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5KVN
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BU of 5kvn by Molmil
NMR Solution Structure of Designed Peptide NC_HEE_D1
分子名称: Designed peptide NC_HEE_D1
著者Harvey, P.J, Craik, D.J.
登録日2016-07-14
公開日2016-09-21
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
6ZV9
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BU of 6zv9 by Molmil
Terbium(III)-bound de novo TIM barrel-ferredoxin fold fusion dimer with 4-glutamate binding site and tryptophan antenna (TFD-EE N6W)
分子名称: 1,2-ETHANEDIOL, TERBIUM(III) ION, TFD-EE
著者Caldwell, S, Haydon, I, Piperidou, N, Huang, P, Hilvert, D, Baker, D, Zeymer, C.
登録日2020-07-24
公開日2020-11-25
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Tight and specific lanthanide binding in a de novo TIM barrel with a large internal cavity designed by symmetric domain fusion.
Proc.Natl.Acad.Sci.USA, 117, 2020
7MCD
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BU of 7mcd by Molmil
Crystal structure of an AI-designed TIM-barrel F15C
分子名称: AI-designed TIM-barrel F15C
著者Mathews, I.I, Anand-Achim, N, Perez, C.P, Huang, P.
登録日2021-04-02
公開日2022-01-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Protein sequence design with a learned potential.
Nat Commun, 13, 2022
6WXO
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BU of 6wxo by Molmil
De novo TIM barrel-ferredoxin fold fusion homodimer with 2-histidine 2-glutamate centre TFD-HE
分子名称: GLYCEROL, SULFATE ION, TFD-HE
著者Caldwell, S.J, Zeymer, C, Haydon, I.C, Huang, P, Hilvert, D, Baker, D.
登録日2020-05-11
公開日2020-11-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Tight and specific lanthanide binding in a de novo TIM barrel with a large internal cavity designed by symmetric domain fusion.
Proc.Natl.Acad.Sci.USA, 117, 2020
6WXP
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BU of 6wxp by Molmil
De novo TIM barrel-ferredoxin fold fusion homodimer with 4-glutamate centre TFD-EE
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, TFD-EE
著者Caldwell, S.J, Zeymer, C, Haydon, I.C, Huang, P, Hilvert, D, Baker, D.
登録日2020-05-11
公開日2020-11-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Tight and specific lanthanide binding in a de novo TIM barrel with a large internal cavity designed by symmetric domain fusion.
Proc.Natl.Acad.Sci.USA, 117, 2020
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
7SMJ
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BU of 7smj by Molmil
F2N structure, protein design with deep learning
分子名称: AI-designed TIM-barrel F2N
著者Mathews, I.I, Anand-Achim, N, Huang, P.
登録日2021-10-26
公開日2022-03-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Protein sequence design with a learned potential.
Nat Commun, 13, 2022
6NXM
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BU of 6nxm by Molmil
Crystal structure of computationally designed protein XAA_GVDQ
分子名称: Design construct XAA_GVDQ
著者Wei, K.Y, Bick, M.J.
登録日2019-02-08
公開日2020-04-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Computational design of closely related proteins that adopt two well-defined but structurally divergent folds.
Proc.Natl.Acad.Sci.USA, 117, 2020
6NZ3
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BU of 6nz3 by Molmil
Crystal structure of computationally designed protein XAA_GGHN
分子名称: CHLORIDE ION, Design construct XAA_GGHN
著者Wei, K.Y, Bick, M.J.
登録日2019-02-12
公開日2020-04-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Computational design of closely related proteins that adopt two well-defined but structurally divergent folds.
Proc.Natl.Acad.Sci.USA, 117, 2020
6NX2
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BU of 6nx2 by Molmil
Crystal structure of computationally designed protein AAA
分子名称: BROMIDE ION, Design construct AAA
著者Wei, K.Y, Bick, M.J.
登録日2019-02-07
公開日2020-04-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Computational design of closely related proteins that adopt two well-defined but structurally divergent folds.
Proc.Natl.Acad.Sci.USA, 117, 2020
6NYI
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BU of 6nyi by Molmil
Crystal structure of computationally designed protein XXA
分子名称: Design construct XXA
著者Wei, K.Y, Bick, M.J.
登録日2019-02-11
公開日2020-04-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Computational design of closely related proteins that adopt two well-defined but structurally divergent folds.
Proc.Natl.Acad.Sci.USA, 117, 2020
6NYK
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BU of 6nyk by Molmil
Crystal structure of computationally designed protein XAX_GGDQ
分子名称: Design construct XAX_GGDQ
著者Wei, K.Y, Bick, M.J.
登録日2019-02-11
公開日2020-04-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Computational design of closely related proteins that adopt two well-defined but structurally divergent folds.
Proc.Natl.Acad.Sci.USA, 117, 2020
6O0C
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BU of 6o0c by Molmil
NMR ensemble of computationally designed protein XAA_GVDQ mutant M4L
分子名称: Design construct XAA_GVDQ mutant M4L
著者Wei, K.Y, Moschidi, D, Nerli, S, Sgourakis, N, Baker, D.
登録日2019-02-15
公開日2020-04-22
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Computational design of closely related proteins that adopt two well-defined but structurally divergent folds.
Proc.Natl.Acad.Sci.USA, 117, 2020
7RAA
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BU of 7raa by Molmil
Designed StabIL-2 seq15
分子名称: Interleukin-2, MAGNESIUM ION
著者Jude, K.M, Chu, A.E, Huang, P.-S, Garcia, K.C.
登録日2021-06-30
公開日2022-03-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Interleukin-2 superkines by computational design.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RA9
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BU of 7ra9 by Molmil
Designed StabIL-2 seq1
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Interleukin-2, PHOSPHATE ION
著者Jude, K.M, Chu, A.E, Huang, P.-S, Garcia, K.C.
登録日2021-06-30
公開日2022-03-16
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Interleukin-2 superkines by computational design.
Proc.Natl.Acad.Sci.USA, 119, 2022
8ELO
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BU of 8elo by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain in complex with antibody CC12.1 Fab and nanobody Nb-C4-225
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CC12.1 Fab heavy chain, CC12.1 Fab light chain, ...
著者Liu, H, Wilson, I.A.
登録日2022-09-26
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Fully synthetic platform to rapidly generate tetravalent bispecific nanobody-based immunoglobulins.
Proc.Natl.Acad.Sci.USA, 120, 2023
8ELQ
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BU of 8elq by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain in complex with antibody CC12.1 Fab and nanobody Nb-C4-255
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CC12.1 Fab heavy chain, CC12.1 Fab light chain, ...
著者Liu, H, Wilson, I.A.
登録日2022-09-26
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Fully synthetic platform to rapidly generate tetravalent bispecific nanobody-based immunoglobulins.
Proc.Natl.Acad.Sci.USA, 120, 2023
8ELP
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BU of 8elp by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain in complex with antibody CC12.1 Fab and nanobody Nb-C4-240
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CC12.1 Fab heavy chain, CC12.1 Fab light chain, ...
著者Liu, H, Wilson, I.A.
登録日2022-09-26
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Fully synthetic platform to rapidly generate tetravalent bispecific nanobody-based immunoglobulins.
Proc.Natl.Acad.Sci.USA, 120, 2023
7UEK
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BU of 7uek by Molmil
Crystal structure of a de novo designed ovoid TIM barrel OT3
分子名称: OT3
著者Chu, A.E, Fernandez, D, Huang, P.-S.
登録日2022-03-21
公開日2023-01-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献De Novo Design of a Highly Stable Ovoid TIM Barrel: Unlocking Pocket Shape towards Functional Design.
Biodes Res, 2022, 2022
5CWF
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BU of 5cwf by Molmil
Crystal structure of de novo designed helical repeat protein DHR8
分子名称: CALCIUM ION, Designed helical repeat protein
著者Bhabha, G, Ekiert, D.C.
登録日2015-07-28
公開日2015-12-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
5CWJ
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BU of 5cwj by Molmil
Crystal structure of de novo designed helical repeat protein DHR49
分子名称: Designed helical repeat protein
著者Bhabha, G, Ekiert, D.C.
登録日2015-07-28
公開日2015-12-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
5CWP
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BU of 5cwp by Molmil
Crystal structure of de novo designed helical repeat protein DHR79
分子名称: Designed helical repeat protein
著者Bhabha, G, Ekiert, D.C.
登録日2015-07-28
公開日2015-12-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
5CWQ
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BU of 5cwq by Molmil
Crystal structure of de novo designed helical repeat protein DHR81
分子名称: 1,2-ETHANEDIOL, Designed helical repeat protein, GLYCEROL, ...
著者Bhabha, G, Ekiert, D.C.
登録日2015-07-28
公開日2015-12-16
最終更新日2016-01-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
5CWL
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BU of 5cwl by Molmil
Crystal structure of de novo designed helical repeat protein DHR54
分子名称: Designed helical repeat protein, SODIUM ION, TETRAETHYLENE GLYCOL, ...
著者Bhabha, G, Ekiert, D.C.
登録日2015-07-28
公開日2015-12-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
5CWH
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BU of 5cwh by Molmil
Crystal structure of de novo designed helical repeat protein DHR14
分子名称: 1,2-ETHANEDIOL, Designed helical repeat protein
著者Bhabha, G, Ekiert, D.C.
登録日2015-07-28
公開日2015-12-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015

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