SCOPUS 정보 검색 플랫폼

Journal of Biological Inorganic Chemistry

Volumn 10, Issue 6, 2005, Pages 595-604

Proximal effects in the modulation of nitric oxide synthase reactivity: A QM-MM study

(4) Fernández, M Laura a Martí, Marcelo A a Crespo, Alejandro a Estrin, Darío A a

a Instituto de Quimica Fisica de los Materiales Medio Ambiente y Energia (Argentina)

Author keywords

Density functional theory; Heme proteins; Nitric oxide; NOS; QM MM

Indexed keywords

CYSTEINE; HEME; IRON; MACROCYCLIC COMPOUND; NITRIC OXIDE; NITRIC OXIDE SYNTHASE; PROTEIN; SULFUR; TRYPTOPHAN;

ARTICLE; CALCULATION; CHEMICAL BOND; COMPARATIVE STUDY; ELECTRONICS; ENZYME ACTIVITY; HALF LIFE TIME; MODULATION; MOLECULAR BIOLOGY; PRIORITY JOURNAL; QUANTUM CHEMISTRY; STRUCTURE ANALYSIS;

BINDING SITES; COMPUTATIONAL BIOLOGY; HEME; HEMEPROTEINS; HUMANS; HYDROGEN BONDING; IRON; MODELS, MOLECULAR; NITRIC OXIDE SYNTHASE TYPE III; TRYPTOPHAN;

EID: 27944489085 PISSN: 09498257 EISSN: None Source Type: Journal
DOI: 10.1007/s00775-005-0004-6 Document Type: Article

Times cited : (13)

References (56)

1
- 0001586652
- Stuehr DJ (1999) Biochim Biophys Acta 1411:2146-2152
- (1999) Biochim Biophys Acta , vol.1411 , pp. 2146-2152
- Stuehr, D.J.¹

2
- 0019195506
- Furchgott RF, Zawadzki JV (1980) Nature 288:373-376
- (1980) Nature , vol.288 , pp. 373-376
- Furchgott, R.F.¹ Zawadzki, J.V.²

3
- 0023198721
- Palmer RMJ, Ferrige AG, Moncada S (1987) Nature 327:524-526
- (1987) Nature , vol.327 , pp. 524-526
- Palmer, R.M.J.¹ Ferrige, A.G.² Moncada, S.³

4
- 0035425503
- and references therein
- Alderton WK, Cooper CE, Knowles RG (2001) Biochem J 357:593-615 and references therein
- (2001) Biochem J , vol.357 , pp. 593-615
- Alderton, W.K.¹ Cooper, C.E.² Knowles, R.G.³

5
- 0027325255
- Marletta MA (1993) J Biol Chem 268:12231-12234
- (1993) J Biol Chem , vol.268 , pp. 12231-12234
- Marletta, M.A.¹

6
- 0000767074
- Loew GH, Harris DL (2000) Chem Rev 100:407-419
- (2000) Chem Rev , vol.100 , pp. 407-419
- Loew, G.H.¹ Harris, D.L.²

7
- 0035114957
- Woggon WD, Wagenknecht HA, Claude C (2001) J Inorg Biochem 83:289-300
- (2001) J Inorg Biochem , vol.83 , pp. 289-300
- Woggon, W.D.¹ Wagenknecht, H.A.² Claude, C.³

8
- 0028931726
- McMillan K, Masters BS (1995) Biochemistry 34:3686-3693
- (1995) Biochemistry , vol.34 , pp. 3686-3693
- McMillan, K.¹ Masters, B.S.²

9
- 0028601409
- Richards MK, Marletta MA (1994) Biochemistry 33:14723-14732
- (1994) Biochemistry , vol.33 , pp. 14723-14732
- Richards, M.K.¹ Marletta, M.A.²

10
- 0028911054
- Ghosh DK, Stuehr DJ (1995) Biochemistry 34:801-807
- (1995) Biochemistry , vol.34 , pp. 801-807
- Ghosh, D.K.¹ Stuehr, D.J.²

11
- 0033578713
- Adak S, Crooks C, Wang Q, Crane BR, Trainer JA, Gertzoff ED, Stuehr DJ (1999) J Biol Chem 274:26907-26911
- (1999) J Biol Chem , vol.274 , pp. 26907-26911
- Adak, S.¹ Crooks, C.² Wang, Q.³ Crane, B.R.⁴ Trainer, J.A.⁵ Gertzoff, E.D.⁶ Stuehr, D.J.⁷

12
- 0037035537
- Schelvis JPM, Berka V, Babcock GT, Tsai A (2002) Biochemistry 41:5695-5701
- (2002) Biochemistry , vol.41 , pp. 5695-5701
- Schelvis, J.P.M.¹ Berka, V.² Babcock, G.T.³ Tsai, A.⁴

13
- 0032560966
- Presta A, Weber-Main AM, Stankovich MT, Stuehr DJ (1998) J Am Chem Soc 120:9460-9465
- (1998) J Am Chem Soc , vol.120 , pp. 9460-9465
- Presta, A.¹ Weber-Main, A.M.² Stankovich, M.T.³ Stuehr, D.J.⁴

14
- 0033592424
- Abu-Soud HM, Wang J, Rousseau DL, Stuehr DJ (1999) Biochemistry 38:12446-12451
- (1999) Biochemistry , vol.38 , pp. 12446-12451
- Abu-Soud, H.M.¹ Wang, J.² Rousseau, D.L.³ Stuehr, D.J.⁴

15
- 2942755861
- Li D, Stuehr DJ, Yeh SR, Rousseau DL (2004) J Biol Chem 279:26489-26499
- (2004) J Biol Chem , vol.279 , pp. 26489-26499
- Li, D.¹ Stuehr, D.J.² Yeh, S.R.³ Rousseau, D.L.⁴

16
- 0035846988
- Santolini J, Adak S, Curran CML, Stuehr DJ (2001) J Biol Chem 276:1233-1243
- (2001) J Biol Chem , vol.276 , pp. 1233-1243
- Santolini, J.¹ Adak, S.² Curran, C.M.L.³ Stuehr, D.J.⁴

17
- 4344566972
- Stuehr DJ, Santolini J, Wang Z-Q, Wein C-C, Adak S (2004) J Biol Chem 279:36167-36170
- (2004) J Biol Chem , vol.279 , pp. 36167-36170
- Stuehr, D.J.¹ Santolini, J.² Wang, Z.-Q.³ Wein, C.-C.⁴ Adak, S.⁵

18
- 0033531953
- Scheele JS, Bruner E, Kharitonov VG, Martasek P, Roman LJ, Masters BSS, Sharma VS, Magde D (1999) J Biol Chem 274:13105-13110
- (1999) J Biol Chem , vol.274 , pp. 13105-13110
- Scheele, J.S.¹ Bruner, E.² Kharitonov, V.G.³ Martasek, P.⁴ Roman, L.J.⁵ Masters, B.S.S.⁶ Sharma, V.S.⁷ Magde, D.⁸

19
- 0035966114
- Santolini J, Meade AL, Stuher DJ (2001) J Biol Chem 276:48887-48898
- (2001) J Biol Chem , vol.276 , pp. 48887-48898
- Santolini, J.¹ Meade, A.L.² Stuher, D.J.³

20
- 0037418534
- Voegtle HL, Sono M, Adak S, Pond AE, Tomita T, Perera R, Goodin DB, Ikeda-Saito M, Stuehr DJ, Dawson JH (2003) Biochemistry 42:2475-2484
- (2003) Biochemistry , vol.42 , pp. 2475-2484
- Voegtle, H.L.¹ Sono, M.² Adak, S.³ Pond, A.E.⁴ Tomita, T.⁵ Perera, R.⁶ Goodin, D.B.⁷ Ikeda-Saito, M.⁸ Stuehr, D.J.⁹ Dawson, J.H.¹⁰

21
- 0034625417
- Adak S, Wang Q, Stuehr DJ (2000) J Biol Chem 275:17434-17439
- (2000) J Biol Chem , vol.275 , pp. 17434-17439
- Adak, S.¹ Wang, Q.² Stuehr, D.J.³

22
- 0035851202
- Couture M, Adak S, Stuehr DJ, Rousseau DL (2001) J Biol Chem 276:38280-38288
- (2001) J Biol Chem , vol.276 , pp. 38280-38288
- Couture, M.¹ Adak, S.² Stuehr, D.J.³ Rousseau, D.L.⁴

23
- 0037390012
- USA
- Perera R, Sono M, Sigman JA, Pfister TD, Lu Y, Dawson JH (2003) Proc Natl Acad Sci USA 100:3641-3646
- (2003) Proc Natl Acad Sci , vol.100 , pp. 3641-3646
- Perera, R.¹ Sono, M.² Sigman, J.A.³ Pfister, T.D.⁴ Lu, Y.⁵ Dawson, J.H.⁶

24
- 0033572911
- Suzuki N, Higuchi T, Urano Y, Kikuchi K, Uekusa H, Ohashi Y, Uchida T, Kitagawa T, Nagano T (1999) J Am Chem Soc 121:11571-11572
- (1999) J Am Chem Soc , vol.121 , pp. 11571-11572
- Suzuki, N.¹ Higuchi, T.² Urano, Y.³ Kikuchi, K.⁴ Uekusa, H.⁵ Ohashi, Y.⁶ Uchida, T.⁷ Kitagawa, T.⁸ Nagano, T.⁹

25
- 12144287949
- Schöneboom JC, Cohen S, Lin H, Shaik S, Thiel W (2004) J Am Chem Soc 126:4017-4034
- (2004) J Am Chem Soc , vol.126 , pp. 4017-4034
- Schöneboom, J.C.¹ Cohen, S.² Lin, H.³ Shaik, S.⁴ Thiel, W.⁵

26
- 3442900466
- Lin H, Schöneboom JC, Cohen S, Shaik S, Thiel W (2004) J Phys Chem B 108:10083-10088
- (2004) J Phys Chem B , vol.108 , pp. 10083-10088
- Lin, H.¹ Schöneboom, J.C.² Cohen, S.³ Shaik, S.⁴ Thiel, W.⁵

27
- 0024785517
- Schweitzer-Stenner R (1989) Q Rev Biophys 22:381-490
- (1989) Q Rev Biophys , vol.22 , pp. 381-490
- Schweitzer-Stenner, R.¹

28
- 0032351444
- Shelnutt JA, Song X-Z, Ma J-G, Jia S-L, Jentzen W, Medforth C (1998) Chem Soc Rev 27:31-41
- (1998) Chem Soc Rev , vol.27 , pp. 31-41
- Shelnutt, J.A.¹ Song, X.-Z.² Ma, J.-G.³ Jia, S.-L.⁴ Jentzen, W.⁵ Medforth, C.⁶

29
- 0031078856
- Jentzen W, Song X-Z, Shelnutt JA (1997) J Phys Chem B 101:1684-1699
- (1997) J Phys Chem B , vol.101 , pp. 1684-1699
- Jentzen, W.¹ Song, X.-Z.² Shelnutt, J.A.³

30
- 17444402500
- Fischmann TO, Hruza A, Xiao DN, Fossetta JD, Lunn CA, Dolphin E, Prongay AJ, Reichert P, Lundell DJ, Narula SK, Weber PC (1999) Nat Struct Biol 6:233-242
- (1999) Nat Struct Biol , vol.6 , pp. 233-242
- Fischmann, T.O.¹ Hruza, A.² Xiao, D.N.³ Fossetta, J.D.⁴ Lunn, C.A.⁵ Dolphin, E.⁶ Prongay, A.J.⁷ Reichert, P.⁸ Lundell, D.J.⁹ Narula, S.K.¹⁰ Weber, P.C.¹¹

31
- 0004016501
- Jorgensen WL, Chandrasekhar J, Madura JD, Impey RW, Klein ML (1983) J Chem Phys 79:926-935
- (1983) J Chem Phys , vol.79 , pp. 926-935
- Jorgensen, W.L.¹ Chandrasekhar, J.² Madura, J.D.³ Impey, R.W.⁴ Klein, M.L.⁵

32
- 0001398008
- Wang J, Cieplak P, Kollman PA (2000) J Comput Chem 21:1049-1074
- (2000) J Comput Chem , vol.21 , pp. 1049-1074
- Wang, J.¹ Cieplak, P.² Kollman, P.A.³

33
- 9944259599
- Marti MA, Crespo A, Bari SE, Doctorovich FA, Estrin DA (2003) J Phys Chem B 108:18073-18080
- (2003) J Phys Chem B , vol.108 , pp. 18073-18080
- Marti, M.A.¹ Crespo, A.² Bari, S.E.³ Doctorovich, F.A.⁴ Estrin, D.A.⁵

34
- 16244367739
- Crespo A, Marti MA, Kalko SG, Morreale A, Orozco M, Gelpi JL, Luque FJ, Estrin DA (2005) J Am Chem Soc 127:4433-4444
- (2005) J Am Chem Soc , vol.127 , pp. 4433-4444
- Crespo, A.¹ Marti, M.A.² Kalko, S.G.³ Morreale, A.⁴ Orozco, M.⁵ Gelpi, J.L.⁶ Luque, F.J.⁷ Estrin, D.A.⁸

35
- 0037171091
- Soler JM, Artacho E, Gale J, García A, Junquera J, Ordejón P, Sánchez-Portal D (2002) J Phys Cond Matt 14:2745-2779
- (2002) J Phys Cond Matt , vol.14 , pp. 2745-2779
- Soler, J.M.¹ Artacho, E.² Gale, J.³ García, A.⁴ Junquera, J.⁵ Ordejón, P.⁶ Sánchez-Portal, D.⁷

36
- 0041654852
- Martí MA, Scherlis DA, Doctorovich FA, Ordejón P, Estrin DA (2003) J Bio Inorg Chem 6:595-600
- (2003) J Bio Inorg Chem , vol.6 , pp. 595-600
- Martí, M.A.¹ Scherlis, D.A.² Doctorovich, F.A.³ Ordejón, P.⁴ Estrin, D.A.⁵

37
- 0037112163
- Scherlis DA, Martí MA, Ordejón P, Estrin DA (2002) Int J Quant Chem 90:1505-1514
- (2002) Int J Quant Chem , vol.90 , pp. 1505-1514
- Scherlis, D.A.¹ Martí, M.A.² Ordejón, P.³ Estrin, D.A.⁴

38
- 33645426115
- Troullier N, Martins JL (1991) Phys Rev B 43:1993-2006
- (1991) Phys Rev B , vol.43 , pp. 1993-2006
- Troullier, N.¹ Martins, J.L.²

39
- 0000549623
- Louie SG, Froyen S, Cohen ML (1982) Phys Rev B 26:1738-1742
- (1982) Phys Rev B , vol.26 , pp. 1738-1742
- Louie, S.G.¹ Froyen, S.² Cohen, M.L.³

40
- 0037171091
- Soler JM, Artacho E, Gale J, García A, Junquera J, Ordejón P, Sánchez-Portal D (2002) J Phys Cond Mat 14:2745-2779
- (2002) J Phys Cond Mat , vol.14 , pp. 2745-2779
- Soler, J.M.¹ Artacho, E.² Gale, J.³ García, A.⁴ Junquera, J.⁵ Ordejón, P.⁶ Sánchez-Portal, D.⁷

41
- 4243943295
- Perdew JP, Burke K, Ernzerhof M (1996) Phys Rev Lett 77:3865-3868
- (1996) Phys Rev Lett , vol.77 , pp. 3865-3868
- Perdew, J.P.¹ Burke, K.² Ernzerhof, M.³

42
- 9944259599
- Martí MA, Crespo A, Bari SE, Doctorovich FA, Estrin DA (2004) J Phys Chem B 108:18073-18080
- (2004) J Phys Chem B , vol.108 , pp. 18073-18080
- Martí, M.A.¹ Crespo, A.² Bari, S.E.³ Doctorovich, F.A.⁴ Estrin, D.A.⁵

43
- 0000928098
- Eichinger M, Tavan P, Hutter J, Parrinello M (1999) J Chem Phys 110:10452-10467
- (1999) J Chem Phys , vol.110 , pp. 10452-10467
- Eichinger, M.¹ Tavan, P.² Hutter, J.³ Parrinello, M.⁴

44
- 0034951055
- Rovira C, Schultze B, Eichinger M, Evanseck JD, Parrinello M (2001) Biophys J 81:435-445
- (2001) Biophys J , vol.81 , pp. 435-445
- Rovira, C.¹ Schultze, B.² Eichinger, M.³ Evanseck, J.D.⁴ Parrinello, M.⁵

45
- 0031276121
- Rovira C, Kunc K, Hutter J, Ballone P, Parrinello M (1997) J Phys Chem A 101:8914-8925
- (1997) J Phys Chem A , vol.101 , pp. 8914-8925
- Rovira, C.¹ Kunc, K.² Hutter, J.³ Ballone, P.⁴ Parrinello, M.⁵

46
- 0000767074
- Loew GH, Harris DL (2000) Chem Rev 100:407-419
- (2000) Chem Rev , vol.100 , pp. 407-419
- Loew, G.H.¹ Harris, D.L.²

47
- 2942748358
- Schöneboom JC, Thiel W (2004) J Phys Chem 108:7468-7478
- (2004) J Phys Chem , vol.108 , pp. 7468-7478
- Schöneboom, J.C.¹ Thiel, W.²

48
- 4243616042
- Enemark JH, Feltham RD (1974) Coord Chem Rev 13:339-406
- (1974) Coord Chem Rev , vol.13 , pp. 339-406
- Enemark, J.H.¹ Feltham, R.D.²

49
- 0346885688
- Crespo A, Scherlis DA, Martí MA, Ordejón P, Roitberg AE, Estrin DA (2003) J Phys Chem 107:13728-13736
- (2003) J Phys Chem , vol.107 , pp. 13728-13736
- Crespo, A.¹ Scherlis, D.A.² Martí, M.A.³ Ordejón, P.⁴ Roitberg, A.E.⁵ Estrin, D.A.⁶

50
- 0029394753
- Jentzen W, Simpson MC, Hobbs JD, Song X, Ema T, Nelson NY, Medforth CJ, Smith KM, Veyrat M, Mazzanti, M, Ramasseul R, Marchon JC, Takeuchi T, Goddard III WA, Shelnutt JA (1995) J Am Chem Soc 117:11085-11097
- (1995) J Am Chem Soc , vol.117 , pp. 11085-11097
- Jentzen, W.¹ Simpson, M.C.² Hobbs, J.D.³ Song, X.⁴ Ema, T.⁵ Nelson, N.Y.⁶ Medforth, C.J.⁷ Smith, K.M.⁸ Veyrat, M.⁹ Mazzanti, M.¹⁰ Ramasseul, R.¹¹ Marchon, J.C.¹² Takeuchi, T.¹³ Goddard III, W.A.¹⁴ Shelnutt, J.A.¹⁵

51
- 0029878720
- Humphrey W, Dalke A, Schulten K (1996) J Molec Graphics 14:33-38
- (1996) J Molec Graphics , vol.14 , pp. 33-38
- Humphrey, W.¹ Dalke, A.² Schulten, K.³

52
- 0036555568
- Wyllie GRA, Scheidt WR (2002) Chem Rev 102:1067-1089
- (2002) Chem Rev , vol.102 , pp. 1067-1089
- Wyllie, G.R.A.¹ Scheidt, W.R.²

53
- 0032571411
- Crane BR, Arvai AS, Ghosh DK, Wu C, Getzoff ED, Stuhehr DJ, Tainer JA (1998) Science 249:2121-2126
- (1998) Science , vol.249 , pp. 2121-2126
- Crane, B.R.¹ Arvai, A.S.² Ghosh, D.K.³ Wu, C.⁴ Getzoff, E.D.⁵ Stuhehr, D.J.⁶ Tainer, J.A.⁷

54
- 0033571222
- Crane BR, Rosenfeld RA, Arvai AS, Ghosh DK, Ghosh S, Tainer JA, Stuhehr DJ, Getzoff ED (1999) EMBO J 18:6271-6281
- (1999) EMBO J , vol.18 , pp. 6271-6281
- Crane, B.R.¹ Rosenfeld, R.A.² Arvai, A.S.³ Ghosh, D.K.⁴ Ghosh, S.⁵ Tainer, J.A.⁶ Stuhehr, D.J.⁷ Getzoff, E.D.⁸

55
- 0000506288
- Hu S, Kincaid JR (1991) J Am Chem Soc 113:2843-2850
- (1991) J Am Chem Soc , vol.113 , pp. 2843-2850
- Hu, S.¹ Kincaid, J.R.²

56
- 0032539196
- Obayashi E, Takahashi S, Shiro Y (1998) J Am Chem Soc 120:12964-12965
- (1998) J Am Chem Soc , vol.120 , pp. 12964-12965
- Obayashi, E.¹ Takahashi, S.² Shiro, Y.³

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.