-
1
-
-
0037899473
-
12-dependent mutases
-
12-dependent mutases, Chem. Rev. 103, 2083-2094.
-
(2003)
Chem. Rev.
, vol.103
, pp. 2083-2094
-
-
Banerjee, R.1
-
2
-
-
0034912671
-
Radical mechanisms of enzymatic catalysis
-
Frey, P. A. (2001) Radical mechanisms of enzymatic catalysis, Annu. Rev. Biochem. 70, 121-148.
-
(2001)
Annu. Rev. Biochem.
, vol.70
, pp. 121-148
-
-
Frey, P.A.1
-
4
-
-
0033849103
-
12-dependent glutamate mutase
-
12-dependent glutamate mutase, Bioorg. Chem. 28, 176-189.
-
(2000)
Bioorg. Chem.
, vol.28
, pp. 176-189
-
-
Marsh, E.N.G.1
-
5
-
-
0035478124
-
Adenosylcobalamin-dependent isomerases: New insights into structure and mechanism
-
Marsh, E. N. G., and Drennan, C. L. (2001) Adenosylcobalamin-dependent isomerases: New insights into structure and mechanism, Curr. Opin. Chem. Biol. 5, 499-505.
-
(2001)
Curr. Opin. Chem. Biol.
, vol.5
, pp. 499-505
-
-
Marsh, E.N.G.1
Drennan, C.L.2
-
6
-
-
0037560995
-
12-dependent isomerization (eliminating) reactions
-
12-dependent isomerization (eliminating) reactions, Chem. Rev. 103, 2095-2127.
-
(2003)
Chem. Rev.
, vol.103
, pp. 2095-2127
-
-
Toraya, T.1
-
7
-
-
0000775966
-
The glutamate mutase system
-
Barker, H. A., Rooze, V., Suzuki, F., and Iodice, A. A. (1964) The glutamate mutase system, J. Biol. Chem. 239, 3260-3266.
-
(1964)
J. Biol. Chem.
, vol.239
, pp. 3260-3266
-
-
Barker, H.A.1
Rooze, V.2
Suzuki, F.3
Iodice, A.A.4
-
8
-
-
0034326618
-
Mechanism of glutamate mutase: Identification and kinetic competence of acrylate and glycyl radical as intermediates in the rearrangement of glutamate to methylaspartate
-
Chih, H. W., and Marsh, E. N. G. (2000) Mechanism of glutamate mutase: Identification and kinetic competence of acrylate and glycyl radical as intermediates in the rearrangement of glutamate to methylaspartate, J. Am. Chem. Soc. 122, 10732-10733.
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 10732-10733
-
-
Chih, H.W.1
Marsh, E.N.G.2
-
9
-
-
0001462145
-
12-dependent glutamate mutase from Clostridium cochlearium
-
12-dependent glutamate mutase from Clostridium cochlearium, Biochemistry 37, 4105-4113.
-
(1998)
Biochemistry
, vol.37
, pp. 4105-4113
-
-
Bothe, H.1
Darley, D.J.2
Albracht, S.P.J.3
Gerfen, G.J.4
Golding, B.T.5
Buckel, W.6
-
12
-
-
33845373586
-
Thermolysis of the Co-C bond of adenosylcobalamin. 2. Products, kinetics, and Co-C bond dissociation energy in aqueous solution
-
Hay, B. P., and Finke, R. G. (1986) Thermolysis of the Co-C bond of adenosylcobalamin. 2. Products, kinetics, and Co-C bond dissociation energy in aqueous solution, J. Am. Chem. Soc. 108, 4820-4829.
-
(1986)
J. Am. Chem. Soc.
, vol.108
, pp. 4820-4829
-
-
Hay, B.P.1
Finke, R.G.2
-
13
-
-
0032566325
-
Coupling of cobalt-carbon bond homolysis and hydrogen atom abstraction in adenosylcobalamin-dependent glutamate mutase
-
Marsh, E. N. G., and Ballou, D. P. (1998) Coupling of cobalt-carbon bond homolysis and hydrogen atom abstraction in adenosylcobalamin-dependent glutamate mutase, Biochemistry 37, 11864-11872.
-
(1998)
Biochemistry
, vol.37
, pp. 11864-11872
-
-
Marsh, E.N.G.1
Ballou, D.P.2
-
14
-
-
0033566661
-
12-dependent enzyme provides new mechanistic insights
-
12-dependent enzyme provides new mechanistic insights, Struct. Fold. Des. 7, 891-902.
-
(1999)
Struct. Fold. Des.
, vol.7
, pp. 891-902
-
-
Reitzer, R.1
Gruber, K.2
Jogl, G.3
Wagner, U.G.4
Bothe, H.5
Buckel, W.6
Kratky, C.7
-
17
-
-
0033596289
-
12-dependent enzymes glutamate mutase and 2-methyleneglutarate mutase
-
12-dependent enzymes glutamate mutase and 2-methyleneglutarate mutase, J. Am. Chem. Soc. 121, 11780-11789.
-
(1999)
J. Am. Chem. Soc.
, vol.121
, pp. 11780-11789
-
-
Champloy, F.1
Jogl, G.2
Reitzer, R.3
Buckel, W.4
Bothe, H.5
Beatrix, B.6
Broeker, G.7
Michalowicz, A.8
Meyer-Klaucke, W.9
Kratky, C.10
-
19
-
-
0035310673
-
Protein-coenzyme interactions in adenosylcobalamin-dependent glutamate mutase
-
Huhta, M. S., Chen, H.-P., Hemann, C., Hille, C. R., and Marsh, E. N. G. (2001) Protein-coenzyme interactions in adenosylcobalamin-dependent glutamate mutase, Biochem. J. 355, 131-137.
-
(2001)
Biochem. J.
, vol.355
, pp. 131-137
-
-
Huhta, M.S.1
Chen, H.-P.2
Hemann, C.3
Hille, C.R.4
Marsh, E.N.G.5
-
20
-
-
0033604871
-
Studies on the catalysis of carbon-cobalt bond homolysis by ribonucleoside triphosphate reductase: Evidence for concerted carbon-cobalt bond homolysis and thiyl radical formation
-
Licht, S., Booker, S., and Stubbe, J. (1999) Studies on the catalysis of carbon-cobalt bond homolysis by ribonucleoside triphosphate reductase: Evidence for concerted carbon-cobalt bond homolysis and thiyl radical formation, Biochemistry 38, 1221-1233.
-
(1999)
Biochemistry
, vol.38
, pp. 1221-1233
-
-
Licht, S.1
Booker, S.2
Stubbe, J.3
-
25
-
-
0023049434
-
On the steric course of the adenosylcobalamin-dependent 2-methyleneglutarate mutase reaction in clostridium-barkeri
-
Hartrampf, G., and Buckel, W. (1986) On the steric course of the adenosylcobalamin-dependent 2-methyleneglutarate mutase reaction in clostridium-barkeri, Eur. J. Biochem. 156, 301-304.
-
(1986)
Eur. J. Biochem.
, vol.156
, pp. 301-304
-
-
Hartrampf, G.1
Buckel, W.2
-
26
-
-
0033929687
-
Reduction of cob(III)alamin to cob(II)alamin in Salmonella enterica serovar typhimurium LT2
-
Fonseca, M. V., and Escalante-Semerena, J. C. (2000) Reduction of cob(III)alamin to cob(II)alamin in Salmonella enterica serovar typhimurium LT2, J. Bacteriol. 182, 4304-4309.
-
(2000)
J. Bacteriol.
, vol.182
, pp. 4304-4309
-
-
Fonseca, M.V.1
Escalante-Semerena, J.C.2
-
27
-
-
0035943679
-
An in vitro reducing system for the enzymic conversion of cobalamin to adenosylcobalamin
-
Fonseca, M. V., and Escalante-Semerena, J. C. (2001) An in vitro reducing system for the enzymic conversion of cobalamin to adenosylcobalamin, J. Biol. Chem. 276, 32101-32108.
-
(2001)
J. Biol. Chem.
, vol.276
, pp. 32101-32108
-
-
Fonseca, M.V.1
Escalante-Semerena, J.C.2
-
28
-
-
0342601068
-
Adenosylcobalamin-dependent glutamate mutase: Examination of substrate and coenzyme binding in an engineered fusion protein possessing simplified subunit structure and kinetic properties
-
Chen, H. P., and Marsh, E. N. G. (1997) Adenosylcobalamin-dependent glutamate mutase: Examination of substrate and coenzyme binding in an engineered fusion protein possessing simplified subunit structure and kinetic properties, Biochemistry 36, 14939-14945.
-
(1997)
Biochemistry
, vol.36
, pp. 14939-14945
-
-
Chen, H.P.1
Marsh, E.N.G.2
-
29
-
-
27944465555
-
-
Ph.D. Thesis, University of Michigan, Ann Arbor, MI
-
Cheng, M.-C. Mechanistic studies of adenosylcobalamin homolysis in glutamate mutase, Ph.D. Thesis, University of Michigan, Ann Arbor, MI, 2004.
-
(2004)
Mechanistic Studies of Adenosylcobalamin Homolysis in Glutamate Mutase
-
-
Cheng, M.-C.1
-
30
-
-
0034702779
-
Rearrangement of L-2-hydroxyglutarate to L-threo-3-methylmalate catalyzed by adenosylcobalamin-dependent glutamate mutase
-
Roymoulik, I., Moon, N., Dunham, W. R., Ballou, D. P., and Marsh, E. N. G. (2000) Rearrangement of L-2-hydroxyglutarate to L-threo-3-methylmalate catalyzed by adenosylcobalamin-dependent glutamate mutase, Biochemistry 39, 10340-10346.
-
(2000)
Biochemistry
, vol.39
, pp. 10340-10346
-
-
Roymoulik, I.1
Moon, N.2
Dunham, W.R.3
Ballou, D.P.4
Marsh, E.N.G.5
-
31
-
-
0003489813
-
-
De Gruyter, New York
-
12: Chemistry, Biochemistry, Nutrition, Ecology, and Medicine, De Gruyter, New York.
-
(1987)
12: Chemistry, Biochemistry, Nutrition, Ecology, and Medicine
-
-
Schneider, Z.1
Stroinski, A.2
-
32
-
-
0034709867
-
Similarities and differences between cobalamins and cobaloximes. Accurate structural determination of methylcobalamin and of LiCl- and KCl-containing cyanocobalamins by synchrotron radiation
-
Randaccio, L., Furlan, M., Geremia, S., Slouf, M., Srnova, I., and Toffoli, D. (2000) Similarities and differences between cobalamins and cobaloximes. Accurate structural determination of methylcobalamin and of LiCl- and KCl-containing cyanocobalamins by synchrotron radiation, Inorg. Chem. 39, 3403-3413.
-
(2000)
Inorg. Chem.
, vol.39
, pp. 3403-3413
-
-
Randaccio, L.1
Furlan, M.2
Geremia, S.3
Slouf, M.4
Srnova, I.5
Toffoli, D.6
-
34
-
-
0037123803
-
The axial N-base has minor influence on the Co-C bond cleavage in cobalamins
-
Jensen, K. P., and Ryde, U. (2002) The axial N-base has minor influence on the Co-C bond cleavage in cobalamins, Theochem 585, 239-255.
-
(2002)
Theochem
, vol.585
, pp. 239-255
-
-
Jensen, K.P.1
Ryde, U.2
-
35
-
-
6344276960
-
Structure-energy relations in methylcobalamin with and without bound axial base
-
Rovira, C., Biarnés, X., and Kunc, K. (2004) Structure-energy relations in methylcobalamin with and without bound axial base, Inorg. Chem. 43, 6628-6632.
-
(2004)
Inorg. Chem.
, vol.43
, pp. 6628-6632
-
-
Rovira, C.1
Biarnés, X.2
Kunc, K.3
-
36
-
-
0032221816
-
Towards an order-N DFT method
-
Guerra, C. F., Snijders, J. G., te Velde, G., and Baerends, E. J. (1998) Towards an order-N DFT method, Theor. Chem. Acc. 99, 391-403.
-
(1998)
Theor. Chem. Acc.
, vol.99
, pp. 391-403
-
-
Guerra, C.F.1
Snijders, J.G.2
Te Velde, G.3
Baerends, E.J.4
-
37
-
-
20644438873
-
Chemistry with ADF
-
te Velde, G., Bickelhaupt, F. M., van Gisbergen, S. J. A., Guerra, C. F., Baerends, E. J., Snijders, J. G., and Ziegler, T. (2001) Chemistry with ADF, J. Comput. Chem. 22, 931-967.
-
(2001)
J. Comput. Chem.
, vol.22
, pp. 931-967
-
-
Te Velde, G.1
Bickelhaupt, F.M.2
Van Gisbergen, S.J.A.3
Guerra, C.F.4
Baerends, E.J.5
Snijders, J.G.6
Ziegler, T.7
-
38
-
-
0004066445
-
-
Vrije Universiteit, Amsterdam, The Netherlands
-
ADF2002.03, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands, http://www.scm.com.
-
Theoretical Chemistry
-
-
-
39
-
-
0000216001
-
Accurate spin-dependent electron liquid correlation energies for local spin density calculations: A critical analysis
-
Vosko, S. H., Wilk, L., and Nusair, M. (1980) Accurate spin-dependent electron liquid correlation energies for local spin density calculations: A critical analysis, Can. J. Phys. 58, 1200-1211.
-
(1980)
Can. J. Phys.
, vol.58
, pp. 1200-1211
-
-
Vosko, S.H.1
Wilk, L.2
Nusair, M.3
-
40
-
-
0039892284
-
Density functional calculations of molecular bond energies
-
Becke, A. D. (1986) Density functional calculations of molecular bond energies, J. Chem. Phys. 84, 4524-4529.
-
(1986)
J. Chem. Phys.
, vol.84
, pp. 4524-4529
-
-
Becke, A.D.1
-
41
-
-
5944261746
-
Density functional approximation for the correlation energy of the inhomogeneous electron gas
-
Perdew, J. P. (1986) Density functional approximation for the correlation energy of the inhomogeneous electron gas, Phys. Rev. B 33, 8822-8824.
-
(1986)
Phys. Rev. B
, vol.33
, pp. 8822-8824
-
-
Perdew, J.P.1
-
42
-
-
0003984036
-
-
Max-Planck-Institut für Bioanorganische Chemie: Mülheim an der Ruhr, Germany
-
Neese, F. ORCA, version 2.2, an ab initio, density functional, and semiempirical program package, Max-Planck-Institut für Bioanorganische Chemie: Mülheim an der Ruhr, Germany, 2001.
-
(2001)
ORCA, Version 2.2, An Ab Initio, Density Functional, and Semiempirical Program Package
-
-
Neese, F.1
-
43
-
-
27944468529
-
-
unpublished results
-
Ahlrichs, R., and co-workers, unpublished results.
-
-
-
Ahlrichs, R.1
-
44
-
-
26344435738
-
Fully optimized contracted Gaussian-basis sets for atoms Li to Kr
-
Schäfer, A., Horn, H., and Ahlrichs, R. (1992) Fully optimized contracted Gaussian-basis sets for atoms Li to Kr, J. Chem. Phys. 97, 2571-2577.
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 2571-2577
-
-
Schäfer, A.1
Horn, H.2
Ahlrichs, R.3
-
45
-
-
0031285839
-
RI-MP2: First derivatives and global consistency
-
The Ahlrichs auxiliary basis sets were obtained from the Turbo-Mole basis set library under ftp.chemie.uni-karlsruhe.de/pub/cbasen. Weigend, F., and Häser, M. (1997) RI-MP2: First derivatives and global consistency, Theor. Chem. Acc. 97, 331-340.
-
(1997)
Theor. Chem. Acc.
, vol.97
, pp. 331-340
-
-
Weigend, F.1
Häser, M.2
-
46
-
-
0039209924
-
Fully optimized contracted Gaussian-basis sets of triple ζ valence quality for atoms Li to Kr
-
Schäfer, A., Huber, C., and Ahlrichs, R. (1994) Fully optimized contracted Gaussian-basis sets of triple ζ valence quality for atoms Li to Kr, J. Chem. Phys. 100, 5829-5835.
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 5829-5835
-
-
Schäfer, A.1
Huber, C.2
Ahlrichs, R.3
-
47
-
-
0000189651
-
Density-functional thermochemistry. 3. The role of exact exchange
-
Becke, A. D. (1993) Density-functional thermochemistry. 3. The role of exact exchange, J. Chem. Phys. 98, 5648-5652.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648-5652
-
-
Becke, A.D.1
-
48
-
-
34250817103
-
A new mixing of Hartree-Fock and local density-functional theories
-
Becke, A. D. (1993) A new mixing of Hartree-Fock and local density-functional theories, J. Chem. Phys. 98, 1372-1377.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 1372-1377
-
-
Becke, A.D.1
-
49
-
-
0345491105
-
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
-
Lee, C. T., Yang, W. T., and Parr, R. G. (1988) Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density, Phys. Rev. B 37, 785-789.
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785-789
-
-
Lee, C.T.1
Yang, W.T.2
Parr, R.G.3
-
51
-
-
0000287603
-
Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: Characterization and correction of the time-dependent local density approximation ionization threshold
-
Casida, M. E., Jamorski, C., Casida, K. C., and Salahub, D. R. (1998) Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: Characterization and correction of the time-dependent local density approximation ionization threshold, J. Chem. Phys. 108, 4439-4449.
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 4439-4449
-
-
Casida, M.E.1
Jamorski, C.2
Casida, K.C.3
Salahub, D.R.4
-
52
-
-
0032533083
-
An efficient implementation of time-dependent density-functional theory for the calculation of excitation energies of large molecules
-
Stratman, R. E., Scuseria, G. E., and Frisch, M. J. (1998) An efficient implementation of time-dependent density-functional theory for the calculation of excitation energies of large molecules, J. Chem. Phys. 109, 8218-8224.
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 8218-8224
-
-
Stratman, R.E.1
Scuseria, G.E.2
Frisch, M.J.3
-
53
-
-
0000136207
-
Time-dependent density functional theory for radicals-An improved description of excited states with substantial double excitation character
-
Hirata, S., and Head-Gordon, M. (1999) Time-dependent density functional theory for radicals-An improved description of excited states with substantial double excitation character, Chem. Phys. Lett. 302, 375-382.
-
(1999)
Chem. Phys. Lett.
, vol.302
, pp. 375-382
-
-
Hirata, S.1
Head-Gordon, M.2
-
54
-
-
0001260561
-
Time-dependent density functional theory within the Tamm-Dancoff approximation
-
Hirata, S., and Head-Gordon, M. (1999) Time-dependent density functional theory within the Tamm-Dancoff approximation, Chem. Phys. Lett. 314, 291-299.
-
(1999)
Chem. Phys. Lett.
, vol.314
, pp. 291-299
-
-
Hirata, S.1
Head-Gordon, M.2
-
55
-
-
0037072217
-
Efficient use of the resolution of the identity approximation in time-dependent density functional calculations with hybrid density functionals
-
Neese, F., and Olbrich, G. (2002) Efficient use of the resolution of the identity approximation in time-dependent density functional calculations with hybrid density functionals, Chem. Phys. Lett. 362, 170-178.
-
(2002)
Chem. Phys. Lett.
, vol.362
, pp. 170-178
-
-
Neese, F.1
Olbrich, G.2
-
60
-
-
0034646260
-
The solution structure of adenosylcobalamin and adenosylcobinamide determined by NOE-restrained molecular dynamics simulations
-
Marques, H. M., Zou, X., and Brown, K. L. (2000) The solution structure of adenosylcobalamin and adenosylcobinamide determined by NOE-restrained molecular dynamics simulations, J. Mol. Struct. 520, 75-95.
-
(2000)
J. Mol. Struct.
, vol.520
, pp. 75-95
-
-
Marques, H.M.1
Zou, X.2
Brown, K.L.3
-
61
-
-
0036168092
-
Molecular mechanics and molecular dynamics simulations of porphyrins, metalloporphyrins, heme proteins, and cobalt corrinoids
-
Marques, H. M., and Brown, K. L. (2002) Molecular mechanics and molecular dynamics simulations of porphyrins, metalloporphyrins, heme proteins, and cobalt corrinoids, Coord. Chem. Rev. 225, 123-158.
-
(2002)
Coord. Chem. Rev.
, vol.225
, pp. 123-158
-
-
Marques, H.M.1
Brown, K.L.2
-
62
-
-
84986804777
-
Resonance Raman scattering and vibronic coupling in aquo- and cyanocobalamin
-
Galluzzi, F., Garozzo, M., and Ricci, F. F. (1974) Resonance Raman scattering and vibronic coupling in aquo- and cyanocobalamin, J. Raman Spectrosc. 2, 351-362.
-
(1974)
J. Raman Spectrosc.
, vol.2
, pp. 351-362
-
-
Galluzzi, F.1
Garozzo, M.2
Ricci, F.F.3
-
64
-
-
0033550062
-
Pre-steady-state kinetic investigation of intermediates in the reaction catalyzed by adenosylcobalamin-dependent glutamate mutase
-
Chih, H. W., and Marsh, E. N. G. (1999) Pre-steady-state kinetic investigation of intermediates in the reaction catalyzed by adenosylcobalamin- dependent glutamate mutase, Biochemistry 38, 13684-13691.
-
(1999)
Biochemistry
, vol.38
, pp. 13684-13691
-
-
Chih, H.W.1
Marsh, E.N.G.2
-
65
-
-
33847802786
-
Mechanism of cobalamin-dependent rearrangements
-
Babior, B. M. (1975) Mechanism of cobalamin-dependent rearrangements, Acc. Chem. Res. 8, 376-384.
-
(1975)
Acc. Chem. Res.
, vol.8
, pp. 376-384
-
-
Babior, B.M.1
-
66
-
-
0022430394
-
12-dependent rearrangements
-
12-dependent rearrangements, Science 227, 869-875.
-
(1985)
Science
, vol.227
, pp. 869-875
-
-
Halpern, J.1
-
67
-
-
0033594923
-
Crystal structure of substrate complexes of methylmalonyl-CoA mutase
-
Mancia, F., Smith, G. A., and Evans, P. R. (1999) Crystal structure of substrate complexes of methylmalonyl-CoA mutase, Biochemistry 38, 7999-8005.
-
(1999)
Biochemistry
, vol.38
, pp. 7999-8005
-
-
Mancia, F.1
Smith, G.A.2
Evans, P.R.3
-
68
-
-
21344463602
-
12 enzymes: A theoretical study
-
ax bond lengths of 2.09 and 2.49 Å, respectively, are inconsistent with our spectroscopic data, suggesting that this state is poorly described computationally. Consequently, the accuracy of the computed contributions to the enzymatic reduction in bond dissociation energy is somewhat questionable.
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 9117-9128
-
-
Jensen, K.P.1
Ryde, U.2
|