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4NDL
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BU of 4ndl by Molmil
Computational design and experimental verification of a symmetric homodimer
Descriptor: ENH-c2b, computational designed homodimer
Authors:Mou, Y, Huang, P.S, Hsu, F.C, Huang, S.J, Mayo, S.L.
Deposit date:2013-10-26
Release date:2014-11-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.5 Å)
Cite: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
Descriptor: Computational designed homodimer
Authors:Mou, Y, Huang, P.S, Hsu, F.C, Huang, S.J, Mayo, S.L.
Deposit date:2013-10-26
Release date:2015-04-08
Last modified:2024-05-15
Method:SOLUTION NMR
Cite: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)
Descriptor: Envelope glycoprotein gp160, PGT128 heavy chain, Ig gamma-1 chain C region, ...
Authors:Pejchal, R, Huang, P.S, Schief, W.R, Stanfield, R.L, Wilson, I.A.
Deposit date:2011-09-25
Release date:2011-10-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.25 Å)
Cite: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
Descriptor: AI-designed TIM-barrel F2C, SULFATE ION
Authors:Mathews, I.I, Anand-Achim, N, Perez, C.P, Huang, P.S.
Deposit date:2021-04-02
Release date:2022-01-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.46 Å)
Cite: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
Descriptor: Three helix bundle
Authors:Nannenga, B.L, Oberdorfer, G, DiMaio, F, Baker, D, Gonen, T.
Deposit date:2014-06-11
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: designed TIM barrel sTIM11
Authors:Feldmeier, K, Hocker, B.
Deposit date:2015-06-05
Release date:2015-11-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.992 Å)
Cite: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
Descriptor: CHLORIDE ION, GLYCEROL, de novo design, ...
Authors:Rupert, P.B, Johnsen, W.A.
Deposit date:2016-04-19
Release date:2016-09-28
Last modified:2016-11-02
Method:X-RAY DIFFRACTION (2.09 Å)
Cite: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
Descriptor: DeNovoTIM15 hyperstable de novo TIM barrel
Authors:Bick, M.J, Haydon, I.C, Caldwell, S.J, Zeymer, C, Huang, P, Fernandez-Velasco, D.A, Baker, D.
Deposit date:2020-05-06
Release date:2020-11-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.202 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, TFD-EE
Authors:Caldwell, S.J, Zeymer, C, Haydon, I.C, Huang, P, Hilvert, D, Baker, D.
Deposit date:2020-05-11
Release date:2020-11-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: GLYCEROL, SULFATE ION, TFD-HE
Authors:Caldwell, S.J, Zeymer, C, Haydon, I.C, Huang, P, Hilvert, D, Baker, D.
Deposit date:2020-05-11
Release date:2020-11-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.41 Å)
Cite: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)
Descriptor: 1,2-ETHANEDIOL, TERBIUM(III) ION, TFD-EE
Authors:Caldwell, S, Haydon, I, Piperidou, N, Huang, P, Hilvert, D, Baker, D, Zeymer, C.
Deposit date:2020-07-24
Release date:2020-11-25
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
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
7SMJ
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BU of 7smj by Molmil
F2N structure, protein design with deep learning
Descriptor: AI-designed TIM-barrel F2N
Authors:Mathews, I.I, Anand-Achim, N, Huang, P.
Deposit date:2021-10-26
Release date:2022-03-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.58 Å)
Cite: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
Descriptor: Interleukin-2, MAGNESIUM ION
Authors:Jude, K.M, Chu, A.E, Huang, P.-S, Garcia, K.C.
Deposit date:2021-06-30
Release date:2022-03-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.69 Å)
Cite: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
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Interleukin-2, PHOSPHATE ION
Authors:Jude, K.M, Chu, A.E, Huang, P.-S, Garcia, K.C.
Deposit date:2021-06-30
Release date:2022-03-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: OT3
Authors:Chu, A.E, Fernandez, D, Huang, P.-S.
Deposit date:2022-03-21
Release date:2023-01-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: W37
Authors:Buchko, G.W, Bahl, C.D, Pulavarti, S.V, Baker, D, Szyperski, T.
Deposit date:2016-04-21
Release date:2016-09-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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
Descriptor: W35
Authors:Buchko, G.W, Bahl, C.D, Gilmore, J.M, Pulavarti, S.V, Baker, D, Szyperski, T.
Deposit date:2016-04-21
Release date:2016-09-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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
Descriptor: Designed peptide NC_EEH_D1
Authors:Harvey, P.J, Craik, D.J.
Deposit date:2016-07-19
Release date:2016-09-21
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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
Descriptor: Designed peptide NC_EHE_D1
Authors:Harvey, P.J, Craik, D.J.
Deposit date:2016-07-18
Release date:2016-09-21
Last modified:2016-11-02
Method:SOLUTION NMR
Cite: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
Descriptor: Designed peptide NC_cEE_D1
Authors:Harvey, P.J, Craik, D.J.
Deposit date:2016-07-19
Release date:2016-09-21
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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
Descriptor: Designed peptide NC_cHH_D1
Authors:Harvey, P.J, Craik, D.J.
Deposit date:2016-07-19
Release date:2016-09-21
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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
Descriptor: Designed peptide NC_cHh_DL_D1
Authors:Harvey, P.J, Craik, D.J.
Deposit date:2016-07-19
Release date:2016-09-21
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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
Descriptor: Designed peptide NC_EEH_D2
Authors:Harvey, P.J, Craik, D.J.
Deposit date:2016-07-18
Release date:2016-09-21
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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
Descriptor: Designed peptide NC_cHHH_D1
Authors:Harvey, P.J, Craik, D.J.
Deposit date:2016-07-19
Release date:2016-09-21
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016

 

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