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7BQE
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BU of 7bqe by Molmil
Solution NMR structure of NF3; de novo designed protein with a novel fold
分子名称: NF3
著者Kobayashi, N, Sugiki, T, Fujiwara, T, Minami, S, Koga, R, Chikenji, G, Koga, N.
登録日2020-03-24
公開日2021-03-24
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献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
分子名称: NF6
著者Kobayashi, N, Nagashima, T, Minami, S, Koga, R, Chikenji, G, Koga, N.
登録日2020-03-24
公開日2021-03-24
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Exploration of novel alpha-beta-protein folds through de novo design
Nat.Struct.Mol.Biol., 2023
7BQC
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BU of 7bqc by Molmil
Solution NMR structure of NF4; de novo designed protein with a novel fold
分子名称: NF4
著者Kobayashi, N, Nagashima, T, Minami, S, Koga, R, Chikenji, T, Koga, N.
登録日2020-03-24
公開日2021-03-24
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Exploration of novel alpha-beta-protein folds through de novo design
Nat.Struct.Mol.Biol., 2023
8B16
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BU of 8b16 by Molmil
A hexameric barrel state of a de novo coiled-coil assembly: CC-Pent2-I17Q
分子名称: 1,2-ETHANEDIOL, CC-Pent2-I17Q
著者Martin, F.J.O, Dawson, W.M, Woolfson, D.N.
登録日2022-09-09
公開日2023-09-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Exchange, promiscuity, and orthogonality in a set of de novo coiled-coil assemblies
To Be Published
8B15
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BU of 8b15 by Molmil
A pentameric barrel state of a de novo coiled-coil assembly: CC-Pent2-I10Q
分子名称: CC-Pent2-I10Q
著者Martin, F.J.O, Dawson, W.M, Woolfson, D.N.
登録日2022-09-09
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Exchange, promiscuity, and orthogonality in a set of de novo coiled-coil assemblies
To Be Published
6CO2
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BU of 6co2 by Molmil
Structure of an engineered protein (NUDT16TI) in complex with 53BP1 Tudor domains
分子名称: NUDT16-Tudor-interacting (NUDT16TI), TP53-binding protein 1
著者Botuyan, M.V, Thompson, J.R, Cui, G, Mer, G.
登録日2018-03-10
公開日2018-06-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Mechanism of 53BP1 activity regulation by RNA-binding TIRR and a designer protein.
Nat. Struct. Mol. Biol., 25, 2018
4ZV6
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BU of 4zv6 by Molmil
Crystal structure of the artificial alpharep-7 octarellinV.1 complex
分子名称: AlphaRep-7, Octarellin V.1
著者Figueroa, M, Sleutel, M, Urvoas, A, Valerio-Lepiniec, M, Minard, P, Martial, J.A, van de Weerdt, C.
登録日2015-05-18
公開日2016-05-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献The unexpected structure of the designed protein Octarellin V.1 forms a challenge for protein structure prediction tools.
J.Struct.Biol., 195, 2016
6CO1
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BU of 6co1 by Molmil
Structure of human TIRR in complex with 53BP1 Tudor domains
分子名称: TP53-binding protein 1, Tudor-interacting repair regulator protein
著者Cui, G, Botuyan, M.V, Mer, G.
登録日2018-03-10
公開日2018-06-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.179 Å)
主引用文献Mechanism of 53BP1 activity regulation by RNA-binding TIRR and a designer protein.
Nat. Struct. Mol. Biol., 25, 2018
6D0L
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BU of 6d0l by Molmil
Structure of human TIRR
分子名称: Tudor-interacting repair regulator protein
著者Cui, G, Botuyan, M.V, Mer, G.
登録日2018-04-10
公開日2018-06-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Mechanism of 53BP1 activity regulation by RNA-binding TIRR and a designer protein.
Nat. Struct. Mol. Biol., 25, 2018
7A4Y
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BU of 7a4y by Molmil
Crystal structure of the P5P6 coiled-coil in complex with nanobody Nb34.
分子名称: 1,2-ETHANEDIOL, Coiled-coil P5 peptide, Coiled-coil P6 peptide, ...
著者Hadzi, S.
登録日2020-08-20
公開日2021-05-05
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.157 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, ACETYL GROUP, GCN4 isoform 1, ...
著者Hadzi, S.
登録日2020-08-20
公開日2021-05-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.124 Å)
主引用文献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
分子名称: APH colied-coil, Nanobody 49
著者Hadzi, S.
登録日2020-08-19
公開日2021-05-05
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.547 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, ACETATE ION, APH coiled-coil, ...
著者Hadzi, S.
登録日2020-08-19
公開日2021-05-05
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.694 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, Coiled-coil APH, Nanobody Nb26
著者Hadzi, S.
登録日2020-08-20
公開日2021-05-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献A nanobody toolbox targeting dimeric coiled-coil modules for functionalization of designed protein origami structures.
Proc.Natl.Acad.Sci.USA, 118, 2021
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
分子名称: COENZYME A, CoA binding protein, consensus ankyrin repeat
著者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)
登録日2011-01-10
公開日2011-04-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
分子名称: CARBAMOYL SARCOSINE, COENZYME A, CoA binding protein, ...
著者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)
登録日2011-01-09
公開日2011-04-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A de novo protein binding pair by computational design and directed evolution.
Mol.Cell, 42, 2011
5AYZ
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BU of 5ayz by Molmil
CRYSTAL STRUCTURE OF HUMAN QUINOLINATE PHOSPHORIBOSYLTRANSFERASE IN COMPLEX WITH THE PRODUCT NICOTINATE MONONUCLEOTIDE
分子名称: NICOTINATE MONONUCLEOTIDE, Nicotinate-nucleotide pyrophosphorylase [carboxylating]
著者Youn, H.S, Kim, T.G, Kim, M.K, Kang, G.B, Kang, J.Y, Seo, Y.J, Lee, J.G, An, J.Y, Park, K.R, Lee, Y, Im, Y.J, Lee, J.H, Fukuoka, S.I, Eom, S.H.
登録日2015-09-14
公開日2016-02-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Insights into the Quaternary Catalytic Mechanism of Hexameric Human Quinolinate Phosphoribosyltransferase, a Key Enzyme in de novo NAD Biosynthesis
Sci Rep, 6, 2016
3QA9
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BU of 3qa9 by Molmil
Crystal Structure of Prb (PH1109 protein redesigned for binding)
分子名称: CoA binding domain protein
著者Spiegel, P.C.
登録日2011-01-10
公開日2011-04-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A de novo protein binding pair by computational design and directed evolution.
Mol.Cell, 42, 2011
2MN4
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BU of 2mn4 by Molmil
NMR solution structure of a computational designed protein based on structure template 1cy5
分子名称: Computational designed protein based on structure template 1cy5
著者Xiong, P, Wang, M, Zhang, J, Chen, Q, Liu, H.
登録日2014-03-28
公開日2014-10-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Protein design with a comprehensive statistical energy function and boosted by experimental selection for foldability
Nat Commun, 5, 2014
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
分子名称: DI(HYDROXYETHYL)ETHER, DODECYL-ALPHA-D-MALTOSIDE, De novo designed serine hydrolase
著者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)
登録日2012-05-08
公開日2012-05-30
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.493 Å)
主引用文献Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
6L63
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BU of 6l63 by Molmil
Human Coagulation Factor XIIa (FXIIa) bound with the macrocyclic peptide F3 containing two (1S,2S)-2-ACHC residues
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYL GROUP, ...
著者Sengoku, T, Katoh, T, Hirata, K, Suga, H, Ogata, K.
登録日2019-10-26
公開日2020-09-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Ribosomal synthesis and de novo discovery of bioactive foldamer peptides containing cyclic beta-amino acids.
Nat.Chem., 12, 2020
3O6Y
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BU of 3o6y by Molmil
Robust computational design, optimization, and structural characterization of retroaldol enzymes
分子名称: Retro-Aldolase, SULFATE ION
著者Althoff, E.A, Wang, L, Jiang, L, Moody, J, Bolduc, J, Lassila, J.K, Wang, Z.Z, Smith, M, Hari, S, Herschlag, D, Stoddard, B.L, Baker, D.
登録日2010-07-29
公開日2011-06-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.091 Å)
主引用文献Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design.
J.Mol.Biol., 415, 2012
3NXF
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BU of 3nxf by Molmil
Robust computational design, optimization, and structural characterization of retroaldol enzymes
分子名称: Retro-Aldolase, SULFATE ION
著者Althoff, E.A, Jiang, L, Wang, L, Lassila, J.K, Moody, J, Bolduc, J, Wang, Z.Z, Smith, M, Hari, S, Herschlag, D, Stoddard, B.L, Baker, D.
登録日2010-07-13
公開日2011-06-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design.
J.Mol.Biol., 415, 2012
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
分子名称: CHLORIDE ION, SODIUM ION, de novo designed serine hydrolase, ...
著者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)
登録日2012-02-17
公開日2012-04-18
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
4ZN8
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BU of 4zn8 by Molmil
Using molecular dynamics simulations to predict domain swapping of computationally designed protein variants
分子名称: POTASSIUM ION, computationally modified engrailed homeodomain
著者Huang, P.-S, Thomas, L.M, Mayo, S.L.
登録日2015-05-04
公開日2015-05-27
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献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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