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1QP6
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BU of 1qp6 by Molmil
SOLUTION STRUCTURE OF ALPHA2D
Descriptor: PROTEIN (ALPHA2D)
Authors:Hill, R.B, DeGrado, W.F.
Deposit date:1999-06-01
Release date:1999-06-09
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution Structure of Alpha2D, A Nativelike De Novo Designed Protein
J.Am.Chem.Soc., 120, 1998
4ZV6
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BU of 4zv6 by Molmil
Crystal structure of the artificial alpharep-7 octarellinV.1 complex
Descriptor: AlphaRep-7, Octarellin V.1
Authors:Figueroa, M, Sleutel, M, Urvoas, A, Valerio-Lepiniec, M, Minard, P, Martial, J.A, van de Weerdt, C.
Deposit date:2015-05-18
Release date:2016-05-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:The unexpected structure of the designed protein Octarellin V.1 forms a challenge for protein structure prediction tools.
J.Struct.Biol., 195, 2016
7BPL
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BU of 7bpl by Molmil
Solution NMR structure of NF1; de novo designed protein with a novel fold
Descriptor: NF1
Authors:Kobayashi, N, Sugiki, T, Fujiwara, T, Minami, S, Koga, R, Chikenji, G, Koga, N.
Deposit date:2020-03-23
Release date:2021-03-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Exploration of novel alpha-beta-protein folds through de novo design
Nat.Struct.Mol.Biol., 2023
3Q9U
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BU of 3q9u by Molmil
In silico and in vitro co-evolution of a high affinity complementary protein-protein interface
Descriptor: COENZYME A, CoA binding protein, consensus ankyrin repeat
Authors:Karanicolas, J, Corn, J.E, Chen, I, Joachimiak, L.A, Dym, O, Chung, S, Albeck, S, Unger, T, Hu, W, Liu, G, Delbecq, S, Montelione, G.T, Spiegel, C, Liu, D, Baker, D, Israel Structural Proteomics Center (ISPC)
Deposit date:2011-01-10
Release date:2011-04-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A de novo protein binding pair by computational design and directed evolution.
Mol.Cell, 42, 2011
3Q9N
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BU of 3q9n by Molmil
In silico and in vitro co-evolution of a high affinity complementary protein-protein interface
Descriptor: CARBAMOYL SARCOSINE, COENZYME A, CoA binding protein, ...
Authors:Karanicolas, J, Corn, J.E, Chen, I, Joachimiak, L.A, Dym, O, Chung, S, Albeck, S, Unger, T, Hu, W, Liu, G, Delbecq, S, Montelione, G.T, Spiegel, C, Liu, D, Baker, D, Israel Structural Proteomics Center (ISPC)
Deposit date:2011-01-09
Release date:2011-04-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:A de novo protein binding pair by computational design and directed evolution.
Mol.Cell, 42, 2011
3QA9
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BU of 3qa9 by Molmil
Crystal Structure of Prb (PH1109 protein redesigned for binding)
Descriptor: CoA binding domain protein
Authors:Spiegel, P.C.
Deposit date:2011-01-10
Release date:2011-04-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A de novo protein binding pair by computational design and directed evolution.
Mol.Cell, 42, 2011
4QKS
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BU of 4qks by Molmil
Crystal Structure of 6xTrp/PV2: de novo designed beta-trefoil architecture with symmetric primary structure (L22W/L44W/L64W/L85W/L108W/L132W his Primitive Version 2)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DE NOVO PROTEIN 6XTRP/PV2, SULFATE ION
Authors:Longo, L.M, Tenorio, C.A, Blaber, M.
Deposit date:2014-06-09
Release date:2015-01-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A single aromatic core mutation converts a designed "primitive" protein from halophile to mesophile folding.
Protein Sci., 24, 2015
7BQC
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BU of 7bqc by Molmil
Solution NMR structure of NF4; de novo designed protein with a novel fold
Descriptor: NF4
Authors:Kobayashi, N, Nagashima, T, Minami, S, Koga, R, Chikenji, T, Koga, N.
Deposit date:2020-03-24
Release date:2021-03-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Exploration of novel alpha-beta-protein folds through de novo design
Nat.Struct.Mol.Biol., 2023
7BQB
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BU of 7bqb by Molmil
Solution NMR structure of NF6; de novo designed protein with a novel fold
Descriptor: NF6
Authors:Kobayashi, N, Nagashima, T, Minami, S, Koga, R, Chikenji, G, Koga, N.
Deposit date:2020-03-24
Release date:2021-03-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Exploration of novel alpha-beta-protein folds through de novo design
Nat.Struct.Mol.Biol., 2023
7A4Y
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BU of 7a4y by Molmil
Crystal structure of the P5P6 coiled-coil in complex with nanobody Nb34.
Descriptor: 1,2-ETHANEDIOL, Coiled-coil P5 peptide, Coiled-coil P6 peptide, ...
Authors:Hadzi, S.
Deposit date:2020-08-20
Release date:2021-05-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.157 Å)
Cite:A nanobody toolbox targeting dimeric coiled-coil modules for functionalization of designed protein origami structures.
Proc.Natl.Acad.Sci.USA, 118, 2021
7A4T
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BU of 7a4t by Molmil
Crystal structure of the GCN coiled-coil in complex with nanobody Nb39
Descriptor: 1,2-ETHANEDIOL, ACETYL GROUP, GCN4 isoform 1, ...
Authors:Hadzi, S.
Deposit date:2020-08-20
Release date:2021-05-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.124 Å)
Cite:A nanobody toolbox targeting dimeric coiled-coil modules for functionalization of designed protein origami structures.
Proc.Natl.Acad.Sci.USA, 118, 2021
7A50
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BU of 7a50 by Molmil
Crystal structure of the APH coiled-coil in complex with nanobody Nb26
Descriptor: 1,2-ETHANEDIOL, Coiled-coil APH, Nanobody Nb26
Authors:Hadzi, S.
Deposit date:2020-08-20
Release date:2021-05-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:A nanobody toolbox targeting dimeric coiled-coil modules for functionalization of designed protein origami structures.
Proc.Natl.Acad.Sci.USA, 118, 2021
7A48
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BU of 7a48 by Molmil
Crystal structure of the APH coiled-coil in complex with Nb49
Descriptor: APH colied-coil, Nanobody 49
Authors:Hadzi, S.
Deposit date:2020-08-19
Release date:2021-05-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.547 Å)
Cite:A nanobody toolbox targeting dimeric coiled-coil modules for functionalization of designed protein origami structures.
Proc.Natl.Acad.Sci.USA, 118, 2021
7A4D
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BU of 7a4d by Molmil
Crystal structure of the APH coiled-coil in complex with nanobodies Nb28 and Nb30
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, APH coiled-coil, ...
Authors:Hadzi, S.
Deposit date:2020-08-19
Release date:2021-05-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.694 Å)
Cite:A nanobody toolbox targeting dimeric coiled-coil modules for functionalization of designed protein origami structures.
Proc.Natl.Acad.Sci.USA, 118, 2021
4F2V
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BU of 4f2v by Molmil
Crystal Structure of de novo designed serine hydrolase, Northeast Structural Genomics Consortium (NESG) Target OR165
Descriptor: DI(HYDROXYETHYL)ETHER, DODECYL-ALPHA-D-MALTOSIDE, De novo designed serine hydrolase
Authors:Kuzin, A, Lew, S, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Rajagopalan, S, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-05-08
Release date:2012-05-30
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.493 Å)
Cite:Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
2K6R
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BU of 2k6r by Molmil
Protein folding on a highly rugged landscape: Experimental observation of glassy dynamics and structural frustration
Descriptor: Full Sequence Design 1 Synthetic Superstable
Authors:Sadqi, M, de Alba, E, Perez-Jimenez, R, Sanchez-Ruiz, J.M, Munoz, V.
Deposit date:2008-07-18
Release date:2009-06-16
Last modified:2016-06-08
Method:SOLUTION NMR
Cite:A designed protein as experimental model of primordial folding
Proc.Natl.Acad.Sci.USA, 106, 2009
2L69
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BU of 2l69 by Molmil
Solution NMR Structure of de novo designed protein, P-loop NTPase fold, Northeast Structural Genomics Consortium Target OR28
Descriptor: Rossmann 2x3 fold protein
Authors:Liu, G, Koga, N, Koga, R, Xiao, R, Mao, A, Mao, B, Patel, D, Ciccosanti, C, Hamilton, K, Acton, T.B, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-11-17
Release date:2011-01-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR structure of de novo designed rossmann 2x3 fold protein, Northeast Structural Genomics Consortium Target OR28
To be Published
5BOP
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BU of 5bop by Molmil
Crystal structure of the artificial nanobody octarellinV.1 complex
Descriptor: Nanobody, Octarellin V.1
Authors:Figueroa, M, Sleutel, M, Pardon, E, Steyaert, J, Martial, J.A, van de Weerdt, C.
Deposit date:2015-05-27
Release date:2016-05-25
Last modified:2016-06-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The unexpected structure of the designed protein Octarellin V.1 forms a challenge for protein structure prediction tools.
J.Struct.Biol., 195, 2016
4DRT
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BU of 4drt by Molmil
Three dimensional structure of de novo designed serine hydrolase OSH26, Northeast Structural Genomics Consortium (NESG) target OR89
Descriptor: CHLORIDE ION, SODIUM ION, de novo designed serine hydrolase, ...
Authors:Kuzin, A, Su, M, Rajagopalan, S, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-02-17
Release date:2012-04-18
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
2MN4
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BU of 2mn4 by Molmil
NMR solution structure of a computational designed protein based on structure template 1cy5
Descriptor: Computational designed protein based on structure template 1cy5
Authors:Xiong, P, Wang, M, Zhang, J, Chen, Q, Liu, H.
Deposit date:2014-03-28
Release date:2014-10-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Protein design with a comprehensive statistical energy function and boosted by experimental selection for foldability
Nat Commun, 5, 2014
2N3Z
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BU of 2n3z by Molmil
Solution NMR Structure of de novo designed protein, Rossmann2x2 Fold, Northeast Structural Genomics Consortium (NESG) Target OR446
Descriptor: OR446
Authors:Liu, G, Lin, Y, Koga, N, Koga, R, Xiao, R, Janjua, H, Pederson, K, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2015-06-15
Release date:2015-09-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR Structure of DE NOVO DESIGNED PROTEIN, Rossmann2x2 Fold, Northeast Structural Genomics Consortium (NESG) Target OR446
To be Published
2N4E
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BU of 2n4e by Molmil
Solution NMR Structure of DE NOVO DESIGNED PROTEIN Top7NNSTYCC, Northeast Structural Genomics Consortium (NESG) Target OR34
Descriptor: OR34
Authors:Liu, G, Chan, K, Basanta, B, Xiao, R, Janjua, H, Kogan, S, Maglaqui, M, Ciccosanti, C, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2015-06-17
Release date:2015-12-09
Method:SOLUTION NMR
Cite:Solution NMR Structure of DE NOVO DESIGNED PROTEIN Top7NNSTYCC, Northeast Structural Genomics Consortium (NESG) Target OR34
To be Published
2N41
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BU of 2n41 by Molmil
Solution NMR Structure of DE NOVO DESIGNED PROTEIN Top7NNSTYCC, Northeast Structural Genomics Consortium (NESG) Target OR34
Descriptor: OR34
Authors:Liu, G, Chan, K, Basanta, B, Xiao, R, Janjua, H, Kogan, S, Maglaqui, M, Ciccosanti, C, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2015-06-16
Release date:2016-03-02
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution NMR Structure of DE NOVO DESIGNED PROTEIN Top7NNSTYCC, Northeast Structural Genomics Consortium (NESG) Target OR34
To be Published
2LR0
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BU of 2lr0 by Molmil
Solution NMR structure of de novo designed protein, p-loop ntpase fold, northeast structural genomics consortium target or136
Descriptor: P-loop ntpase fold
Authors:Liu, G, Koga, N, Koga, R, Xiao, R, Lee, H, Janjua, H, Kohan, E, Acton, T.B, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-03-19
Release date:2012-07-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR structure of de novo designed protein, p-loop ntpase fold, northeast structural genomics consortium target or136
To be Published
4ZN8
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BU of 4zn8 by Molmil
Using molecular dynamics simulations to predict domain swapping of computationally designed protein variants
Descriptor: POTASSIUM ION, computationally modified engrailed homeodomain
Authors:Huang, P.-S, Thomas, L.M, Mayo, S.L.
Deposit date:2015-05-04
Release date:2015-05-27
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Using Molecular Dynamics Simulations as an Aid in the Prediction of Domain Swapping of Computationally Designed Protein Variants.
J.Mol.Biol., 427, 2015

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