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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
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:2023-06-14
Method:SOLUTION NMR
Cite:Computational design and experimental verification of a symmetric protein homodimer.
Proc.Natl.Acad.Sci.USA, 112, 2015
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
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
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
2FB8
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BU of 2fb8 by Molmil
Structure of the B-Raf kinase domain bound to SB-590885
Descriptor: (1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN-1-ONE OXIME, B-Raf proto-oncogene serine/threonine-protein kinase
Authors:Lougheed, J.C, Lee, J, Chau, D.C, Stout, T.J.
Deposit date:2005-12-08
Release date:2006-12-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Demonstration of a genetic therapeutic index for tumors expressing oncogenic BRAF by the kinase inhibitor SB-590885.
Cancer Res., 66, 2006
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
6D0T
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BU of 6d0t by Molmil
De novo design of a fluorescence-activating beta barrel - BB1
Descriptor: BB1
Authors:Dou, J, Vorobieva, A.A, Sheffler, W, Doyle, L.A, Park, H, Bick, M.J, Mao, B, Foight, G.W, Lee, M, Carter, L, Sankaran, B, Ovchinnikov, S, Marcos, E, Huang, P, Vaughan, J.C, Stoddard, B.L, Baker, D.
Deposit date:2018-04-10
Release date:2018-09-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
3TV3
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BU of 3tv3 by Molmil
Crystal structure of broad and potent HIV-1 neutralizing antibody PGT128 in complex with Man9
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AMYLAMINE, GLYCEROL, ...
Authors:Pejchal, R, Wilson, I.A.
Deposit date:2011-09-19
Release date:2011-10-19
Last modified:2021-04-28
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:A potent and broad neutralizing antibody recognizes and penetrates the HIV glycan shield.
Science, 334, 2011
3TWC
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BU of 3twc by Molmil
Crystal structure of broad and potent HIV-1 neutralizing antibody PGT127 in complex with Man9
Descriptor: AMYLAMINE, PGT127 heavy chain, Ig gamma-1 chain C region, ...
Authors:Pejchal, R, Wilson, I.A.
Deposit date:2011-09-21
Release date:2011-10-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A potent and broad neutralizing antibody recognizes and penetrates the HIV glycan shield.
Science, 334, 2011
5CWO
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BU of 5cwo by Molmil
Crystal structure of de novo designed helical repeat protein DHR76
Descriptor: Designed helical repeat protein
Authors:Bhabha, G, Ekiert, D.C.
Deposit date:2015-07-28
Release date:2015-12-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
5CWC
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BU of 5cwc by Molmil
Crystal structure of de novo designed helical repeat protein DHR5
Descriptor: 1,2-ETHANEDIOL, Designed helical repeat protein
Authors:Bhabha, G, Ekiert, D.C.
Deposit date:2015-07-27
Release date:2015-12-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
5CWM
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BU of 5cwm by Molmil
Crystal structure of de novo designed helical repeat protein DHR64
Descriptor: Designed helical repeat protein
Authors:Bhabha, G, Ekiert, D.C.
Deposit date:2015-07-28
Release date:2015-12-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
5CWN
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BU of 5cwn by Molmil
Crystal structure of de novo designed helical repeat protein DHR71
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Designed helical repeat protein, TETRAETHYLENE GLYCOL
Authors:Bhabha, G, Ekiert, D.C.
Deposit date:2015-07-28
Release date:2015-12-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
5CWG
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BU of 5cwg by Molmil
Crystal structure of de novo designed helical repeat protein DHR10
Descriptor: 1,2-ETHANEDIOL, Designed helical repeat protein, UNKNOWN LIGAND
Authors:Bhabha, G, Ekiert, D.C.
Deposit date:2015-07-28
Release date:2015-12-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
5CWB
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BU of 5cwb by Molmil
Crystal structure of de novo designed helical repeat protein DHR4
Descriptor: Designed helical repeat protein
Authors:Bhabha, G, Ekiert, D.C.
Deposit date:2015-07-27
Release date:2015-12-16
Last modified:2016-01-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
5CWK
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BU of 5cwk by Molmil
Crystal structure of de novo designed helical repeat protein DHR53
Descriptor: Designed helical repeat protein
Authors:Bhabha, G, Ekiert, D.C.
Deposit date:2015-07-28
Release date:2015-12-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
5CWD
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BU of 5cwd by Molmil
Crystal structure of de novo designed helical repeat protein DHR7
Descriptor: Designed helical repeat protein
Authors:Bhabha, G, Ekiert, D.C.
Deposit date:2015-07-28
Release date:2015-12-16
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
5CWI
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BU of 5cwi by Molmil
Crystal structure of de novo designed helical repeat protein DHR18
Descriptor: Designed helical repeat protein, PHOSPHATE ION
Authors:Bhabha, G, Ekiert, D.C.
Deposit date:2015-07-28
Release date:2015-12-16
Last modified:2016-01-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
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

 

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