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4NDL
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BU of 4ndl by Molmil
Computational design and experimental verification of a symmetric homodimer
分子名称: ENH-c2b, computational designed homodimer
著者Mou, Y, Huang, P.S, Hsu, F.C, Huang, S.J, Mayo, S.L.
登録日2013-10-26
公開日2014-11-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Computational design and experimental verification of a symmetric protein homodimer.
Proc.Natl.Acad.Sci.USA, 112, 2015
2MG4
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BU of 2mg4 by Molmil
Computational design and experimental verification of a symmetric protein homodimer
分子名称: Computational designed homodimer
著者Mou, Y, Huang, P.S, Hsu, F.C, Huang, S.J, Mayo, S.L.
登録日2013-10-26
公開日2015-04-08
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Computational design and experimental verification of a symmetric protein homodimer.
Proc.Natl.Acad.Sci.USA, 112, 2015
3TYG
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BU of 3tyg by Molmil
Crystal structure of broad and potent HIV-1 neutralizing antibody PGT128 in complex with a glycosylated engineered gp120 outer domain with miniV3 (eODmV3)
分子名称: Envelope glycoprotein gp160, PGT128 heavy chain, Ig gamma-1 chain C region, ...
著者Pejchal, R, Huang, P.S, Schief, W.R, Stanfield, R.L, Wilson, I.A.
登録日2011-09-25
公開日2011-10-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献A potent and broad neutralizing antibody recognizes and penetrates the HIV glycan shield.
Science, 334, 2011
7MCC
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BU of 7mcc by Molmil
Crystal structure of an AI-designed TIM-barrel F2C
分子名称: AI-designed TIM-barrel F2C, SULFATE ION
著者Mathews, I.I, Anand-Achim, N, Perez, C.P, Huang, P.S.
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 (1.46 Å)
主引用文献Protein sequence design with a learned potential.
Nat Commun, 13, 2022
4TQL
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BU of 4tql by Molmil
Computationally designed three helix bundle
分子名称: Three helix bundle
著者Nannenga, B.L, Oberdorfer, G, DiMaio, F, Baker, D, Gonen, T.
登録日2014-06-11
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献High thermodynamic stability of parametrically designed helical bundles.
Science, 346, 2014
5BVL
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BU of 5bvl by Molmil
Crystal structure of a de novo designed TIM-barrel
分子名称: designed TIM barrel sTIM11
著者Feldmeier, K, Hocker, B.
登録日2015-06-05
公開日2015-11-18
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.992 Å)
主引用文献De novo design of a four-fold symmetric TIM-barrel protein with atomic-level accuracy.
Nat.Chem.Biol., 12, 2016
5JG9
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BU of 5jg9 by Molmil
Crystal structure of the de novo mini protein gEHEE_06
分子名称: CHLORIDE ION, GLYCEROL, de novo design, ...
著者Rupert, P.B, Johnsen, W.A.
登録日2016-04-19
公開日2016-09-28
最終更新日2016-11-02
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
6WVS
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BU of 6wvs by Molmil
Hyperstable de novo TIM barrel variant DeNovoTIM15
分子名称: DeNovoTIM15 hyperstable de novo TIM barrel
著者Bick, M.J, Haydon, I.C, Caldwell, S.J, Zeymer, C, Huang, P, Fernandez-Velasco, D.A, Baker, D.
登録日2020-05-06
公開日2020-11-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.202 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
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
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
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
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
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
5JI4
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BU of 5ji4 by Molmil
Solution structure of the de novo mini protein gEEHE_02
分子名称: W37
著者Buchko, G.W, Bahl, C.D, Pulavarti, S.V, Baker, D, Szyperski, T.
登録日2016-04-21
公開日2016-09-28
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
5JHI
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BU of 5jhi by Molmil
Solution structure of the de novo mini protein gEHE_06
分子名称: W35
著者Buchko, G.W, Bahl, C.D, Gilmore, J.M, Pulavarti, S.V, Baker, D, Szyperski, T.
登録日2016-04-21
公開日2016-09-28
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
5KWX
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BU of 5kwx by Molmil
NMR Solution Structure of Designed Peptide NC_EEH_D1
分子名称: Designed peptide NC_EEH_D1
著者Harvey, P.J, Craik, D.J.
登録日2016-07-19
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
5KWO
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BU of 5kwo by Molmil
NMR Solution Structure of Designed Peptide NC_EHE_D1
分子名称: Designed peptide NC_EHE_D1
著者Harvey, P.J, Craik, D.J.
登録日2016-07-18
公開日2016-09-21
最終更新日2016-11-02
実験手法SOLUTION NMR
主引用文献Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
5KX2
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BU of 5kx2 by Molmil
NMR Solution Structure of Designed Peptide NC_cEE_D1
分子名称: Designed peptide NC_cEE_D1
著者Harvey, P.J, Craik, D.J.
登録日2016-07-19
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
5KWZ
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BU of 5kwz by Molmil
NMR Solution Structure of Designed Peptide NC_cHH_D1
分子名称: Designed peptide NC_cHH_D1
著者Harvey, P.J, Craik, D.J.
登録日2016-07-19
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
5KX0
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BU of 5kx0 by Molmil
NMR Solution Structure of Designed Peptide NC_cHh_DL_D1
分子名称: Designed peptide NC_cHh_DL_D1
著者Harvey, P.J, Craik, D.J.
登録日2016-07-19
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
5KWP
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BU of 5kwp by Molmil
NMR Solution Structure of Designed Peptide NC_EEH_D2
分子名称: Designed peptide NC_EEH_D2
著者Harvey, P.J, Craik, D.J.
登録日2016-07-18
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
5KX1
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BU of 5kx1 by Molmil
NMR Solution Structure of Designed Peptide NC_cHHH_D1
分子名称: Designed peptide NC_cHHH_D1
著者Harvey, P.J, Craik, D.J.
登録日2016-07-19
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

 

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