 | Structure and Signaling Mechanism of Per-ARNT-Sim Domains | Structure | 2009 | 457 |
| 42 | Usefulness and Limitations of Normal Mode Analysis in Modeling Dynamics of Biomolecular Complexes | Structure | 2005 | 450 |
| 43 | The crystal structure of a reduced [NiFeSe] hydrogenase provides an image of the activated catalytic center | Structure | 1999 | 448 |
| 44 | The crystal structure of chloroperoxidase: a heme peroxidase–cytochrome P450 functional hybrid | Structure | 1995 | 446 |
| 45 | The structure of Pyrococcus furiosus glutamate dehydrogenase reveals a key role for ion-pair networks in maintaining enzyme stability at extreme temperatures | Structure | 1995 | 445 |
| 46 | Structure of the RNA-dependent RNA polymerase of poliovirus | Structure | 1997 | 445 |
| 47 | Watching proteins move using site-directed spin labeling | Structure | 1996 | 433 |
| 48 | Structural basis of inhibitor selectivity in MAP kinases | Structure | 1998 | 433 |
| 49 | Protein, lipid and water organization in bacteriorhodopsin crystals: a molecular view of the purple membrane at 1.9 Å resolution | Structure | 1999 | 431 |
| 50 | Crystal Structure of the Boronic Acid-Based Proteasome Inhibitor Bortezomib in Complex with the Yeast 20S Proteasome | Structure | 2006 | 431 |
