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2KPO
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BU of 2kpo by Molmil
Solution NMR structure of de novo designed rossmann 2x2 fold protein, Northeast Structural Genomics Consortium target OR16
Descriptor: rossmann 2x2 fold protein
Authors:Liu, G, Koga, R, Koga, N, Xiao, R, Hamilton, K, Ciccosanti, C, Acton, T.B, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-10-17
Release date:2009-12-01
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution NMR structure of denovo designed rossmann 2x2 fold protein, Northeast Structural Genomics Consortium target OR16
To be Published
5SWK
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BU of 5swk by Molmil
Crystal structure of p53 epitope-scaffold based on a inhibitor of cysteine proteases in complex with human MDM2
Descriptor: CHLORIDE ION, De novo protein based on the inhibitor Amoebiasin-1, E3 ubiquitin-protein ligase Mdm2, ...
Authors:Jimenez-Sandoval, P, Brieba, L.G.
Deposit date:2016-08-08
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.923 Å)
Cite:Mimicking a p53-MDM2 interaction based on a stable immunoglobulin-like domain scaffold.
Proteins, 86, 2018
6BF3
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BU of 6bf3 by Molmil
Solution structure of de novo macrocycle design7.3a
Descriptor: QDP(DPR)K(2TL)(DAS)
Authors:Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
Deposit date:2017-10-25
Release date:2018-01-10
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
6BEN
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BU of 6ben by Molmil
Solution structure of de novo macrocycle design8.2
Descriptor: (DAR)Q(DPR)(DGN)R(DGL)PQ
Authors:Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, B.
Deposit date:2017-10-25
Release date:2017-12-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
6YB1
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BU of 6yb1 by Molmil
Crystal structure of an antiparallel octameric transmembrane coiled coil K2-CCTM-VbIc
Descriptor: GLYCINE, K2-CCTM-VbIc, NONAETHYLENE GLYCOL
Authors:Kratochvil, H.T, Liu, L, Scott, A.J, Woolfson, D.N, DeGrado, W.F.
Deposit date:2020-03-15
Release date:2021-04-07
Last modified:2021-07-14
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Constructing ion channels from water-soluble alpha-helical barrels.
Nat.Chem., 13, 2021
6BES
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BU of 6bes by Molmil
Solution structure of de novo macrocycle design11_ss
Descriptor: (DAL)Q(DPR)(DCY)(DLY)DS(DTY)(DCY)P(DSN)
Authors:Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
Deposit date:2017-10-25
Release date:2017-12-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
5ET3
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BU of 5et3 by Molmil
Crystal Structure of De novo Designed Fullerene organizing peptide
Descriptor: (C_{60}-I_{h})[5,6]fullerene, Fullerene Organizing Protein (C60Sol-COP-3)
Authors:Kim, K.-H, Kim, Y.H, Acharya, R, Kim, N.H, Paul, J, Grigoryan, G, DeGrado, W.F.
Deposit date:2015-11-17
Release date:2016-05-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.671 Å)
Cite:Protein-directed self-assembly of a fullerene crystal.
Nat Commun, 7, 2016
6BEW
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BU of 6bew by Molmil
Solution structure of de novo macrocycle design7.2
Descriptor: (DHI)P(DAS)(DGN)(DSN)(DGL)P
Authors:Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
Deposit date:2017-10-25
Release date:2017-12-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
6BET
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BU of 6bet by Molmil
Solution structure of de novo macrocycle design12_ss
Descriptor: H(DPR)(DVA)CIP(DPR)E(DLY)VC(DGL)
Authors:Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
Deposit date:2017-10-25
Release date:2017-12-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
6BF5
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BU of 6bf5 by Molmil
Solution structure of de novo macrocycle design7.3a
Descriptor: QDP(DPR)K(DTH)(DAS)
Authors:Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
Deposit date:2017-10-25
Release date:2018-01-10
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
6BEO
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BU of 6beo by Molmil
Solution structure of de novo macrocycle design9.1
Descriptor: (DPR)PY(DHI)PKDL(DGN)
Authors:Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
Deposit date:2017-10-25
Release date:2017-12-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
6BER
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BU of 6ber by Molmil
Solution structure of de novo macrocycle design10.2
Descriptor: E(DVA)DP(DGL)(DHI)(DPR)N(DAL)(DPR)
Authors:Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
Deposit date:2017-10-25
Release date:2017-12-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
6BEQ
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BU of 6beq by Molmil
Solution structure of de novo macrocycle design10.1
Descriptor: AAR(DVA)(DPR)R(DLE)(DTH)PE
Authors:Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
Deposit date:2017-10-25
Release date:2018-01-10
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
6BEU
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BU of 6beu by Molmil
Solution structure of de novo macrocycle design14_ss
Descriptor: (DCY)N(DVA)(DPR)DVYC(DPR)(DSG)KY(DVA)(DPR)
Authors:Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
Deposit date:2017-10-25
Release date:2017-12-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
6BE9
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BU of 6be9 by Molmil
Solution structure of de novo macrocycle design7.1
Descriptor: T(DLY)NDT(DSG)(DPR)
Authors:Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, B.
Deposit date:2017-10-24
Release date:2017-12-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
5VSG
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BU of 5vsg by Molmil
Fibrils of the super helical repeat peptide, SHR-FF, grown at elevated temperature
Descriptor: Super Helical Repeat Peptide SHR-FF
Authors:Mondal, S, Sawaya, M.R, Eisenberg, D.S, Gazit, E.
Deposit date:2017-05-11
Release date:2018-06-27
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Transition of Metastable Cross-alpha Crystals into Cross-beta Fibrils by beta-Turn Flipping.
J.Am.Chem.Soc., 141, 2019
4R80
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BU of 4r80 by Molmil
Crystal Structure of a De Novo Designed Beta Sheet Protein, Cystatin Fold, Northeast Structural Genomics Consortium (NESG) Target OR486
Descriptor: OR486
Authors:Guan, R, Marcos, E, O'Connell, P, Seetharaman, J, Janjua, H, Xiao, R, Maglaqui, M, Acton, T.B, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2014-08-29
Release date:2014-09-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.445 Å)
Cite:Crystal Structure of an engineered protein with denovo beta sheet design, Northeast Structural Genomics Consortium (NESG) Target OR486
To be Published
5W0J
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BU of 5w0j by Molmil
Antiparallel coiled coil hexamer formed by de novo peptides (ACC-Hex2).
Descriptor: CHLORIDE ION, peptide 1
Authors:Spencer, R.K, Hochbaum, A.I.
Deposit date:2017-05-30
Release date:2017-10-04
Last modified:2022-12-14
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:The Phe-Ile Zipper: A Specific Interaction Motif Drives Antiparallel Coiled-Coil Hexamer Formation.
Biochemistry, 56, 2017
8PEQ
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BU of 8peq by Molmil
Complex of diubiquitin-derived artificial binding protein (Affilin) variant Af2 with its target oncofetal fibronectin (fragment 7B8)
Descriptor: Affilin variant Af2, Fibronectin, SULFATE ION
Authors:Parthier, C, Katzschmann, A, Fiedler, E, Haupts, U, Reimann, A.
Deposit date:2023-06-14
Release date:2024-06-26
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Ubiquitin-derived artificial binding proteins targeting oncofetal fibronectin reveal scaffold plasticity by beta-strand slippage.
Commun Biol, 7, 2024
8PF0
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BU of 8pf0 by Molmil
Diubiquitin-derived artificial binding protein (Affilin) variant Af1 specific to oncofetal fibronectin
Descriptor: Affilin variant Af1 (77405), COPPER (II) ION, IMIDAZOLE
Authors:Parthier, C, Katzschmann, A, Fiedler, E, Haupts, U, Reimann, A.
Deposit date:2023-06-15
Release date:2024-06-26
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Ubiquitin-derived artificial binding proteins targeting oncofetal fibronectin reveal scaffold plasticity by beta-strand slippage.
Commun Biol, 7, 2024
6PB4
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BU of 6pb4 by Molmil
The E. coli class-II CAP-dependent transcription activation complex with de novo RNA transcript at the state 2
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Liu, B, Shi, W.
Deposit date:2019-06-13
Release date:2020-03-18
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.35 Å)
Cite:Visualization of two architectures in class-II CAP-dependent transcription activation
Plos Biol., 18, 2020
7ARS
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BU of 7ars by Molmil
The de novo designed hybrid alpha/beta-miniprotein (with Se-Methionine)
Descriptor: MAGNESIUM ION, alpha/beta-peptide, trifluoroacetic acid
Authors:Bejger, M, Fortuna, P, Drewniak-Switalska, M, Rypniewski, W, Berlicki, L.
Deposit date:2020-10-26
Release date:2021-07-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:A computationally designed beta-amino acid-containing miniprotein.
Chem.Commun.(Camb.), 57, 2021
7ARR
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BU of 7arr by Molmil
The de novo designed hybrid alpha/beta-miniprotein
Descriptor: CHLORIDE ION, MAGNESIUM ION, alpha/beta-peptide, ...
Authors:Bejger, M, Fortuna, P, Drewniak-Switalska, M, Rypniewski, W, Berlicki, L.
Deposit date:2020-10-26
Release date:2021-07-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:A computationally designed beta-amino acid-containing miniprotein.
Chem.Commun.(Camb.), 57, 2021
7BO9
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BU of 7bo9 by Molmil
A hexameric de novo coiled-coil assembly: CC-Type2-(VaYd)4-Y3F-W19(BrPhe).
Descriptor: CC-Type2-(VaYd)4-Y3F-W19(BrPhe), GLYCEROL
Authors:Rhys, G.G, Brady, R.L, Woolfson, D.N.
Deposit date:2021-01-24
Release date:2021-05-19
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:How Coiled-Coil Assemblies Accommodate Multiple Aromatic Residues.
Biomacromolecules, 22, 2021
7BO8
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BU of 7bo8 by Molmil
A hexameric de novo coiled-coil assembly: CC-Type2-(VaYd)4-Y3F-W19(BrPhe)-Y24F.
Descriptor: 1,2-ETHANEDIOL, CC-Type2-(VaYd)4-Y3F-W19(BrPhe)-Y24F, OXAMIC ACID
Authors:Rhys, G.G, Brady, R.L, Woolfson, D.N.
Deposit date:2021-01-24
Release date:2021-05-19
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:How Coiled-Coil Assemblies Accommodate Multiple Aromatic Residues.
Biomacromolecules, 22, 2021

223790

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