-
1
-
-
0025113022
-
β‐Turns and their distortions: a proposed new nomenclature
-
1 Wilmot CM, Thornton JM. β‐Turns and their distortions: a proposed new nomenclature. Protein Eng 1990 ; 3 (6): 479–493, and references therein.
-
(1990)
Protein Eng
, vol.3
, Issue.6
, pp. 479-493
-
-
Wilmot, CM1
Thornton, JM2
-
2
-
-
18844465959
-
Vicinal disulfide bridge conformers by experimental methods and by ab initio and DFT molecular computations
-
2 Hudáky I, Gáspári Z, Carugo O, Čemažar M, Pongor S, Perczel A. Vicinal disulfide bridge conformers by experimental methods and by ab initio and DFT molecular computations. Proteins 2004 ; 55: 152–168, and references therein.
-
(2004)
Proteins
, vol.55
, pp. 152-168
-
-
Hudáky, I1
Gáspári, Z2
Carugo, O3
Čemažar, M4
Pongor, S5
Perczel, A6
-
3
-
-
0016390659
-
Conformation of the lithium ion complex of antamanide, a cyclic decapeptide and ion carrier, in the crystalline state
-
3 Karle IL. Conformation of the lithium ion complex of antamanide, a cyclic decapeptide and ion carrier, in the crystalline state. J Am Chem Soc 1974 ; 96: 4000–4006.
-
(1974)
J Am Chem Soc
, vol.96
, pp. 4000-4006
-
-
Karle, IL1
-
4
-
-
0024786709
-
Bioactive peptides: solid‐state and solution conformation of cyclolinopeptide A
-
4 Di Blasio B, Rossi F, Benedetti E, Pavone V, Pedone C, Temussi PA, Zanotti G, Tancredi T. Bioactive peptides: solid‐state and solution conformation of cyclolinopeptide A. J Am Chem Soc 1989 ; 111: 9089–9098.
-
(1989)
J Am Chem Soc
, vol.111
, pp. 9089-9098
-
-
Di Blasio, B1
Rossi, F2
Benedetti, E3
Pavone, V4
Pedone, C5
Temussi, PA6
Zanotti, G7
Tancredi, T8
-
5
-
-
0030914853
-
Solution state conformation of an immunosuppressive cyclic dodecapeptide, cycloleonurinin
-
5 Morita H, Gonda A, Takeya K, Itokawa H, Hirano T, Oka K, Shirota O. Solution state conformation of an immunosuppressive cyclic dodecapeptide, cycloleonurinin. Tetrahedron 1997 ; 53: 7469–7478.
-
(1997)
Tetrahedron
, vol.53
, pp. 7469-7478
-
-
Morita, H1
Gonda, A2
Takeya, K3
Itokawa, H4
Hirano, T5
Oka, K6
Shirota, O7
-
6
-
-
0031550605
-
Cycloleonuripeptide D, a new proline‐rich cyclic decapeptide from Leonurus heterophyllus
-
6 Morita H, Gonda A, Takeya K, Itokawa H, Iitaka Y. Cycloleonuripeptide D, a new proline‐rich cyclic decapeptide from Leonurus heterophyllus. Tetrahedron 1997 ; 53: 1617–1626.
-
(1997)
Tetrahedron
, vol.53
, pp. 1617-1626
-
-
Morita, H1
Gonda, A2
Takeya, K3
Itokawa, H4
Iitaka, Y5
-
7
-
-
1042268143
-
Three‐finger α‐neurotoxins and the nicotonoc acetylcholine receptor, forty years on
-
7 Nirthanan S, Gwee MCE. Three‐finger α‐neurotoxins and the nicotonoc acetylcholine receptor, forty years on. J Pharmacol Sci 2004 ; 94: 1–17.
-
(2004)
J Pharmacol Sci
, vol.94
, pp. 1-17
-
-
Nirthanan, S1
Gwee, MCE2
-
8
-
-
0027371744
-
NMR solution structure of an α‐bungarotoxin/nicotinic receptor peptide complex
-
8 Basus VJ, Song G, Hawrot E. NMR solution structure of an α‐bungarotoxin/nicotinic receptor peptide complex. Biochemistry 1993 ; 32: 12290–12298.
-
(1993)
Biochemistry
, vol.32
, pp. 12290-12298
-
-
Basus, VJ1
Song, G2
Hawrot, E3
-
9
-
-
0022943266
-
The crystal structure of alpha‐bungarotoxin at 2.5 Å resolution: relation to solution structure and binding to acetylcholine receptor
-
9 Love RA, Stroud RM. The crystal structure of alpha‐bungarotoxin at 2.5 Å resolution: relation to solution structure and binding to acetylcholine receptor. Protein Eng 1986 ; 1: 37–46.
-
(1986)
Protein Eng
, vol.1
, pp. 37-46
-
-
Love, RA1
Stroud, RM2
-
10
-
-
0037130458
-
The mechanism for acetylcholine receptor inhibition by α‐neurotoxins and species‐specific resistance to α‐bungarotoxin revealed by NMR
-
10 Samson AO, Scherf T, Eisenstein M, Chill JH, Anglister J. The mechanism for acetylcholine receptor inhibition by α‐neurotoxins and species‐specific resistance to α‐bungarotoxin revealed by NMR. Neuron 2002 ; 35: 319–332.
-
(2002)
Neuron
, vol.35
, pp. 319-332
-
-
Samson, AO1
Scherf, T2
Eisenstein, M3
Chill, JH4
Anglister, J5
-
11
-
-
0026613082
-
1.9‐Å resolution structure of fasciculin‐1, an anti‐acetylcholinesterase toxin from green mamba snake venom
-
11 Le Du MH, Marchot P, Bougis PE, Fontecilla‐Camps JC. 1.9‐Å resolution structure of fasciculin‐1, an anti‐acetylcholinesterase toxin from green mamba snake venom. J Biol Chem 1992 ; 267: 22122–22130.
-
(1992)
J Biol Chem
, vol.267
, pp. 22122-22130
-
-
Le Du, MH1
Marchot, P2
Bougis, PE3
Fontecilla‐Camps, JC4
-
12
-
-
0028306665
-
X‐ray Structure at 1.55 Å of toxin γ, a cardiotoxin from Naja nigricolis venom
-
12 Bilwes A, Rees B, Moras D, Ménez R, Ménez A. X‐ray Structure at 1.55 Å of toxin γ, a cardiotoxin from Naja nigricolis venom. J Mol Biol 1994 ; 239: 122–136.
-
(1994)
J Mol Biol
, vol.239
, pp. 122-136
-
-
Bilwes, A1
Rees, B2
Moras, D3
Ménez, R4
Ménez, A5
-
13
-
-
0027217436
-
Determination of the NMR solution structure of cardiotoxin CTX‐IIb from Naja mossambica mossambica
-
13 O'Connell JF, Bougis PE, Wuthrich K. Determination of the NMR solution structure of cardiotoxin CTX‐IIb from Naja mossambica mossambica. Eur J Biochem 1993 ; 213: 891–900.
-
(1993)
Eur J Biochem
, vol.213
, pp. 891-900
-
-
O'Connell, JF1
Bougis, PE2
Wuthrich, K3
-
14
-
-
0026472379
-
3‐dimensional solution structure of a curaremimetic toxin from Naja nigricollis venom: a proton NMR and molecular modeling study
-
14 Zinn‐Justin S, Roumestand C, Gilquin B, Bontems F, Menez A, Toma F. 3‐dimensional solution structure of a curaremimetic toxin from Naja nigricollis venom: a proton NMR and molecular modeling study. Biochemistry 1992 ; 31: 11335–11347.
-
(1992)
Biochemistry
, vol.31
, pp. 11335-11347
-
-
Zinn‐Justin, S1
Roumestand, C2
Gilquin, B3
Bontems, F4
Menez, A5
Toma, F6
-
15
-
-
0344972098
-
Three‐dimensional solution structure of conotoxin ψ‐PIIIE, an acetylcholine gated ion channel antagonist
-
15 Mitchell SS, Shon KJ, Foster MP, Davis DR, Olivera BM, Ireland CM. Three‐dimensional solution structure of conotoxin ψ‐PIIIE, an acetylcholine gated ion channel antagonist. Biochemistry 1998 ; 37: 1215–1220.
-
(1998)
Biochemistry
, vol.37
, pp. 1215-1220
-
-
Mitchell, SS1
Shon, KJ2
Foster, MP3
Davis, DR4
Olivera, BM5
Ireland, CM6
-
16
-
-
0038010721
-
Characterization and three‐dimensional solution structure determination of ψ‐conotoxin PIIIF, a novel antagonist of acetylcholine receptors
-
16 Van Wagoner RM, Jacobsen RB, Olivera BM, Ireland CM. Characterization and three‐dimensional solution structure determination of ψ‐conotoxin PIIIF, a novel antagonist of acetylcholine receptors. Biochemistry 2003 ; 42: 6353–6362.
-
(2003)
Biochemistry
, vol.42
, pp. 6353-6362
-
-
Van Wagoner, RM1
Jacobsen, RB2
Olivera, BM3
Ireland, CM4
-
17
-
-
0031569801
-
Solution structure of the sodium channel antagonist conotoxin GS: a new molecular caliper for probing sodium channel geometry
-
17 Hill JM, Alewood PF, Craik DJ. Solution structure of the sodium channel antagonist conotoxin GS: a new molecular caliper for probing sodium channel geometry. Structure 1997 ; 5: 571–583.
-
(1997)
Structure
, vol.5
, pp. 571-583
-
-
Hill, JM1
Alewood, PF2
Craik, DJ3
-
18
-
-
0033863552
-
Conotoxin TVIIA, a novel peptide from the venom of Conus tulipa 2. Three‐dimensional solution structure
-
18 Hill JM, Alewood PF, Craik DJ. Conotoxin TVIIA, a novel peptide from the venom of Conus tulipa 2. Three‐dimensional solution structure. Eur J Biochem 2000 ; 267: 4649–4657.
-
(2000)
Eur J Biochem
, vol.267
, pp. 4649-4657
-
-
Hill, JM1
Alewood, PF2
Craik, DJ3
-
19
-
-
0027078665
-
Structure–activity relationships of μ‐conotoxin GIIIA: structure determination of active and inactive sodium channel blocker peptides by NMR and simulated annealing calculations
-
19 Wakamatsu K, Kohda D, Hatanaka H, Lancelin J‐M, Ishida Y, Oya M, Nakamura H, Inagaki F, Sato K. Structure–activity relationships of μ‐conotoxin GIIIA: structure determination of active and inactive sodium channel blocker peptides by NMR and simulated annealing calculations. Biochemistry 1992 ; 31: 12577–12584.
-
(1992)
Biochemistry
, vol.31
, pp. 12577-12584
-
-
Wakamatsu, K1
Kohda, D2
Hatanaka, H3
Lancelin, J‐M4
Ishida, Y5
Oya, M6
Nakamura, H7
Inagaki, F8
Sato, K9
-
20
-
-
0030016085
-
Three‐dimensional solution structure of μ‐conotoxin GIIIB, a specific blocker of skeletal muscle sodium channels
-
20 Hill JM, Alewood PF, Craik DJ. Three‐dimensional solution structure of μ‐conotoxin GIIIB, a specific blocker of skeletal muscle sodium channels. Biochemistry 1996 ; 35: 8824–8835.
-
(1996)
Biochemistry
, vol.35
, pp. 8824-8835
-
-
Hill, JM1
Alewood, PF2
Craik, DJ3
-
21
-
-
0027177515
-
The role of thrombin's Tyr–Pro–Pro–Trp motif in the interaction with fibrinogen, thrombomodulin, protein‐C, antithrombin‐III, and the Kunitz inhibitors
-
21 Le Bonniec BF, Guinto ER, MacGillivray RTA, Stone ST, Esmon CT. The role of thrombin's Tyr–Pro–Pro–Trp motif in the interaction with fibrinogen, thrombomodulin, protein‐C, antithrombin‐III, and the Kunitz inhibitors. J Biol Chem 1993 ; 268: 19055–11961.
-
(1993)
J Biol Chem
, vol.268
, pp. 19055-11961
-
-
Le Bonniec, BF1
Guinto, ER2
MacGillivray, RTA3
Stone, ST4
Esmon, CT5
-
22
-
-
0025837452
-
Crystallographic analysis At 3.0‐Å resolution of the binding to human thrombin of four active site‐directed inhibitors
-
22 Banner DW, Hadváry P. Crystallographic analysis At 3.0‐Å resolution of the binding to human thrombin of four active site‐directed inhibitors. J Biol Chem 1991 ; 266: 20085–20093.
-
(1991)
J Biol Chem
, vol.266
, pp. 20085-20093
-
-
Banner, DW1
Hadváry, P2
-
23
-
-
0033120232
-
Crystal structure of Escherichia coli uracil DNA glycosylase and its complexes with uracil and glycerol: structure and glycosylase mechanism revisited
-
23 Xiao G, Todorova M, Jagadeesh J, Drohat AC, Stivers JT, Gilliland GL. Crystal structure of Escherichia coli uracil DNA glycosylase and its complexes with uracil and glycerol: structure and glycosylase mechanism revisited. Proteins Struct Funct Genetics 1999 ; 35: 13–24.
-
(1999)
Proteins Struct Funct Genetics
, vol.35
, pp. 13-24
-
-
Xiao, G1
Todorova, M2
Jagadeesh, J3
Drohat, AC4
Stivers, JT5
Gilliland, GL6
-
24
-
-
0028934537
-
Crystal‐structure of human uracil‐DNA glycosylase in complex with a protein inhibitor—protein mimicry of DNA
-
24 Mol CD, Arvai AS, Sanderson RJ, Slupphaug G, Kavli B, Krokan HE, Mosbaugh DW, Tainer JA. Crystal‐structure of human uracil‐DNA glycosylase in complex with a protein inhibitor—protein mimicry of DNA. Cell 1995 ; 80: 869–878.
-
(1995)
Cell
, vol.80
, pp. 869-878
-
-
Mol, CD1
Arvai, AS2
Sanderson, RJ3
Slupphaug, G4
Kavli, B5
Krokan, HE6
Mosbaugh, DW7
Tainer, JA8
-
25
-
-
0028959237
-
The structural basis of specific base‐excision repair by uracil–DNA glycosylase
-
25 Savva R, McAuley‐Hecht K, Brown T, Pearl L. The structural basis of specific base‐excision repair by uracil–DNA glycosylase. Nature 1995 ; 373: 487–493.
-
(1995)
Nature
, vol.373
, pp. 487-493
-
-
Savva, R1
McAuley‐Hecht, K2
Brown, T3
Pearl, L4
-
26
-
-
0033950079
-
The importance of being proline: the interaction of proline‐rich motifs in signaling proteins with their cognate domains
-
26 Kay BK, Williamson MP, Sudol M. The importance of being proline: the interaction of proline‐rich motifs in signaling proteins with their cognate domains. FASEB J 2000 ; 14: 231–241.
-
(2000)
FASEB J
, vol.14
, pp. 231-241
-
-
Kay, BK1
Williamson, MP2
Sudol, M3
-
27
-
-
0036008212
-
Solution structure of N‐terminal SH3 domain of Vav and the recognition site for Grb2 C‐terminal SH3 domain
-
27 Ogura K, Nagata K, Horiuchi M, Ebisui E, Hasuda T, Yuzawa S, Nishida M, Hatanaka H, Inagaki F. Solution structure of N‐terminal SH3 domain of Vav and the recognition site for Grb2 C‐terminal SH3 domain. J Biomol NMR 2002 ; 22: 37.
-
(2002)
J Biomol NMR
, vol.22
, pp. 37
-
-
Ogura, K1
Nagata, K2
Horiuchi, M3
Ebisui, E4
Hasuda, T5
Yuzawa, S6
Nishida, M7
Hatanaka, H8
Inagaki, F9
-
28
-
-
0032799032
-
Molecular and cellular analysis of Grb2 SH3 domain mutants: interaction with Sos and dynamin
-
28 Vidal M, Goudreau N, Cornille F, Cussac D, Gincel E, Garbay C. Molecular and cellular analysis of Grb2 SH3 domain mutants: interaction with Sos and dynamin. J Mol Biol 1999 ; 290: 717–730.
-
(1999)
J Mol Biol
, vol.290
, pp. 717-730
-
-
Vidal, M1
Goudreau, N2
Cornille, F3
Cussac, D4
Gincel, E5
Garbay, C6
-
29
-
-
0032555743
-
Crystal structure of the Abl‐SH3 domain complexed with a designed high‐affinity peptide ligand: implications for SH3‐ligand interactions
-
29 Pisabarro MT, Serrano L, Wilmanns M. Crystal structure of the Abl‐SH3 domain complexed with a designed high‐affinity peptide ligand: implications for SH3‐ligand interactions. J Mol Biol 1998 ; 281: 513–521.
-
(1998)
J Mol Biol
, vol.281
, pp. 513-521
-
-
Pisabarro, MT1
Serrano, L2
Wilmanns, M3
-
30
-
-
30544435275
-
Palindromic assembly of the giant muscle protein titin in the sarcomeric Z‐disk
-
30 Zou P, Pinotsis N, Lange S, Song Y‐H, Popov A, Mavridis I, Mayans OM, Gautel M, Wilmanns M. Palindromic assembly of the giant muscle protein titin in the sarcomeric Z‐disk. Nature 2006 ; 439: 229–233.
-
(2006)
Nature
, vol.439
, pp. 229-233
-
-
Zou, P1
Pinotsis, N2
Lange, S3
Song, Y‐H4
Popov, A5
Mavridis, I6
Mayans, OM7
Gautel, M8
Wilmanns, M9
-
31
-
-
0034741217
-
Ca2+‐independent binding of an EF‐hand domain to a novel motif in the α‐actinin–titin complex
-
31 Atkinson RA, Joseph C, Kelly G, Muskett FW, Frenkiel TA, Nietlispach D, Pastore A. Ca 2+ ‐independent binding of an EF‐hand domain to a novel motif in the α‐actinin–titin complex. Nat Struct Biol 2001 ; 8: 853–857.
-
(2001)
Nat Struct Biol
, vol.8
, pp. 853-857
-
-
Atkinson, RA1
Joseph, C2
Kelly, G3
Muskett, FW4
Frenkiel, TA5
Nietlispach, D6
Pastore, A7
-
32
-
-
0034681942
-
Site‐Specific NMR Monitoring of cis–trans isomerization in the folding of the proline‐rich collagen triple helix
-
32 Buevich AV, Dai Q‐H, Liu X, Brodsky B, Baum J. Site‐Specific NMR Monitoring of cis–trans isomerization in the folding of the proline‐rich collagen triple helix. Biochemistry 2000 ; 39: 4299–4308, and references therein.
-
(2000)
Biochemistry
, vol.39
, pp. 4299-4308
-
-
Buevich, AV1
Dai, Q‐H2
Liu, X3
Brodsky, B4
Baum, J5
-
33
-
-
0032563109
-
X‐ray crystallographic determination of a collagen‐like peptide with the repeating sequence (Pro–Pro–Gly)
-
33 Kramer RZ, Vitagliano L, Bella J, Berisio R, Mazzarella L, Brodsky B, Zagari A, Berman HM. X‐ray crystallographic determination of a collagen‐like peptide with the repeating sequence (Pro–Pro–Gly). JMol Biol 1998 ; 280: 623–638.
-
(1998)
JMol Biol
, vol.280
, pp. 623-638
-
-
Kramer, RZ1
Vitagliano, L2
Bella, J3
Berisio, R4
Mazzarella, L5
Brodsky, B6
Zagari, A7
Berman, HM8
-
34
-
-
0032913989
-
Sequence dependent conformational variations of collagen triple‐helical structure
-
34 Kramer RZ, Bella J, Mayville P, Brodsky B, Berman HM. Sequence dependent conformational variations of collagen triple‐helical structure. Nat Struct Biol 1999 ; 6: 454–457.
-
(1999)
Nat Struct Biol
, vol.6
, pp. 454-457
-
-
Kramer, RZ1
Bella, J2
Mayville, P3
Brodsky, B4
Berman, HM5
-
35
-
-
0242458482
-
Protein disorder prediction: implication for structural proteomics
-
35 Linding R, Jensen LJ, Diella F, Bork P, Gibson TJ, Russell RB. Protein disorder prediction: implication for structural proteomics. Structure 2003 ; 11: 1453–1459.
-
(2003)
Structure
, vol.11
, pp. 1453-1459
-
-
Linding, R1
Jensen, LJ2
Diella, F3
Bork, P4
Gibson, TJ5
Russell, RB6
-
36
-
-
1642533607
-
The functional benefits of protein disorder
-
36 Tompa P. The functional benefits of protein disorder. J Mol Struct (THEOCHEM) 2003 ; 666–667: 361–371, and references therein.
-
(2003)
J Mol Struct (THEOCHEM)
, vol.666–667
, pp. 361-371
-
-
Tompa, P1
-
37
-
-
0033620593
-
Peptide models XXIV: an ab initio study on N‐formyl‐L‐prolinamide with trans peptide bond. The existence or non‐existence of αL and ϵL conformations
-
37 Baldoni HA, Rodriguez AM, Zamora MA, Zamarbide GN, Enriz RD, Farkas Ö, Császár P, Torday LL, Sosa CP, Jákli I, Perczel A, Papp JG, Hollosi M, Csizmadia IG. Peptide models XXIV: an ab initio study on N ‐formyl‐ L ‐prolinamide with trans peptide bond. The existence or non‐existence of α L and ϵ L conformations. J Mol Struct (THEOCHEM) 1999 ; 465: 79–91.
-
(1999)
J Mol Struct (THEOCHEM)
, vol.465
, pp. 79-91
-
-
Baldoni, HA1
Rodriguez, AM2
Zamora, MA3
Zamarbide, GN4
Enriz, RD5
Farkas, Ö6
Császár, P7
Torday, LL8
Sosa, CP9
Jákli, I10
Perczel, A11
Papp, JG12
Hollosi, M13
Csizmadia, IG14
-
38
-
-
0037066342
-
Peptide models XXXVIII. Proline conformers from X‐ray crystallographic database and from ab initio computations
-
38 Hudáky I, Baldoni HA, Perczel A. Peptide models XXXVIII. Proline conformers from X‐ray crystallographic database and from ab initio computations. J Mol Struct (THEOCHEM) 2002 ; 582: 233–249.
-
(2002)
J Mol Struct (THEOCHEM)
, vol.582
, pp. 233-249
-
-
Hudáky, I1
Baldoni, HA2
Perczel, A3
-
39
-
-
0036462496
-
Quantum mechanical study of the conformational behavior of proline and 4R‐hydroxyproline dipeptide analogues in vacuum and in aqueous solution
-
39 Benzi C, Improta R, Scalmani G, Barone V. Quantum mechanical study of the conformational behavior of proline and 4 R ‐hydroxyproline dipeptide analogues in vacuum and in aqueous solution. J Comput Chem 2002 ; 23: 341–350.
-
(2002)
J Comput Chem
, vol.23
, pp. 341-350
-
-
Benzi, C1
Improta, R2
Scalmani, G3
Barone, V4
-
40
-
-
15744402960
-
First principle computational study on the full conformational space of L‐proline diamides
-
40 Sahai MA, Kehoe TAK, Koo JCP, Setiadi DH, Chass GA, Viskolcz B, Penke B, Pai EF, Csizmadia IG. First principle computational study on the full conformational space of L ‐proline diamides. J Phys Chem A 2005 ; 109: 2660–2679.
-
(2005)
J Phys Chem A
, vol.109
, pp. 2660-2679
-
-
Sahai, MA1
Kehoe, TAK2
Koo, JCP3
Setiadi, DH4
Chass, GA5
Viskolcz, B6
Penke, B7
Pai, EF8
Csizmadia, IG9
-
41
-
-
84962446557
-
Determination of the potentials of mean force for rotation about CαCα virtual bonds in polypeptides from the ab initio energy surfaces of terminally blocked glycine, alanine, and proline
-
41 Oldziej S, Kozlovska U, Liwo A, Scheraga HA. Determination of the potentials of mean force for rotation about C α C α virtual bonds in polypeptides from the ab initio energy surfaces of terminally blocked glycine, alanine, and proline. J Phys Chem 2003 ; 107: 8035–8046.
-
(2003)
J Phys Chem
, vol.107
, pp. 8035-8046
-
-
Oldziej, S1
Kozlovska, U2
Liwo, A3
Scheraga, HA4
-
43
-
-
0038292973
-
Peptide Models. 1. Topology of selected peptide conformational potential‐energy surfaces (glycine and alanine derivatives)
-
43 Perczel A, Ángyán JG, Kajtár M, Viviani W, Rivail J‐L, Marcoccia JF, Csizmadia IG. Peptide Models. 1. Topology of selected peptide conformational potential‐energy surfaces (glycine and alanine derivatives). J Am Chem Soc 1991 ; 113: 6256–6265.
-
(1991)
J Am Chem Soc
, vol.113
, pp. 6256-6265
-
-
Perczel, A1
Ángyán, JG2
Kajtár, M3
Viviani, W4
Rivail, J‐L5
Marcoccia, JF6
Csizmadia, IG7
-
44
-
-
0038506965
-
Ab initio analysis of the conformational changes of the prolylproline model peptide
-
44 Hudáky I, Perczel A. Ab initio analysis of the conformational changes of the prolylproline model peptide. J Mol Struct (THEOCHEM) 2003 ; 630: 135–140.
-
(2003)
J Mol Struct (THEOCHEM)
, vol.630
, pp. 135-140
-
-
Hudáky, I1
Perczel, A2
-
45
-
-
0027080914
-
Pyrrolidine ring puckering in cis and trans‐proline residues in proteins and polypeptides
-
45 Milner‐White EJ, Bell LH, Maccallum PH. Pyrrolidine ring puckering in cis and trans‐proline residues in proteins and polypeptides. J Mol Biol 1992 ; 228: 725–734.
-
(1992)
J Mol Biol
, vol.228
, pp. 725-734
-
-
Milner‐White, EJ1
Bell, LH2
Maccallum, PH3
-
47
-
-
0025113022
-
β‐Turns and their distortions: a proposed new nomenclature
-
47 Wilmot CM, Thornton JM. β‐Turns and their distortions: a proposed new nomenclature. Protein Eng 1990 ; 3: 479–493.
-
(1990)
Protein Eng
, vol.3
, pp. 479-493
-
-
Wilmot, CM1
Thornton, JM2
-
48
-
-
0040154253
-
Peptide models 6. New beta‐turn conformations from ab initio calculations confirmed by X‐ray data of proteins
-
48 Perczel A, Mcallister MA, Csaszar P, Csizmadia IG. Peptide models 6. New beta‐turn conformations from ab initio calculations confirmed by X‐ray data of proteins. J Am Chem Soc 1993 ; 115: 4849–4858.
-
(1993)
J Am Chem Soc
, vol.115
, pp. 4849-4858
-
-
Perczel, A1
Mcallister, MA2
Csaszar, P3
Csizmadia, IG4
-
49
-
-
0000123690
-
Peptide models 9. A complete conformational set of For–Ala–Ala–NH2 from ab inito computations
-
49 Perczel A, McAlister MA, Császár P, Csizmadia IG. Peptide models 9. A complete conformational set of For–Ala–Ala–NH 2 from ab inito computations. Can J Chem 1994 ; 72: 2050–2070.
-
(1994)
Can J Chem
, vol.72
, pp. 2050-2070
-
-
Perczel, A1
McAlister, MA2
Császár, P3
Csizmadia, IG4
-
50
-
-
0004133516
-
Gaussian 98, Revision A.1.
-
50 Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Zakrzewski VG, Montgomery JA, Stratmann RE, Burant JC, Dapprich S, Millam JM, Daniels AD, Kudin KN, Strain MC, Farkas O, Tomasi J, Barone V, Cossi M, Cammi R, Mennucci B, Pomelli C, Adamo C, Clifford S, Ochterski J, Petersson GA, Ayala PY, Cui Q, Morokuma K, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Cioslowski J, Ortiz JV, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Gomperts R, Martin RL, Fox DJ, Keith T, Al‐Laham MA, Peng CY, Nanayakkara A, Gonzalez C, Challacombe M, Gill PMW, Johnson BG, Chen W, Wong MW, Andres JL, Head‐Gordon M, Replogle ES Pople JA. Gaussian 98, Revision A.1. Pittsburgh PA: Gaussian, Inc. ; 1998.
-
(1998)
-
-
Frisch, MJ1
Trucks, GW2
Schlegel, HB3
Scuseria, GE4
Robb, MA5
Cheeseman, JR6
Zakrzewski, VG7
Montgomery, JA8
Stratmann, RE9
Burant, JC10
Dapprich, S11
Millam, JM12
Daniels, AD13
Kudin, KN14
Strain, MC15
Farkas, O16
Tomasi, J17
Barone, V18
Cossi, M19
Cammi, R20
Mennucci, B21
Pomelli, C22
Adamo, C23
Clifford, S24
Ochterski, J25
Petersson, GA26
Ayala, PY27
Cui, Q28
Morokuma, K29
Malick, DK30
Rabuck, AD31
Raghavachari, K32
Foresman, JB33
Cioslowski, J34
Ortiz, JV35
Stefanov, BB36
Liu, G37
Liashenko, A38
Piskorz, P39
Komaromi, I40
Gomperts, R41
Martin, RL42
Fox, DJ43
Keith, T44
Al‐Laham, MA45
Peng, CY46
Nanayakkara, A47
Gonzalez, C48
Challacombe, M49
Gill, PMW50
Johnson, BG51
Chen, W52
Wong, MW53
Andres, JL54
Head‐Gordon, M55
Replogle ES Pople, JA56
more..
-
51
-
-
84986524957
-
Convergence acceleration of iterative sequences—the case of SCF iteration
-
51 Pulay P. Convergence acceleration of iterative sequences—the case of SCF iteration. Chem Phys Lett 1980 ; 73: 393–398.
-
(1980)
Chem Phys Lett
, vol.73
, pp. 393-398
-
-
Pulay, P1
-
52
-
-
44349162071
-
Improved SCF convergence acceleration
-
52 Pulay P. Improved SCF convergence acceleration. J Comput Chem 1982 ; 3: 556–560.
-
(1982)
J Comput Chem
, vol.3
, pp. 556-560
-
-
Pulay, P1
-
53
-
-
0002077637
-
Geometry optimization by direct inversion in the iterative subspace
-
53 Császár P, Pulay P. Geometry optimization by direct inversion in the iterative subspace. J Mol Struct (THEOCHEM) 1984 ; 114: 31–34.
-
(1984)
J Mol Struct (THEOCHEM)
, vol.114
, pp. 31-34
-
-
Császár, P1
Pulay, P2
-
54
-
-
0036144974
-
Methods for optimizing large molecules—Part III. An improved algorithm for geometry optimization using direct inversion in the iterative subspace (GDIIS)
-
54 Farkas Ö, Schlegel B. Methods for optimizing large molecules—Part III. An improved algorithm for geometry optimization using direct inversion in the iterative subspace (GDIIS). Phys Chem Chem Phys Lett 2002 ; 4: 11–15.
-
(2002)
Phys Chem Chem Phys Lett
, vol.4
, pp. 11-15
-
-
Farkas, Ö1
Schlegel, B2
-
55
-
-
0001752768
-
The Cambridge Structural Database: a quarter of a million crystal structures and rising
-
55 Allen FH. The Cambridge Structural Database: a quarter of a million crystal structures and rising. Acta Crystallogr B 2002 ; 58: 380–388.
-
(2002)
Acta Crystallogr B
, vol.58
, pp. 380-388
-
-
Allen, FH1
-
56
-
-
85120594095
-
-
56 http://www.chem.qmw.ac.uk/iupac/misc/ppep1.html.
-
-
-
-
57
-
-
0028205447
-
Enlarged representative set of protein structures
-
57 Hobohm U, Sander C. Enlarged representative set of protein structures. Protein Sci 1994 ; 3: 522–524.
-
(1994)
Protein Sci
, vol.3
, pp. 522-524
-
-
Hobohm, U1
Sander, C2
-
58
-
-
0025890946
-
Influence of proline residues on protein conformation
-
58 MacArthur MW, Thornton JM. Influence of proline residues on protein conformation. J Mol Biol 1991 ; 218: 397–412.
-
(1991)
J Mol Biol
, vol.218
, pp. 397-412
-
-
MacArthur, MW1
Thornton, JM2
-
59
-
-
24944454358
-
The Ramachandran plots of glycine and pre‐proline
-
59 Ho BK, Brasseur R. The Ramachandran plots of glycine and pre‐proline. BMC Struct Biol 2005 ; 5: 14, and references therein.
-
(2005)
BMC Struct Biol
, vol.5
, pp. 14
-
-
Ho, BK1
Brasseur, R2
-
60
-
-
33644543406
-
Electronic control of amide cis–trans isomerism via aromatic‐prolyl interaction
-
60 Thomas KM, Naduthambi D, Zondlo NJ. Electronic control of amide cis–trans isomerism via aromatic‐prolyl interaction. J Am Chem Soc 2006 ; 128: 2216–2217.
-
(2006)
J Am Chem Soc
, vol.128
, pp. 2216-2217
-
-
Thomas, KM1
Naduthambi, D2
Zondlo, NJ3
-
61
-
-
33645730970
-
Effects of i and i+3 residue identity on cis–trans isomerism of the aromatic i+1–prolyli+2 amide bond: implications for type VI β‐turn formation
-
61 Meng HY, Thomas KM, Lee AE, Zondlo NJ. Effects of i and i +3 residue identity on cis–trans isomerism of the aromatic i +1–prolyl i +2 amide bond: implications for type VI β‐turn formation. Biopolymers 2006 ; 84: 192–204.
-
(2006)
Biopolymers
, vol.84
, pp. 192-204
-
-
Meng, HY1
Thomas, KM2
Lee, AE3
Zondlo, NJ4
-
62
-
-
4043082766
-
Solvation model induced structural changes in peptides. A quantum chemical study on Ramachandran surfaces and conformers of alanine diamide using the polarizable continuum model
-
62 Hudáky I, Hudáky P, Perczel A. Solvation model induced structural changes in peptides. A quantum chemical study on Ramachandran surfaces and conformers of alanine diamide using the polarizable continuum model. J Comput Chem 2004 ; 25: 1522–1531.
-
(2004)
J Comput Chem
, vol.25
, pp. 1522-1531
-
-
Hudáky, I1
Hudáky, P2
Perczel, A3
-
63
-
-
1242290405
-
Crystal structure of cyclo‐(Gly–L‐Pro–L‐Pro–Gly–L‐Pro–L‐Pro) trihydrate. Unusual conformational characteristics of a cyclic hexapeptide
-
63 Czugler M, Sasvári K, Hollósi M. Crystal structure of cyclo‐(Gly–L ‐Pro–L ‐Pro–Gly–L ‐Pro–L ‐Pro) trihydrate. Unusual conformational characteristics of a cyclic hexapeptide. J Am Chem Soc 1982 ; 104: 4465–4469.
-
(1982)
J Am Chem Soc
, vol.104
, pp. 4465-4469
-
-
Czugler, M1
Sasvári, K2
Hollósi, M3
-
64
-
-
85120587899
-
-
64 Fuess H, Bats J.W. Am Cryst Assoc, Abstr Papers (Summer), 1983 ; 29.
-
(1983)
, pp. 29
-
-
Fuess, H1
Bats, J.W2
-
65
-
-
24844463012
-
Structure of cyclo(–L‐Pro–L‐Pro–Gly–L‐Pro–L‐Leu–Gly–) methanol molvate monohydrate, C25H38N6O6.CH3OH.H2O
-
65 Nakashima T, Yamane T, Tanaka I, Ashida T. Structure of cyclo(–L ‐Pro–L ‐Pro–Gly–L ‐Pro–L ‐Leu–Gly–) methanol molvate monohydrate, C 25 H 38 N 6 O 6.CH 3 OH.H 2 O. Acta Crystallogr C 1984 ; 40: 171–174.
-
(1984)
Acta Crystallogr C
, vol.40
, pp. 171-174
-
-
Nakashima, T1
Yamane, T2
Tanaka, I3
Ashida, T4
-
66
-
-
0038650995
-
Relative stability of major types of beta‐turns as a function of amino acid composition: a study based on ab initio energetic and natural abundance data
-
66 Perczel A, Jákli I, McAllister MA, Csizmadia I.G. Relative stability of major types of beta‐turns as a function of amino acid composition: a study based on ab initio energetic and natural abundance data. Chem‐Eur J 2003 ; 9: 2551–2566.
-
(2003)
Chem‐Eur J
, vol.9
, pp. 2551-2566
-
-
Perczel, A1
Jákli, I2
McAllister, MA3
Csizmadia, I.G4
-
67
-
-
0027474991
-
Left‐handed polyproline II helices commonly occur in globular proteins
-
67 Adzhubei AA, Sternberg MJE. Left‐handed polyproline II helices commonly occur in globular proteins. J Mol Biol 1993 ; 229: 472–493.
-
(1993)
J Mol Biol
, vol.229
, pp. 472-493
-
-
Adzhubei, AA1
Sternberg, MJE2
-
68
-
-
12944281484
-
On the stability of polyproline‐I and II structures of proline oligopeptides
-
68 Kakinoki S, Hirano Y, Oka M. On the stability of polyproline‐I and II structures of proline oligopeptides. Polym Bull 2005 ; 53: 109–115.
-
(2005)
Polym Bull
, vol.53
, pp. 109-115
-
-
Kakinoki, S1
Hirano, Y2
Oka, M3
-
69
-
-
0035045552
-
Structural bases of collagen stabilization induced by proline hydroxilation
-
69 Vitagliano L, Berisio R, Mazzarella L, Zagari A. Structural bases of collagen stabilization induced by proline hydroxilation. Biopolymers 2001 ; 58: 459–464.
-
(2001)
Biopolymers
, vol.58
, pp. 459-464
-
-
Vitagliano, L1
Berisio, R2
Mazzarella, L3
Zagari, A4
|