Structural Aspects of Metal Liganding to Functional Groups in Proteins

Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides

1976 • 58,919 citations

The Nature of the Chemical Bond

1939 • 13,296 citations

The protein data bank: A computer-based archival file for macromolecular structures

1977 • 8,627 citations

Effective ionic radii in oxides and fluorides

1969 • 8,203 citations

Stability of polyatomic molecules in degenerate electronic states - I—Orbital degeneracy

1937 • 3,026 citations

Stereochemistry of Cooperative Effects in Haemoglobin: Haem–Haem Interaction and the Problem of Allostery

1970 • 2,874 citations

Hard and soft acids and bases, HSAB, part 1: Fundamental principles

1968 • 2,200 citations

Inorganic Chemistry: Principles of Structure and Reactivity

2024 • 2,174 citations

Zinc Finger-DNA Recognition: Crystal Structure of a Zif268-DNA Complex at 2.1 Å

1991 • 2,034 citations

637. The stability of transition-metal complexes

1953 • 1,909 citations

THE PRINCIPLES DETERMINING THE STRUCTURE OF COMPLEX IONIC CRYSTALS

1929 • 1,848 citations

Hydrogen bonding in globular proteins

1984 • 1,760 citations

Zinc coordination, function, and structure of zinc enzymes and other proteins

1990 • 1,731 citations

Absolute electronegativity and hardness correlated with molecular orbital theory

1986 • 1,502 citations

Chemical reactivity and the concept of charge- and frontier-controlled reactions

1968 • 1,456 citations

Carp Muscle Calcium-binding Protein

1973 • 1,359 citations

Empirical bond-strength–bond-length curves for oxides

1973 • 1,324 citations

Structure of Myoglobin: A Three-Dimensional Fourier Synthesis at 2 Å. Resolution

1960 • 1,313 citations

The Cambridge Crystallographic Data Centre: computer-based search, retrieval, analysis and display of information

1979 • 1,145 citations

Order of Stability of Metal Complexes

1948 • 1,125 citations

Potential Metal-Binding Domains in Nucleic Acid Binding Proteins

1986 • 1,096 citations

A scale of electronegativity based on electrostatic force

1958 • 1,070 citations

Three-dimensional structure of calmodulin

1985 • 1,035 citations

Hard and soft acids and bases, HSAB, part II: Underlying theories

1968 • 958 citations

Determination and analysis of the 2 Å structure of copper, zinc superoxide dismutase

1982 • 932 citations

Acids and Bases

1966 • 926 citations

Structure and mechanism of copper, zinc superoxide dismutase

1983 • 917 citations

The relative affinities of ligand atoms for acceptor molecules and ions

1958 • 887 citations

CRYSTAL STRUCTURES OF THE HELIX-LOOP-HELIX CALCIUM-BINDING PROTEINS

1989 • 855 citations

Inorganic Biochemistry

1974 • 834 citations

Three-dimensional structure of the free radical protein of ribonucleotide reductase

1990 • 833 citations

Recognition of stereochemical paths by orbital interaction

1971 • 818 citations

The 2.6-A crystal structure of Pseudomonas putida cytochrome P-450.

1985 • 815 citations

Protein crystallography

1977 • 713 citations

Inorganic Crystal Structure Database

1981 • 691 citations

‘Zinc fingers’: a novel protein motif for nucleic acid recognition

1987 • 676 citations

Valence and the structure of atoms and molecules

1923 • 675 citations

The inorganic crystal structure data base

1983 • 638 citations

Metalloenzymes: the entatic nature of their active sites.

1968 • 625 citations

Structure of the calcium regulatory muscle protein troponin-C at 2.8 Å resolution

1985 • 619 citations

Iron transport in microbes, plants and animals

1988 • 604 citations

Crystal structure of substrate-free Pseudomonas putida cytochrome P-450

1986 • 545 citations

Directional preferences of nonbonded atomic contacts with divalent sulfur. 1. Electrophiles and nucleophiles

1977 • 509 citations

Structure of oxidized poplar plastocyanin at 1·6 Å resolution

1983 • 508 citations

The inorganic chemistry of biological processes

1988 • 486 citations

Structure of Rhombohedral 2 Zinc Insulin Crystals

1969 • 484 citations

Iron-sulfur proteins,

1973 • 463 citations

Ligand-field theory

1957 • 456 citations

Recent advances in the stereochemistry of metallotetrapyrroles

2006 • 449 citations

Structure of thermolysin refined at 1.6 Å resolution

1982 • 443 citations

Refinement of the structure of carp muscle calcium-binding parvalbumin by model building and difference fourier analysis

1975 • 433 citations

Active-site zinc ligands and activated H2O of zinc enzymes.

1990 • 432 citations

Structure of bovine pancreatic phospholipase A2 at 1.7 Å resolution

1981 • 429 citations

Beitrag zur Konstitution anorganischer Verbindungen

1893 • 428 citations

Hemes and Hemoproteins

1966 • 423 citations

The inorganic chemistry of biological processes

1973 • 414 citations

Stereochemistry of cooperative mechanisms in hemoglobin

1987 • 414 citations

Carboxypeptidase A: A Protein and an Enzyme

1971 • 396 citations

Refined crystal structure of carboxypeptidase a at 1·54 Å resolution

1983 • 391 citations

Structure of myohemerythrin in the azidomet state at resolution

1987 • 377 citations

Staphylococcal nuclease: Proposed mechanism of action based on structure of enzyme—thymidine 3′,5′-bisphosphate—calcium ion complex at 1.5-Å resolution

1979 • 375 citations

Valence and the structure of atoms and molecules

1923 • 362 citations

Iron transport in microbes, plants, and animals

1987 • 359 citations

Tilden Lecture. The biochemistry of sodium, potassium, magnesium, and calcium

1970 • 353 citations

A crystallographic model for azurin at 3 Å resolution

1978 • 352 citations

Complex Formation between Metallic Cations and Proteins, Peptides, and Amino Acids

1956 • 343 citations

The refined structure of vitamin D-dependent calcium-binding protein from bovine intestine. Molecular details, ion binding, and implications for the structure of other calcium-binding proteins.

1986 • 340 citations

Metal Ions in Biological Systems

1989 • 336 citations

Bond valences—a simple structural model for inorganic chemistry

1978 • 335 citations

The Conformation of Thermolysin

1974 • 332 citations

3.2 Å structure of the copper-containing, oxygen-carrying protein Panulirus interruptus haemocyanin

1984 • 332 citations

Crystal structure analyses of reduced (CuI) poplar plastocyanin at six pH values

1986 • 321 citations

Where metal ions bind in proteins.

1990 • 318 citations

Calcium binding in .alpha.-amylases: an x-ray diffraction study at 2.1-.ANG. resolution of two enzymes from Aspergillus

1990 • 317 citations

Intermolecular interactions of the carbon-fluorine bond: the crystallographic environment of fluorinated carboxylic acids and related structures

1983 • 302 citations

NH---S hydrogen bonds in Peptococcus aerogenes ferredoxin, Clostridium pasteurianum rubredoxin, and Chromatium high potential iron protein.

1975 • 301 citations

An Introduction to Transition-Metal Chemistry. Ligand-Field Theory.

1961 • 270 citations

Crystal Structure of Cd,Zn Metallothionein

1986 • 270 citations

The crystal structure of the ternary complex of staphylococcal nuclease, Ca²⁺ and the inhibitor pdTp, refined at 1.65 Å

1989 • 258 citations

Structural Features of Azurin at 2.7 Å Resolution

1981 • 254 citations

Crystal structure of bovine trypsinogen at 1·8 Å resolution

1977 • 242 citations

Crystal structure and chemical constitution

1929 • 240 citations

Struktur und Deformation der Elektronenh�llen in ihrer Bedeutung f�r die chemischen und optischen Eigenschaften anorganischer Verbindungen

1923 • 240 citations

What factors determine cation coordination numbers?

1988 • 238 citations

A new force field for modeling metalloproteins

1990 • 236 citations

Binding of hydroxamic acid inhibitors to crystalline thermolysin suggests a pentacoordinate zinc intermediate in catalysis

1981 • 231 citations

Stereochemistry of Reaction Paths as Determined from Crystal Structure Data—A Relationship between Structure and Energy

1975 • 229 citations

Structural aspects of metal ion carboxylate interactions

1988 • 220 citations

Structure of tomato bushy stunt virus IV

1983 • 200 citations

Conformation of [Cd7]-metallothionein-2 from rat liver in aqueous solution determined by nuclear magnetic resonance spectroscopy

1988 • 192 citations

The structure of manganese superoxide dismutase from Thermus thermophilus HB8 at 2.4-A resolution.

1985 • 192 citations

X-ray analysis of D-xylose isomerase at 1.9 A: native enzyme in complex with substrate and with a mechanism-designed inactivator.

1989 • 191 citations

A tetrahedral zinc(II)-binding site introduced into a designed protein

1990 • 188 citations

Structure and refinement at 1.8 Å resolution of the aspartic proteinase from Rhizopus chinensis

1987 • 186 citations

Hemes and hemoproteins

1986 • 184 citations

Citrate conformation and chelation: enzymic implications

1980 • 180 citations

Crystallographic refinement of rubredoxin at 1·2 Å resolution

1980 • 178 citations

Fundamental Principles

2017 • 177 citations

Manganese and calcium binding sites of concanavalin A

1982 • 174 citations

Structure of bovine trypsinogen at 1.9 Å resolution

1977 • 174 citations

Binuclear iron complexes in methemerythrin and azidomethemerythrin at 2.0-.ANG. resolution

1984 • 174 citations

Hemoglobin tertiary structural change on ligand binding its role in the co-operative mechanism

1983 • 173 citations

On the importance of orientation in general base catalysis by carboxylate

1981 • 172 citations

Structure of rubredoxin: An X-ray study to 2.5 Å resolution

1970 • 167 citations

Structure of S. platensis [2Fe-2S] ferredoxin and evolution of chloroplast-type ferredoxins

1980 • 164 citations

Structure of Peptococcus aerogenes ferredoxin. Refinement at 2 A resolution.

1976 • 163 citations

Three-dimensional Fourier Synthesis of Horse Oxyhaemoglobin at 2.8 Å Resolution : (I) X-ray Analysis

1968 • 159 citations

Three-dimensional structure of catalase from Penicillium vitale at 2.0 Å resolution

1986 • 158 citations

Manganese and iron superoxide dismutases are structural homologs.

1984 • 154 citations

Crystal structure of cytochrome c peroxidase compound I

1987 • 148 citations

Blue copper proteins. The copper site in azurin from Alcaligenes denitrificans

1986 • 144 citations

Structure of azurin from Alcaligenes denitrificans at 2·5 Å resolution

1983 • 138 citations

Gene Triplication deduced from the Tertiary Structure of a Muscle Calcium Binding Protein

1972 • 129 citations

High-resolution three-dimensional structure of a single zinc finger from a human enhancer binding protein in solution

1990 • 128 citations

Copper coordination geometry in azurin undergoes minimal change on reduction of copper(II) to copper(I)

1990 • 127 citations

Structure determination of Panulirus interruptus haemocyanin at 3.2 Å resolution

1986 • 122 citations

The geometry of calcium carboxylate interactions in crystalline complexes

1981 • 121 citations

Convergent functional groups: synthetic and structural studies

1985 • 120 citations

Preferred orientation of imidazole ligands in metalloporphyrins

1986 • 120 citations

The crystal structure of copper sulphate pentahydrate, CuSO ₄ .5H ₂ O

1934 • 116 citations

Rubredoxin from Desulfovibrio gigas

1987 • 112 citations

Structure of satellite tobacco necrosis virus after crystallographic refinement at 2.5 Å resolution

1984 • 111 citations

Crystal chemical studies of the 5f-series of elements. XXIII. On the crystal chemistry of uranyl compounds and of related compounds of transuranic elements

1954 • 110 citations

Structures of d-xylose isomerase from Arthrobacter strain B3728 containing the inhibitors xylitol and d-sorbitol at 2.5 Å and 2.3 Å resolution, respectively

1989 • 109 citations

Calcium(II) site specificity: effect of size and charge on metal ion binding to an EF-hand-like site

1990 • 109 citations

Crystallographic structure refinement of Chromatium high potential iron protein at two Angstroms resolution.

1975 • 104 citations

Recent developments in the bond valence model of inorganic bonding

1987 • 102 citations

A Set of Empirical Crystal Radii for Ions with Inert Gas Configuration

1931 • 99 citations

X-ray crystal structure of D-xylose isomerase at 4-A resolution.

1984 • 96 citations

pH-dependent migration of copper(II) to the vacant zinc-binding site of zinc-free bovine erythrocyte superoxide dismutase

1979 • 96 citations

New stereochemical analogies between iron-sulfur electron transport proteins.

1977 • 94 citations

The heme and Fe4S4 cluster in the crystallographic structure of Escherichia coli sulfite reductase.

1986 • 93 citations

Regulation of serine protease activity by an engineered metal switch

1990 • 91 citations

Electronegativity and Lewis acid strength

1990 • 90 citations

Distances of electron transfer to and from metalloprotein redox sites in reactions with inorganic complexes

1980 • 90 citations

Beitrag zur Konstitution anorganischer Verbindungen

1899 • 90 citations

Chemical reaction paths. V. SN1 reaction of tetrahedral molecules

1975 • 89 citations

Structure of the binuclear iron complex in metazidohaemerythrin from Themiste dyscritum at 2.2. Å resolution

1981 • 86 citations

Inorganic Compounds with Unusual Properties

1976 • 86 citations

A comparison of the structures of electron transfer proteins

1979 • 82 citations

Interaction of pyruvate with pyruvate carboxylase and pyruvate kinase as studied by paramagnetic effects on carbon-13 relaxation rates

1973 • 82 citations

Refined crystal structure of calcium-liganded carp parvalbumin 4.25 at 1.5-.ANG. resolution

1990 • 81 citations

Crystal Versus Solution Structures of Enzymes: NMR Spectroscopy of a Crystalline Serine Protease

1989 • 80 citations

X-ray crystal analysis of the substrates of aconitase. V. Magnesium citrate decahydrate [Mg(H₂O)₆][MgC₆H₅O₇(H₂O)]₂.2H₂O

1965 • 77 citations

9 Metals in Enzyme Catalsis

1970 • 76 citations

Quaternary and tertiary structure of haemerythrin

1975 • 73 citations

Crystal Structure of Human Erythrocyte Carbonic Anhydrase C. VI. The Three-dimensional Structure at High Resolution in Relation to Other Mammalian Carbonic Anhydrases

1972 • 70 citations

Determination and analysis of the formic acid conformational hypersurface

1979 • 70 citations

Aspartic and Glutamic Acid as Ligands to Alkali and Alkaline‐Earth Metals: Structural Chemistry as Related to Magnesium Therapy

1990 • 70 citations

The water molecules in CuSO ₄ .5H ₂ O

1962 • 70 citations

Role of magnesium and other divalent cations in ATP-utilizing enzymes.

1987 • 69 citations

A structural model of rubredoxin from Desulfovibrio vulgaris at 2 Å resolution

1977 • 68 citations

Hexaamminecobalt(III) chloride

1978 • 66 citations

The General, Selective, and Specific Formation of Complexes by Metallic Cations

1961 • 65 citations

Model compounds for metal–protein interaction: crystal structure of three platinum(<scp>II</scp>) complexes of<scp>L</scp>- and<scp>DL</scp>-methionine and glycyl-<scp>L</scp>-methionine

1970 • 64 citations

Iron-sulphur clusters in natural and synthetic systems

1975 • 59 citations

Electron transfer in biology and the solid state

1991 • 58 citations

The geometry of calcium–water interactions in crystalline hydrates

1980 • 56 citations

PtCl42−: A methionine-specific label for protein crystallography

1969 • 56 citations

The 3.0 Å crystal structure of xylose isomerase from Streptomyces olivochromogenes

1987 • 53 citations

The refinement of southern bean mosaic virus in reciprocal space

1985 • 51 citations

Bio‐inorganic chemistry

1985 • 50 citations

Agaricus bisporus metapotyrosinase: preparation, characterization, and conversion to mixed-metal derivatives of the binuclear site

1990 • 50 citations

Structural analysis of the 2.8 Å model of xylose isomerase from Actinoplanes missouriensis

1988 • 50 citations

Systematics in the interaction of metal ions with the main-chain carbonyl group in protein structures

1990 • 47 citations

A neutron diffraction analysis of the crystal structure of tetragonal nickel sulphate hexadeuterate

1966 • 46 citations

Structure of trimeric haemerythrin

1983 • 46 citations

Dynamic processes in crystals examined through difference vibrational parameters ΔU: the low-spin–high-spin transition in tris(dithiocarbamato)iron(III) complexes

1984 • 46 citations

On the crystal chemistry of salt hydrates. V. The determination of the crystal structure of CuSO4.3H2O (bonattite)

1968 • 42 citations

Crystal structures of the active site in specifically metal-depleted and cobalt-substituted horse liver alcohol dehydrogenase derivatives.

1983 • 41 citations

Trans effect in octahedral complexes. 3. Comparison of kinetic and structural trans effects induced by coordinated sulfur in sulfito- and sulfinatopentaaminecobalt(III) complexes

1978 • 39 citations

Structure and conformation of two coprogen-type siderophores. Neocoprogen I and neocoprogen II

1987 • 37 citations

Single crystals of cadmium, zinc metallothionein.

1983 • 36 citations

Structures of two forms of sodium acetate, Na+.C2H3O2−

1983 • 35 citations

THE CRYSTAL STRUCTURE OF AMMONIUM CHLOROPLATINATE.

1921 • 35 citations

The structure of thallium(I) tetraacetatothallate(III): when is the lone pair of electrons on TI^I stereoactive?

1980 • 32 citations

N ? -Dimethylcoprogens Three novel trihydroxamate siderophores from pathogenic fungi

1988 • 30 citations

Convergent functional groups provide a measure of stereoelectronic effects at carboxyl oxygen

1986 • 30 citations

Structural trans effect in sulfur bound sulfitopentaaminecobalt(III) chloride monohydrate

1974 • 30 citations

Proton NMR study of rabbit skeletal muscle troponin C: magnesium-induced conformational change

1990 • 28 citations

An empirical potential function for metal centers: Application to molecular mechanics calculations on metalloproteins

1986 • 28 citations

A synthetic tetranuclear iron-sulfur complex with ionized side chains: the crystal structure of (Fe4S4(S(CH2)2COO)4)6-.(Na5.N(C4H9)4)6+.5C5H9NO

1977 • 28 citations

Electron paramagnetic resonance studies of the coordination schemes and site selectivities for divalent metal ions in complexes with pyruvate kinase

1990 • 26 citations

Reaction pathways from structural data: dynamic stereochemistry of zinc(II) compounds

1984 • 26 citations

Manganous citrate decahydrate

1973 • 26 citations

A structural model for Lewis acids and bases. An analysis of the structural chemistry of the acetate and trifluoroacetate ions

1980 • 20 citations

The crystal structure of bis(histidino)cadmium dihydrate

1967 • 20 citations

Mapping the atomic environment of functional groups: turning 3D scatter plots into pseudo-density contours

1984 • 18 citations

A comparative assessment of the zinc–protein coordination in 2Zn–insulin as determined by X-ray absorption fine structure (EXAFS) and X-ray crystallography

1983 • 17 citations

Electron transfer in biology and the solid state inorganic compounds with unusual properties

1993 • 14 citations

Ernst Klenk lecture, November 1989. The complexities of intracellular Ca2+ signalling.

1990 • 12 citations

Evidence from x-ray absorption fine structure spectroscopy for significant differences in the structure of concanavalin A in solution and in the crystal

1990 • 11 citations

Metalloprotein Crystallography

1988 • 11 citations

Preferred geometry of cation-amide bonding. Crystal structures of [Mg(NMA)2(H2O)4](NO3)2 and Ca(NO3)2.4NMA (NMA = N-methylacetamide)

1986 • 11 citations

Structural studies on the active site of Escherichia coli RNA polymerase. 1. Interaction of metals on the i and i + 1 sites

1990 • 10 citations

Radioprotectant sodium fluoroacetate

1977 • 10 citations

Preliminary X-ray diffraction studies on a [4Fe4S] ferredoxin from Bacillus thermoproteolyticus

1981 • 9 citations

Metalloprotein Crystallography Survey of Recent Results and Relationships to Model Studies

1988 • 6 citations

Molecular models constructed in an easy way: Part 1. Models of tetrahedron, trigonal bipyramid, octahedron, pentagonal bipyramid, and capped octahedron

1990 • 5 citations

Ligand

1983 • 4 citations

Aluminium: when is it like silicon?

1981 • 2 citations

Deleted Work

1955 • 0 citations