SCOPUS 정보 검색 플랫폼

Journal of Biological Inorganic Chemistry

Volumn 12, Issue 7, 2007, Pages 989-1001

Density functional theory studies of model complexes for molybdenum-dependent nitrate reductase active sites

(1) Hofmann, Matthias a

a UNIVERSITY OF HEIDELBERG (Germany)

Author keywords

Computational chemistry; Density functional theory; Molybdoenzymes; Nitrate reductase; Substituent effect

Indexed keywords

MOLYBDENUM; NITRATE; NITRATE REDUCTASE; WATER;

ARTICLE; DENSITY FUNCTIONAL THEORY; ENERGY; ENZYME ACTIVE SITE; ESCHERICHIA COLI; HYDROGEN BOND; HYDROPHILICITY; PRIORITY JOURNAL;

BINDING SITES; COMPUTER SIMULATION; LIGANDS; MODELS, BIOLOGICAL; MOLECULAR STRUCTURE; MOLYBDENUM; NITRATE REDUCTASE; QUANTUM THEORY;

ESCHERICHIA COLI;

EID: 34548383454 PISSN: 09498257 EISSN: None Source Type: Journal
DOI: 10.1007/s00775-007-0271-5 Document Type: Article

Times cited : (29)

References (48)

1
- 0036523461
- Stolz JF, Basu P (2002) Chembiochem 3:198-206
- (2002) Chembiochem , vol.3 , pp. 198-206
- Stolz, J.F.¹ Basu, P.²

2
- 0000273676
- Hille R (1996) Chem Rev 96:2757-2816
- (1996) Chem Rev , vol.96 , pp. 2757-2816
- Hille, R.¹

3
- 0036369866
- Kroneck PMH, Abt DJ (2002) Met Ions Biol Syst 39:369-403
- (2002) Met Ions Biol Syst , vol.39 , pp. 369-403
- Kroneck, P.M.H.¹ Abt, D.J.²

4
- 9144223171
- Cabello P, Roldan MD, Moreno-Vivian C (2004) Microbiology 150:3527-3546
- (2004) Microbiology , vol.150 , pp. 3527-3546
- Cabello, P.¹ Roldan, M.D.² Moreno-Vivian, C.³

5
- 0003123613
- Dias JM, Than ME, Humm A, Huber R, Bourenkov GP, Bartunik HD, Bursakov S, Calvete J, Caldeira J, Carneiro C, Moura JJ, Moura I, Romao MJ (1999) Structure 7:65-79
- (1999) Structure , vol.7 , pp. 65-79
- Dias, J.M.¹ Than, M.E.² Humm, A.³ Huber, R.⁴ Bourenkov, G.P.⁵ Bartunik, H.D.⁶ Bursakov, S.⁷ Calvete, J.⁸ Caldeira, J.⁹ Carneiro, C.¹⁰ Moura, J.J.¹¹ Moura, I.¹² Romao, M.J.¹³

6
- 0242490547
- Arnoux P, Sabaty M, Alric J, Frangioni B, Guigliarelli B, Adriano JM, Pignol D (2003) Nat Struct Biol 10:928-934
- (2003) Nat Struct Biol , vol.10 , pp. 928-934
- Arnoux, P.¹ Sabaty, M.² Alric, J.³ Frangioni, B.⁴ Guigliarelli, B.⁵ Adriano, J.M.⁶ Pignol, D.⁷

7
- 8644286154
- Moura JJG, Brondino CD, Trincao J, Romao MJ (2004) J Biol Inorg Chem 9:791-799
- (2004) J Biol Inorg Chem , vol.9 , pp. 791-799
- Moura, J.J.G.¹ Brondino, C.D.² Trincao, J.³ Romao, M.J.⁴

8
- 0041318860
- Bertero MG, Rothery RA, Palak M, Hou C, Lim D, Blasco F, Weiner JH, Strynadka NC (2003) Nat Struct Biol 10:681-687
- (2003) Nat Struct Biol , vol.10 , pp. 681-687
- Bertero, M.G.¹ Rothery, R.A.² Palak, M.³ Hou, C.⁴ Lim, D.⁵ Blasco, F.⁶ Weiner, J.H.⁷ Strynadka, N.C.⁸

9
- 1642370336
- Jormakka M, Richardson D, Byrne B, Iwata S (2004) Structure 12:95-104
- (2004) Structure , vol.12 , pp. 95-104
- Jormakka, M.¹ Richardson, D.² Byrne, B.³ Iwata, S.⁴

10
- 22544435739
- Fischer K, Barbier GG, Hecht HJ, Mendel RR, Campbell WH, Schwarz G (2005) Plant Cell 17:1167-1179
- (2005) Plant Cell , vol.17 , pp. 1167-1179
- Fischer, K.¹ Barbier, G.G.² Hecht, H.J.³ Mendel, R.R.⁴ Campbell, W.H.⁵ Schwarz, G.⁶

11
- 0031927321
- Afshar S, Kim C, Monbouquette HG, Schroeder I (1998) Appl Environ Microbiol 64:3004-3008
- (1998) Appl Environ Microbiol , vol.64 , pp. 3004-3008
- Afshar, S.¹ Kim, C.² Monbouquette, H.G.³ Schroeder, I.⁴

12
- 0034625310
- Stewart LJ, Bailey S, Bennett B, Charnock JM, Garner CD, McAlpine AS (2000) J Mol Biol 299:593-600
- (2000) J Mol Biol , vol.299 , pp. 593-600
- Stewart, L.J.¹ Bailey, S.² Bennett, B.³ Charnock, J.M.⁴ Garner, C.D.⁵ McAlpine, A.S.⁶

13
- 0032933144
- Buc J, Santini CL, Giordani R, Czjzek M, Wu LF, Giordano G (1999) Mol Microbiol 32:159-168
- (1999) Mol Microbiol , vol.32 , pp. 159-168
- Buc, J.¹ Santini, C.L.² Giordani, R.³ Czjzek, M.⁴ Wu, L.F.⁵ Giordano, G.⁶

14
- 0036366046
- Garner CD, Stewart LJ (2002) Met Ions Biol Syst 39:699-726
- (2002) Met Ions Biol Syst , vol.39 , pp. 699-726
- Garner, C.D.¹ Stewart, L.J.²

15
- 1242312523
- Enemark JH, Cooney JJA, Wang JJ, Holm RH (2004) Chem Rev 104:1175-1200
- (2004) Chem Rev , vol.104 , pp. 1175-1200
- Enemark, J.H.¹ Cooney, J.J.A.² Wang, J.J.³ Holm, R.H.⁴

16
- 13844297462
- Jiang J, Holm RH (2005) Inorg Chem 44:1068-1072
- (2005) Inorg Chem , vol.44 , pp. 1068-1072
- Jiang, J.¹ Holm, R.H.²

17
- 33645474282
- Majumdar A, Pal K, Sarkar S (2006) J Am Chem Soc 128:4196-4197
- (2006) J Am Chem Soc , vol.128 , pp. 4196-4197
- Majumdar, A.¹ Pal, K.² Sarkar, S.³

18
- 0001110764
- Thapper A, Deeth RJ, Nordlander E (1999) Inorg Chem 38:1015-1018
- (1999) Inorg Chem , vol.38 , pp. 1015-1018
- Thapper, A.¹ Deeth, R.J.² Nordlander, E.³

19
- 0034805672
- Webster CE, Hall MB (2001) J Am Chem Soc 123:5820-5821
- (2001) J Am Chem Soc , vol.123 , pp. 5820-5821
- Webster, C.E.¹ Hall, M.B.²

20
- 0037121897
- Thapper A, Deeth RJ, Nordlander E (2002) Inorg Chem 41:6695-6702
- (2002) Inorg Chem , vol.41 , pp. 6695-6702
- Thapper, A.¹ Deeth, R.J.² Nordlander, E.³

21
- 84961978367
- Leopoldini M, Russo N, Toscano M, Dulak M, Wesolowski TA (2006) Chem Eur J 12:2532-2541
- (2006) Chem Eur J , vol.12 , pp. 2532-2541
- Leopoldini, M.¹ Russo, N.² Toscano, M.³ Dulak, M.⁴ Wesolowski, T.A.⁵

23
- 0000189651
- Becke AD (1993) J Chem Phys 98:5648-5652
- (1993) J Chem Phys , vol.98 , pp. 5648-5652
- Becke, A.D.¹

24
- 0345491105
- Lee C, Yang W, Parr RG (1988) Phys Rev B 37:785-789
- (1988) Phys Rev B , vol.37 , pp. 785-789
- Lee, C.¹ Yang, W.² Parr, R.G.³

25
- 33745770836
- Hay PJ, Wadt WR (1985) J Chem Phys 82:270-283
- (1985) J Chem Phys , vol.82 , pp. 270-283
- Hay, P.J.¹ Wadt, W.R.²

26
- 0006073669
- Wadt WR, Hay PJ (1985) J Chem Phys 82:284-293
- (1985) J Chem Phys , vol.82 , pp. 284-293
- Wadt, W.R.¹ Hay, P.J.²

27
- 27344448074
- Hay PJ, Wadt WR (1985) J Chem Phys 82:299-310
- (1985) J Chem Phys , vol.82 , pp. 299-310
- Hay, P.J.¹ Wadt, W.R.²

28
- 0001869942
- Schaefer HF III (ed) Plenum, New York
- Dunning TH, Hay PJ (1976) In: Schaefer HF III (ed) Modern theoretical chemistry, vol 3. Plenum, New York, p 1
- (1976) Modern Theoretical Chemistry , vol.3 , pp. 1
- Dunning, T.H.¹ Hay, P.J.²

29
- 0003718311
- Elesevier Amsterdam
- Huzinaga S, Andzelm J, Klobukowski M, Radzio-Andzelm E, Sakai Y, Tatewaki H (1984) Gaussian basis sets for molecular orbital calculations. Elesevier, Amsterdam
- (1984) Gaussian Basis Sets for Molecular Orbital Calculations
- Huzinaga, S.¹ Andzelm, J.² Klobukowski, M.³ Radzio-Andzelm, E.⁴ Sakai, Y.⁵ Tatewaki, H.⁶

30
- 0000704744
- Schmider HL, Becke AD (1998) J Chem Phys 108:9624-9631
- (1998) J Chem Phys , vol.108 , pp. 9624-9631
- Schmider, H.L.¹ Becke, A.D.²

31
- 11744322674
- Andrae D, Haeussermann U, Dolg M, Stoll H, Preuss H (1990) Theor Chim Acta 77:123-141
- (1990) Theor Chim Acta , vol.77 , pp. 123-141
- Andrae, D.¹ Haeussermann, U.² Dolg, M.³ Stoll, H.⁴ Preuss, H.⁵

32
- 0011961091
- Andrae D, Haeussermann U, Dolg M, Stoll H, Preuss H (1991) Theor Chim Acta 78:247-266
- (1991) Theor Chim Acta , vol.78 , pp. 247-266
- Andrae, D.¹ Haeussermann, U.² Dolg, M.³ Stoll, H.⁴ Preuss, H.⁵

33
- 84961985847
- Barone V, Cossi M (1998) J Phys Chem A 102:1995
- (1998) J Phys Chem a , vol.102 , pp. 1995
- Barone, V.¹ Cossi, M.²

34
- 84962349001
- Cossi M, Rega N, Scalmani G, Barone V (2003) J Comp Chem 24:669-681
- (2003) J Comp Chem , vol.24 , pp. 669-681
- Cossi, M.¹ Rega, N.² Scalmani, G.³ Barone, V.⁴

35
- 1042288501
- Kaupp M (2004) Angew Chem Int Ed Engl 43:546-549
- (2004) Angew Chem Int Ed Engl , vol.43 , pp. 546-549
- Kaupp, M.¹

36
- 0030006891
- Schindelin H, Kisker C, Hilton J, Rajagopalan KV, Rees DC (1996) Science 272:1615-1621
- (1996) Science , vol.272 , pp. 1615-1621
- Schindelin, H.¹ Kisker, C.² Hilton, J.³ Rajagopalan, K.V.⁴ Rees, D.C.⁵

37
- 0031444936
- McAlpine AS, McEwan AG, Shaw AL, Bailey S (1997) J Biol Inorg Chem 2:690-701
- (1997) J Biol Inorg Chem , vol.2 , pp. 690-701
- McAlpine, A.S.¹ McEwan, A.G.² Shaw, A.L.³ Bailey, S.⁴

38
- 0033576980
- George GN, Hilton J, Temple C, Prince RC, Rajagopalan KV (1999) J Am Chem Soc 121:1256-1266
- (1999) J Am Chem Soc , vol.121 , pp. 1256-1266
- George, G.N.¹ Hilton, J.² Temple, C.³ Prince, R.C.⁴ Rajagopalan, K.V.⁵

39
- 0034674980
- Li HK, Temple C, Rajagopalan KV, Schindelin H (2000) J Am Chem Soc 122:7673-7680
- (2000) J Am Chem Soc , vol.122 , pp. 7673-7680
- Li, H.K.¹ Temple, C.² Rajagopalan, K.V.³ Schindelin, H.⁴

40
- 0036359683
- Enemark JH, Cosper MM (2002) Met Ions Biol Syst 39:621-654
- (2002) Met Ions Biol Syst , vol.39 , pp. 621-654
- Enemark, J.H.¹ Cosper, M.M.²

41
- 0033605682
- Hilton JC, Temple CA, Rajagopalan KV (1999) J Biol Chem 274:8428-8436
- (1999) J Biol Chem , vol.274 , pp. 8428-8436
- Hilton, J.C.¹ Temple, C.A.² Rajagopalan, K.V.³

42
- 33748855338
- Lauher JW, Hoffman R (1976) J Am Chem Soc 98:1729-1742
- (1976) J Am Chem Soc , vol.98 , pp. 1729-1742
- Lauher, J.W.¹ Hoffman, R.²

43
- 10144250950
- Cooney JJA, Cranswick MA, Gruhn NE, Joshi HK, Enemark JH (2004) Inorg Chem 43:8110-8118
- (2004) Inorg Chem , vol.43 , pp. 8110-8118
- Cooney, J.J.A.¹ Cranswick, M.A.² Gruhn, N.E.³ Joshi, H.K.⁴ Enemark, J.H.⁵

44
- 4644315259
- Joshi HK, Enemark JH (2004) J Am Chem Soc 126:11784-11785
- (2004) J Am Chem Soc , vol.126 , pp. 11784-11785
- Joshi, H.K.¹ Enemark, J.H.²

45
- 0000896975
- Kaupp M (2001) Angew Chem Int Ed Engl 40:3534-3565
- (2001) Angew Chem Int Ed Engl , vol.40 , pp. 3534-3565
- Kaupp, M.¹

46
- 0038218089
- Pyykkö P (1988) Chem Rev 88:563-594
- (1988) Chem Rev , vol.88 , pp. 563-594
- Pyykkö, P.¹

47
- 0034707534
- Lim BS, Donahue JP, Holm RH (2000) Inorg Chem 39:263-273
- (2000) Inorg Chem , vol.39 , pp. 263-273
- Lim, B.S.¹ Donahue, J.P.² Holm, R.H.³

48
- 3142778495
- Hettmann T, Siddiqui RA, Frey C, Santos-Silva T, Romao MJ, Diekmann S (2004) Biochem Biophys Res Commun 320:1211-1219
- (2004) Biochem Biophys Res Commun , vol.320 , pp. 1211-1219
- Hettmann, T.¹ Siddiqui, R.A.² Frey, C.³ Santos-Silva, T.⁴ Romao, M.J.⁵ Diekmann, S.⁶

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.