Models for protein–zinc ion binding sites. II. The catalytic sites*
暂无分享,去创建一个
[1] Nohad Gresh,et al. Parallel ab initio and molecular mechanics investigation of polycoordinated Zn(II) complexes with model hard and soft ligands: Variations of binding energy and of its components with number and charges of ligands , 2000, J. Comput. Chem..
[2] A. Rashin,et al. On the structure and thermodynamics of solvated monoatomic ions using a hybrid solvation model , 1999 .
[3] Yuan-Ping Pang,et al. Ab Initio Calculations of Proton Dissociation Energies of Zinc Ligands: Hypothesis of Imidazolate as Zinc Ligand in Proteins , 1999 .
[4] W. Rudolph,et al. Zinc(II) Hydration in Aqueous Solution: A Raman Spectroscopic Investigation and An ab initio Molecular Orbital Study of Zinc(II) Water Clusters , 1999 .
[5] R. Wolfenden,et al. Cytidine deaminases from B. subtilis and E. coli: compensating effects of changing zinc coordination and quaternary structure. , 1999, Biochemistry.
[6] Charles W. Bock,et al. Manganese as a Replacement for Magnesium and Zinc: Functional Comparison of the Divalent Ions , 1999 .
[7] C. Fierke,et al. Metal binding specificity in carbonic anhydrase is influenced by conserved hydrophobic core residues. , 1999, Biochemistry.
[8] Chizuru Muguruma. Ab initio MO study on the catalytic mechanism in the active site of carbonic anhydrase , 1999 .
[9] L. Rulíšek,et al. AB INITIO CALCULATIONS OF MONOSUBSTITUTED (CH3OH, CH3SH, NH3) HYDRATED IONS OF ZN2+ AND NI2+ , 1999 .
[10] Manuel F. Ruiz-López,et al. MODELING OF PEPTIDE HYDROLYSIS BY THERMOLYSIN. A SEMIEMPIRICAL AND QM/MM STUDY , 1998 .
[11] B. Kräutler,et al. Bispheric Coordinative Structuring in a Zinc Finger Protein: NMR Analysis of a Point Mutant of the Carboxy-Terminal LIM Domain of Quail Cysteine- and Glycine-Rich Protein CRP2 , 1998 .
[12] C. Carter,et al. Active Species for the Ground-State Complex of Cytidine Deaminase: A Linear-Scaling Quantum Mechanical Investigation , 1998 .
[13] L. Pedersen,et al. Structure and relative acidity for a model zinc finger , 1997 .
[14] J. Rivail,et al. The Hydrolysis Mechanism of Formamide Revisited: Comparison Between ab initio, Semiempirical and DFT Results , 1997 .
[15] Rudi van Eldik,et al. Hydration and Water Exchange of Zinc(II) Ions. Application of Density Functional Theory , 1997 .
[16] R. Wolfenden,et al. The structure of the cytidine deaminase-product complex provides evidence for efficient proton transfer and ground-state destabilization. , 1997, Biochemistry.
[17] K. Morokuma,et al. Molecular orbital study of complexes of zinc(II) with imidazole and water molecules , 1997 .
[18] S. Lindskog. Structure and mechanism of carbonic anhydrase. , 1997, Pharmacology & therapeutics.
[19] William N. Lipscomb,et al. Recent Advances in Zinc Enzymology. , 1996, Chemical reviews.
[20] Rudi van Eldik,et al. Theoretical Study of the Water Exchange Reaction on Divalent Zinc Ion using Density Functional Theory , 1996 .
[21] Z. Dauter,et al. Zinc- and iron-rubredoxins from Clostridium pasteurianum at atomic resolution: a high-precision model of a ZnS4 coordination unit in a protein. , 1996, Proceedings of the National Academy of Sciences of the United States of America.
[22] Carol A. Fierke,et al. Carbonic Anhydrase: Evolution of the Zinc Binding Site by Nature and by Design , 1996 .
[23] R. Meier,et al. Semiempirical AM1 and PM3 studies of the enzymatic mechanism of horse liver alcohol dehydrogenase , 1996 .
[24] J. Berg,et al. The Galvanization of Biology: A Growing Appreciation for the Roles of Zinc , 1996, Science.
[25] R. Wolfenden,et al. Cytidine deaminase complexed to 3-deazacytidine: a "valence buffer" in zinc enzyme catalysis. , 1996, Biochemistry.
[26] L. Furenlid,et al. X-ray absorption spectroscopy study of zinc coordination in tetanus neurotoxin, astacin, alkaline protease and thermolysin. , 1996, European journal of biochemistry.
[27] L. Pedersen,et al. The first solvation shell of magnesium and calcium ions in a model nucleic acid environment: an ab initio study. , 1995, Journal of biomolecular structure & dynamics.
[28] Nohad Gresh,et al. Mono‐ and poly‐ligated complexes of Zn2+: An ab initio analysis of the metal–ligand interaction energy , 1995, J. Comput. Chem..
[29] U. Ryde,et al. On the role of Glu‐68 in alcohol dehydrogenase , 1995, Protein science : a publication of the Protein Society.
[30] R. Wolfenden,et al. Transition-state selectivity for a single hydroxyl group during catalysis by cytidine deaminase. , 1995, Biochemistry.
[31] U. Ryde,et al. Molecular dynamics simulations of alcohol dehydrogenase with a four‐ or five‐coordinate catalytic zinc ion , 1995, Proteins.
[32] C. Carter. The nucleoside deaminases for cytidine and adenosine: structure, transition state stabilization, mechanism, and evolution. , 1995, Biochimie.
[33] Ulf Ryde,et al. The coordination chemistry of the catalytic zinc ion in alcohol dehydrogenase studied by ab initio quantum chemical calculations , 1994 .
[34] A. Klug,et al. Zinc mining for protein domains , 1994, Nature Structural Biology.
[35] J. Rivail,et al. Ab initio Analysis of Water-Assisted Reaction Mechanisms in Amide Hydrolysis , 1994 .
[36] R. Wolfenden,et al. Cytidine deaminase. The 2.3 A crystal structure of an enzyme: transition-state analog complex. , 1994, Journal of molecular biology.
[37] Bert L. Vallee,et al. Zinc: biological functions and coordination motifs , 1993 .
[38] H. Thorp,et al. Bond valence sum analysis of metal-ligand bond lengths in metalloenzymes and model complexes. 2. Refined distances and other enzymes , 1993 .
[39] B. Vallee,et al. Cocatalytic zinc motifs in enzyme catalysis. , 1993, Proceedings of the National Academy of Sciences of the United States of America.
[40] Timothy Clark,et al. Molecular orbital studies of enzyme mechanisms. II. Catalytic oxidation of alcohols by liver alcohol dehydrogenase , 1993, J. Comput. Chem..
[41] F. Emmrich,et al. Cloning of a functional cDNA for human cytidine deaminase (CDD) and its use as a marker of monocyte/macrophage differentiation. , 1993, Biochemical and biophysical research communications.
[42] A. Liljas,et al. Structure of native and apo carbonic anhydrase II and structure of some of its anion-ligand complexes. , 1992, Journal of molecular biology.
[43] I. D. Brown,et al. Chemical and Steric Constraints in Inorganic Solids , 1992 .
[44] R. Huber,et al. Structure of astacin and implications for activation of astacins and zinc-ligation of collagenases , 1992, Nature.
[45] H. Thorp. Bond valence sum analysis of metal-ligand bond lengths in metalloenzymes and model complexes , 1992 .
[46] K. Flaherty,et al. Three-dimensional structure of the elastase of Pseudomonas aeruginosa at 1.5-A resolution. , 1993, The Journal of biological chemistry.
[47] Arieh Warshel,et al. Computer Modeling of Chemical Reactions in Enzymes and Solutions , 1991 .
[48] D. Suck,et al. Crystal structure of Penicillium citrinum P1 nuclease at 2.8 A resolution. , 1991, The EMBO journal.
[49] F A Quiocho,et al. Atomic structure of adenosine deaminase complexed with a transition-state analog: understanding catalysis and immunodeficiency mutations. , 1991, Science.
[50] L. Pedersen,et al. INteraction of calcium and magnesium ions with malonate and the role of the waters of hydration. A quantum mechanical study , 1991 .
[51] E. E. Kim,et al. Reaction mechanism of alkaline phosphatase based on crystal structures. Two-metal ion catalysis. , 1991, Journal of molecular biology.
[52] J. Glusker. Structural aspects of metal liganding to functional groups in proteins. , 1991, Advances in protein chemistry.
[53] B. Vallee,et al. Zinc coordination, function, and structure of zinc enzymes and other proteins. , 1990, Biochemistry.
[54] Angelo Vedani,et al. A new force field for modeling metalloproteins , 1990 .
[55] Marzio Rosi,et al. pKa of zinc-bound water and nucleophilicity of hydroxo-containing species. Ab initio calculations on models for zinc enzymes , 1990 .
[56] Kenneth M. Merz,et al. Mode of action of carbonic anhydrase , 1989 .
[57] R. Wolfenden,et al. Incomplete factorial search for conditions leading to high quality crystals of Escherichia coli cytidine deaminase complexed to a transition state analog inhibitor. , 1989, The Journal of biological chemistry.
[58] Edward Hough,et al. High-resolution (1.5 Å) crystal structure of phospholipase C from Bacillus cereus , 1989, Nature.
[59] L. Pedersen,et al. Salt or ion bridges in biological system: A study employing quantum and molecular mechanics , 1989, Proteins.
[60] H M Holden,et al. The binding of L-valyl-L-tryptophan to crystalline thermolysin illustrates the mode of interaction of a product of peptide hydrolysis. , 1989, The Journal of biological chemistry.
[61] J. Jenkins,et al. Crystal structure of neutral protease from Bacillus cereus refined at 3.0 A resolution and comparison with the homologous but more thermostable enzyme thermolysin. , 1988, Journal of molecular biology.
[62] K. Merz,et al. AM1 parameters for zinc , 1988 .
[63] T A Jones,et al. Refined structure of human carbonic anhydrase II at 2.0 Å resolution , 1988, Proteins.
[64] D. Phillips,et al. An X-ray-crystallographic study of beta-lactamase II from Bacillus cereus at 0.35 nm resolution. , 1987, The Biochemical journal.
[65] L. Pedersen,et al. Relative affinity of Ca(II) and Mg(II) ions for human and bovine prothrombin and fragment 1. , 1987, Biochemical and biophysical research communications.
[66] L. Pedersen,et al. Mg(II) binding by bovine prothrombin fragment 1 via equilibrium dialysis and the relative roles of Mg(II) and Ca(II) in blood coagulation. , 1987, The Journal of biological chemistry.
[67] D. Apirion,et al. Initiation, processing and termination of ribosomal RNA from a hybrid 5 S ribosomal RNA gene in a plasmid. , 1983, Journal of molecular biology.
[68] B. Matthews,et al. Structure of thermolysin refined at 1.6 A resolution. , 1982, Journal of molecular biology.
[69] J. Frère,et al. Structure of a Zn2+-containing D-alanyl-D-alanine-cleaving carboxypeptidase at 2.5 Å resolution , 1982, Nature.
[70] M. Levitt,et al. Theoretical studies of enzymic reactions: dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme. , 1976, Journal of molecular biology.
[71] M F Schmid,et al. Structure of carboxypeptidase B at 2-8 A resolution. , 1976, Journal of molecular biology.
[72] K. Watenpaugh,et al. NH---S hydrogen bonds in Peptococcus aerogenes ferredoxin, Clostridium pasteurianum rubredoxin, and Chromatium high potential iron protein. , 1975, Proceedings of the National Academy of Sciences of the United States of America.
[73] K. Fridborg,et al. Crystal structure of human erythrocyte carbonic anhydrase B. Three-dimensional structure at a nominal 2.2-A resolution. , 1975, Proceedings of the National Academy of Sciences of the United States of America.
[74] I. Brown,et al. Empirical bond-strength–bond-length curves for oxides , 1973 .
[75] B P Schoenborn,et al. Three-dimensional structure of thermolysin. , 1972, Nature: New biology.
[76] A. Fujishima,et al. Electrochemical Photolysis of Water at a Semiconductor Electrode , 1972, Nature.
[77] L Järup,et al. Crystal structure of human carbonic anhydrase C. , 1972, Nature: New biology.
[78] F A Quiocho,et al. Carboxypeptidase A: a protein and an enzyme. , 1971, Advances in protein chemistry.