-
2
-
-
0038161052
-
Protein–protein docking with simultaneous optimization of rigid-body displacement and side-chain conformations
-
Gray JJ, Moughon S, Wang C, Schueler-Furman O, Kuhlman B, Rohl CA, Baker D. Protein–protein docking with simultaneous optimization of rigid-body displacement and side-chain conformations. J Mol Biol 2003;331:281–299.
-
(2003)
J Mol Biol
, vol.331
, pp. 281-299
-
-
Gray, J.J.1
Moughon, S.2
Wang, C.3
Schueler-Furman, O.4
Kuhlman, B.5
Rohl, C.A.6
Baker, D.7
-
3
-
-
77957966065
-
A generalized approach to sampling backbone conformations with RosettaDock for CAPRI rounds 13-19
-
Sircar A, Chaudhury S, Kilambi KP, Berrondo M, Gray JJ. A generalized approach to sampling backbone conformations with RosettaDock for CAPRI rounds 13-19. Proteins 2010;78:3115–3123.
-
(2010)
Proteins
, vol.78
, pp. 3115-3123
-
-
Sircar, A.1
Chaudhury, S.2
Kilambi, K.P.3
Berrondo, M.4
Gray, J.J.5
-
4
-
-
48449094112
-
Conformer selection and induced fit in flexible backbone protein–protein docking using computational and NMR ensembles
-
Chaudhury S, Gray JJ. Conformer selection and induced fit in flexible backbone protein–protein docking using computational and NMR ensembles. J Mol Biol 2008;381:1068–1087.
-
(2008)
J Mol Biol
, vol.381
, pp. 1068-1087
-
-
Chaudhury, S.1
Gray, J.J.2
-
5
-
-
76749153896
-
SnugDock: paratope structural optimization during antibody-antigen docking compensates for errors in antibody homology models
-
Sircar A, Gray JJ. SnugDock: paratope structural optimization during antibody-antigen docking compensates for errors in antibody homology models. PLoS Comput Biol 2010;6:e1000644.
-
(2010)
PLoS Comput Biol
, vol.6
-
-
Sircar, A.1
Gray, J.J.2
-
6
-
-
84888308467
-
Extending RosettaDock with water, sugar, and pH for prediction of complex structures and affinities for CAPRI rounds 20–27
-
Kilambi KP, Pacella MS, Xu J, Labonte JW, Porter JR, Muthu P, Drew K, Kuroda D, Schueler-Furman O, Bonneau R, Gray JJ. Extending RosettaDock with water, sugar, and pH for prediction of complex structures and affinities for CAPRI rounds 20–27. Proteins 2013;81:2201–2209.
-
(2013)
Proteins
, vol.81
, pp. 2201-2209
-
-
Kilambi, K.P.1
Pacella, M.S.2
Xu, J.3
Labonte, J.W.4
Porter, J.R.5
Muthu, P.6
Drew, K.7
Kuroda, D.8
Schueler-Furman, O.9
Bonneau, R.10
Gray, J.J.11
-
7
-
-
33645961330
-
Flexible protein-protein docking
-
Bonvin AM. Flexible protein-protein docking. Curr Opin Struct Biol 2006;16:194–200.
-
(2006)
Curr Opin Struct Biol
, vol.16
, pp. 194-200
-
-
Bonvin, A.M.1
-
8
-
-
84989824723
-
Pushing the backbone in protein-protein docking
-
In Press
-
Kuroda D, Gray JJ. Pushing the backbone in protein-protein docking. Structure 2016. In Press.
-
(2016)
Structure
-
-
Kuroda, D.1
Gray, J.J.2
-
9
-
-
84973338605
-
Prediction of homo- and hetero-protein complexes by protein docking and template-based modeling: a CASP-CAPRI experiment
-
Lensink MF, Velankar S, Kryshtafovych A, Huang SY, Schneidman-Duhovny D, Sali A, Segura J, Fernandez-Fuentes N, Viswanath S, Elber R, Grudinin S, Popov P, Neveu E, Lee H, Baek M, Park S, Heo L, Rie Lee G, Seok C, Qin S, Zhou HX, Ritchie DW, Maigret B, Devignes MD, Ghoorah A, Torchala M, Chaleil RAG, Bates PA, Ben-Zeev E, Eisenstein M, Negi SS, Weng Z, Vreven T, Pierce BG, Borrman TM, Yu J, Ochsenbein F, Guerois R, Vangone A, Rodrigues JPGLM, van Zundert G, Nellen M, Xue L, Karaca E, Melquiond ASJ, Visscher K, Kastritis PL, Bonvin AMJJ, Xu X, Qiu L, Yan C, Li J, Ma Z, Cheng J, Zou X, Shen Y, Peterson LX, Kim HR, Roy A, Han X, Esquivel-Rodriguez J, Kihara D, Yu X, Bruce NJ, Fuller JC, Wade RC, Anishchenko I, Kundrotas PJ, Vakser IA, Imai K, Yamada K, Oda T, Nakamura T, Tomii K, Pallara C, Romero-Durana M, Jiménez-García B, Moal IH, Férnandez-Recio J, Joung JY, Kim JY, Joo K, Lee J, Kozakov D, Vajda S, Mottarella S, Hall DR, Beglov D, Mamonov A, Xia B, Bohnuud T, Del Carpio CA, Ichiishi E, Marze N, Kuroda D, Roy Burman SS, Gray JJ, Chermak E, Cavallo L, Oliva R, Tovchigrechko A, Wodak SJ. Prediction of homo- and hetero-protein complexes by protein docking and template-based modeling: a CASP-CAPRI experiment. Proteins 2016;84:323–348.
-
(2016)
Proteins
, vol.84
, pp. 323-348
-
-
Lensink, M.F.1
Velankar, S.2
Kryshtafovych, A.3
Huang, S.Y.4
Schneidman-Duhovny, D.5
Sali, A.6
Segura, J.7
Fernandez-Fuentes, N.8
Viswanath, S.9
Elber, R.10
Grudinin, S.11
Popov, P.12
Neveu, E.13
Lee, H.14
Baek, M.15
Park, S.16
Heo, L.17
Rie Lee, G.18
Seok, C.19
Qin, S.20
Zhou, H.X.21
Ritchie, D.W.22
Maigret, B.23
Devignes, M.D.24
Ghoorah, A.25
Torchala, M.26
Chaleil, R.A.G.27
Bates, P.A.28
Ben-Zeev, E.29
Eisenstein, M.30
Negi, S.S.31
Weng, Z.32
Vreven, T.33
Pierce, B.G.34
Borrman, T.M.35
Yu, J.36
Ochsenbein, F.37
Guerois, R.38
Vangone, A.39
Rodrigues, J.P.G.L.M.40
van Zundert, G.41
Nellen, M.42
Xue, L.43
Karaca, E.44
Melquiond, A.S.J.45
Visscher, K.46
Kastritis, P.L.47
Bonvin, A.M.J.J.48
Xu, X.49
Qiu, L.50
Yan, C.51
Li, J.52
Ma, Z.53
Cheng, J.54
Zou, X.55
Shen, Y.56
Peterson, L.X.57
Kim, H.R.58
Roy, A.59
Han, X.60
Esquivel-Rodriguez, J.61
Kihara, D.62
Yu, X.63
Bruce, N.J.64
Fuller, J.C.65
Wade, R.C.66
Anishchenko, I.67
Kundrotas, P.J.68
Vakser, I.A.69
Imai, K.70
Yamada, K.71
Oda, T.72
Nakamura, T.73
Tomii, K.74
Pallara, C.75
Romero-Durana, M.76
Jiménez-García, B.77
Moal, I.H.78
Férnandez-Recio, J.79
Joung, J.Y.80
Kim, J.Y.81
Joo, K.82
Lee, J.83
Kozakov, D.84
Vajda, S.85
Mottarella, S.86
Hall, D.R.87
Beglov, D.88
Mamonov, A.89
Xia, B.90
Bohnuud, T.91
Del Carpio, C.A.92
Ichiishi, E.93
Marze, N.94
Kuroda, D.95
Roy Burman, S.S.96
Gray, J.J.97
Chermak, E.98
Cavallo, L.99
Oliva, R.100
Tovchigrechko, A.101
Wodak, S.J.102
more..
-
11
-
-
0037207108
-
-
Green Fluorescent Protein Variants as Ratiometric Dual Emission pH Sensors. 1. Structural Characterization and Preliminary Application. Biochemistry 2002;4115477–15488. <, >
-
Hanson GT, Mcananey TB, Park ES, Rendell MEP, Yarbrough DK, Chu S, Xi L, Boxer SG, Montrose MH, Remington SJ. Green Fluorescent Protein Variants as Ratiometric Dual Emission pH Sensors. 1. Structural Characterization and Preliminary Application. Biochemistry 2002;41:15477–15488. Available at
-
-
-
Hanson, G.T.1
Mcananey, T.B.2
Park, E.S.3
Rendell, M.E.P.4
Yarbrough, D.K.5
Chu, S.6
Xi, L.7
Boxer, S.G.8
Montrose, M.H.9
Remington, S.J.10
-
12
-
-
0034641749
-
Native protein sequences are close to optimal for their structures
-
Kuhlman B, Baker D. Native protein sequences are close to optimal for their structures. Proc Natl Acad Sci 2000;97:10383–10388.
-
(2000)
Proc Natl Acad Sci
, vol.97
, pp. 10383-10388
-
-
Kuhlman, B.1
Baker, D.2
-
13
-
-
78650905964
-
Rosetta3: an object-oriented software suite for the simulation and design of macromolecules
-
Leaver-Fay A, Tyka M, Lewis SM, Lange OF, Thompson J, Jacak R, Kaufman K, Renfrew PD, Smith CA, Sheffler W, Davis IW, Cooper S, Treuille A, Mandell DJ, Richter F, Ban YEA, Fleishman SJ, Corn JE, Kim DE, Lyskov S, Berrondo M, Mentzer S, Popović Z, Havranek JJ, Karanicolas J, Das R, Meiler J, Kortemme T, Gray JJ, Kuhlman B, Baker D, Bradley P. Rosetta3: an object-oriented software suite for the simulation and design of macromolecules. Methods Enzymol 2011;487:545–574.
-
(2011)
Methods Enzymol
, vol.487
, pp. 545-574
-
-
Leaver-Fay, A.1
Tyka, M.2
Lewis, S.M.3
Lange, O.F.4
Thompson, J.5
Jacak, R.6
Kaufman, K.7
Renfrew, P.D.8
Smith, C.A.9
Sheffler, W.10
Davis, I.W.11
Cooper, S.12
Treuille, A.13
Mandell, D.J.14
Richter, F.15
Ban, Y.E.A.16
Fleishman, S.J.17
Corn, J.E.18
Kim, D.E.19
Lyskov, S.20
Berrondo, M.21
Mentzer, S.22
Popović, Z.23
Havranek, J.J.24
Karanicolas, J.25
Das, R.26
Meiler, J.27
Kortemme, T.28
Gray, J.J.29
Kuhlman, B.30
Baker, D.31
Bradley, P.32
more..
-
14
-
-
78349304669
-
Design, production and molecular structure of a new family of artificial alpha-helicoidal repeat proteins (αRep) based on thermostable heat-like repeats
-
Urvoas A, Guellouz A, Valerio-Lepiniec M, Graille M, Durand D, Desravines DC, van Tilbeurgh H, Desmadril M, Minard P. Design, production and molecular structure of a new family of artificial alpha-helicoidal repeat proteins (αRep) based on thermostable heat-like repeats. J Mol Biol 2010;404:307–327.
-
(2010)
J Mol Biol
, vol.404
, pp. 307-327
-
-
Urvoas, A.1
Guellouz, A.2
Valerio-Lepiniec, M.3
Graille, M.4
Durand, D.5
Desravines, D.C.6
van Tilbeurgh, H.7
Desmadril, M.8
Minard, P.9
-
15
-
-
24944493938
-
Toward high-resolution de novo structure prediction for small proteins
-
Bradley P, Misura KMS, Baker D. Toward high-resolution de novo structure prediction for small proteins. Science 2005;309:1868–1871.
-
(2005)
Science
, vol.309
, pp. 1868-1871
-
-
Bradley, P.1
Misura, K.M.S.2
Baker, D.3
-
16
-
-
14644438345
-
Progress and challenges in high-resolution refinement of protein structure models
-
Misura KMS, Baker D. Progress and challenges in high-resolution refinement of protein structure models. Proteins Struct Funct Genet 2005;59:15–29.
-
(2005)
Proteins Struct Funct Genet
, vol.59
, pp. 15-29
-
-
Misura, K.M.S.1
Baker, D.2
-
17
-
-
17344380633
-
ICM-DISCO docking by global energy optimization with fully flexible side-chains
-
Fernández-Recio J, Totrov M, Abagyan R. ICM-DISCO docking by global energy optimization with fully flexible side-chains. Proteins 2003;52:113–117.
-
(2003)
Proteins
, vol.52
, pp. 113-117
-
-
Fernández-Recio, J.1
Totrov, M.2
Abagyan, R.3
-
18
-
-
1542390499
-
Identification of protein–protein interaction sites from docking energy landscapes
-
Fernández-Recio J, Totrov M, Abagyan R. Identification of protein–protein interaction sites from docking energy landscapes. J Mol Biol 2004;335:843–865.
-
(2004)
J Mol Biol
, vol.335
, pp. 843-865
-
-
Fernández-Recio, J.1
Totrov, M.2
Abagyan, R.3
-
20
-
-
84966333727
-
De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity
-
Boyken SE, Chen Z, Groves B, Langan RA, Oberdorfer G, Ford A, Gilmore JM, Xu C, DiMaio F, Pereira JH, Sankaran B, Seelig G, Zwart PH, Baker D. De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity. Science 2016;352:680–687.
-
(2016)
Science
, vol.352
, pp. 680-687
-
-
Boyken, S.E.1
Chen, Z.2
Groves, B.3
Langan, R.A.4
Oberdorfer, G.5
Ford, A.6
Gilmore, J.M.7
Xu, C.8
DiMaio, F.9
Pereira, J.H.10
Sankaran, B.11
Seelig, G.12
Zwart, P.H.13
Baker, D.14
-
21
-
-
74549178560
-
MolProbity: all-atom structure validation for macromolecular crystallography
-
Chen VB, Arendall WB, Headd JJ, Keedy DA, Immormino RM, Kapral GJ, Murray LW, Richardson JS, Richardson DC. MolProbity: all-atom structure validation for macromolecular crystallography. Acta Crystallogr Sect D Biol Crystallogr 2010;66:12–21.
-
(2010)
Acta Crystallogr Sect D Biol Crystallogr
, vol.66
, pp. 12-21
-
-
Chen, V.B.1
Arendall, W.B.2
Headd, J.J.3
Keedy, D.A.4
Immormino, R.M.5
Kapral, G.J.6
Murray, L.W.7
Richardson, J.S.8
Richardson, D.C.9
-
22
-
-
80155198826
-
Recognition of UbcH5c and the nucleosome by the Bmi1/Ring1b ubiquitin ligase complex
-
Bentley ML, Corn JE, Dong KC, Phung Q, Cheung TK, Cochran AG. Recognition of UbcH5c and the nucleosome by the Bmi1/Ring1b ubiquitin ligase complex. EMBO J 2011;30:3285–3297.
-
(2011)
EMBO J
, vol.30
, pp. 3285-3297
-
-
Bentley, M.L.1
Corn, J.E.2
Dong, K.C.3
Phung, Q.4
Cheung, T.K.5
Cochran, A.G.6
-
23
-
-
77957252758
-
Crystal structures of nucleosome core particles containing the ‘601’ strong positioning sequence
-
1–10
-
Vasudevan D, Chua EYD, Davey CA. Crystal structures of nucleosome core particles containing the ‘601’ strong positioning sequence. J Mol Biol 2010;403:1–10.
-
(2010)
J Mol Biol
, vol.403
-
-
Vasudevan, D.1
Chua, E.Y.D.2
Davey, C.A.3
-
24
-
-
70450218366
-
Rapid E2-E3 assembly and disassembly enable processive ubiquitylation of cullin-RING ubiquitin ligase substrates
-
Kleiger G, Saha A, Lewis S, Kuhlman B, Deshaies RJ. Rapid E2-E3 assembly and disassembly enable processive ubiquitylation of cullin-RING ubiquitin ligase substrates. Cell 2009;139:957–968.
-
(2009)
Cell
, vol.139
, pp. 957-968
-
-
Kleiger, G.1
Saha, A.2
Lewis, S.3
Kuhlman, B.4
Deshaies, R.J.5
-
25
-
-
0032825215
-
Crystal structure of hemopexin reveals a novel high-affinity heme siteformed between two |[beta]|-propeller domains
-
Baker EN, Paoli M, Anderson BF, Baker HM, Morgan WT, Smith A. Crystal structure of hemopexin reveals a novel high-affinity heme siteformed between two |[beta]|-propeller domains. Nat Struct Biol 1999;6:926–931.
-
(1999)
Nat Struct Biol
, vol.6
, pp. 926-931
-
-
Baker, E.N.1
Paoli, M.2
Anderson, B.F.3
Baker, H.M.4
Morgan, W.T.5
Smith, A.6
-
27
-
-
0345832301
-
ClusPro: an automated docking and discrimination method for the prediction of protein complexes
-
Comeau SR, Gatchell DW, Vajda S, Camacho CJ. ClusPro: an automated docking and discrimination method for the prediction of protein complexes. Bioinformatics 2004;20:45–50.
-
(2004)
Bioinformatics
, vol.20
, pp. 45-50
-
-
Comeau, S.R.1
Gatchell, D.W.2
Vajda, S.3
Camacho, C.J.4
-
29
-
-
84888295075
-
How good is automated protein docking?
-
Kozakov D, Beglov D, Bohnuud T, Mottarella SE, Xia B, Hall DR, Vajda S. How good is automated protein docking? Proteins 2013;81:2159–2166.
-
(2013)
Proteins
, vol.81
, pp. 2159-2166
-
-
Kozakov, D.1
Beglov, D.2
Bohnuud, T.3
Mottarella, S.E.4
Xia, B.5
Hall, D.R.6
Vajda, S.7
-
30
-
-
0037406075
-
Cyclic coordinate descent: a robotics algorithm for protein loop closure
-
Canutescu AA, Dunbrack RL. Cyclic coordinate descent: a robotics algorithm for protein loop closure. Protein Sci 2003;12:963–972.
-
(2003)
Protein Sci
, vol.12
, pp. 963-972
-
-
Canutescu, A.A.1
Dunbrack, R.L.2
-
31
-
-
34548861782
-
Protein–protein docking with backbone flexibility
-
Wang C, Bradley P, Baker D. Protein–protein docking with backbone flexibility. J Mol Biol 2007;373:503–519.
-
(2007)
J Mol Biol
, vol.373
, pp. 503-519
-
-
Wang, C.1
Bradley, P.2
Baker, D.3
-
33
-
-
85023202760
-
-
Comparative protein structure modeling using MODELLER
-
Webb B, Sali A. Comparative protein structure modeling using MODELLER. Curr. Protoc. Bioinform. 2016;54:5.6.1–5.6.37.
-
(2016)
Curr. Protoc. Bioinform.
, vol.54
, pp. 5.6.1-5.6.37
-
-
Webb, B.1
Sali, A.2
-
34
-
-
84864802453
-
A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen
-
Sheng Y, Hong JH, Doherty R, Srikumar T, Shloush J, Avvakumov GV, Walker JR, Xue S, Neculai D, Wan JW, Kim SK, Arrowsmith CH, Raught B, Dhe-Paganon S. A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen. Mol Cell Proteomics 2012;11:329–341.
-
(2012)
Mol Cell Proteomics
, vol.11
, pp. 329-341
-
-
Sheng, Y.1
Hong, J.H.2
Doherty, R.3
Srikumar, T.4
Shloush, J.5
Avvakumov, G.V.6
Walker, J.R.7
Xue, S.8
Neculai, D.9
Wan, J.W.10
Kim, S.K.11
Arrowsmith, C.H.12
Raught, B.13
Dhe-Paganon, S.14
-
35
-
-
84879390723
-
The linear ubiquitin-specific deubiquitinase gumby regulates angiogenesis
-
Rivkin E, Almeida SM, Ceccarelli DF, Juang Y-C, MacLean TA, Srikumar T, Huang H, Dunham WH, Fukumura R, Xie G, Gondo Y, Raught B, Gingras A-C, Sicheri F, Cordes SP. The linear ubiquitin-specific deubiquitinase gumby regulates angiogenesis. Nature 2013;498:318–324.
-
(2013)
Nature
, vol.498
, pp. 318-324
-
-
Rivkin, E.1
Almeida, S.M.2
Ceccarelli, D.F.3
Juang, Y.-C.4
MacLean, T.A.5
Srikumar, T.6
Huang, H.7
Dunham, W.H.8
Fukumura, R.9
Xie, G.10
Gondo, Y.11
Raught, B.12
Gingras, A.-C.13
Sicheri, F.14
Cordes, S.P.15
-
36
-
-
10744233704
-
Solution structure of ribosomal protein S28E from Methanobacterium thermoautotrophicum
-
Wu B, Yee A, Pineda-Lucena A, Semesi A, Ramelot TA, Cort JR, Jung J-W, Edwards A, Lee W, Kennedy M, Arrowsmith CH. Solution structure of ribosomal protein S28E from Methanobacterium thermoautotrophicum. Protein Sci 2003;12:2831–2837.
-
(2003)
Protein Sci
, vol.12
, pp. 2831-2837
-
-
Wu, B.1
Yee, A.2
Pineda-Lucena, A.3
Semesi, A.4
Ramelot, T.A.5
Cort, J.R.6
Jung, J.-W.7
Edwards, A.8
Lee, W.9
Kennedy, M.10
Arrowsmith, C.H.11
-
37
-
-
84857192910
-
The structural basis of Edc3- and Scd6-mediated activation of the Dcp1:Dcp2 mRNA decapping complex
-
Fromm SA, Truffault V, Kamenz J, Braun JE, Hoffmann NA, Izaurralde E, Sprangers R. The structural basis of Edc3- and Scd6-mediated activation of the Dcp1:Dcp2 mRNA decapping complex. EMBO J 2012;31:279–290.
-
(2012)
EMBO J
, vol.31
, pp. 279-290
-
-
Fromm, S.A.1
Truffault, V.2
Kamenz, J.3
Braun, J.E.4
Hoffmann, N.A.5
Izaurralde, E.6
Sprangers, R.7
|