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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
7T2Y
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BU of 7t2y by Molmil
X-ray structure of a designed cold unfolding four helix bundle
Descriptor: Designed cold unfolding four helix bundle
Authors:Harrison, J.S, Kuhlman, B, Szyperski, T, Premkumar, L, Maguire, J, Pulavarti, S, Yuen, S.
Deposit date:2021-12-06
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:From Protein Design to the Energy Landscape of a Cold Unfolding Protein.
J.Phys.Chem.B, 126, 2022
8UTK
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BU of 8utk by Molmil
IL-23R minibinder - 23R-B04dslf02IB
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 23R-B04dslf02IB, ...
Authors:Bera, A.K, Berger, S.A, Kang, A, Baker, D.
Deposit date:2023-10-31
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Preclinical proof of principle for orally delivered Th17 antagonist miniproteins.
Cell, 2024
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
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
8Y33
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BU of 8y33 by Molmil
A near-infrared fluorescent protein of de novo backbone design
Descriptor: 3-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, near-infrared fluorescent protein
Authors:Hu, X, Xu, Y.
Deposit date:2024-01-28
Release date:2024-02-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Using Protein Design and Directed Evolution to Monomerize a Bright Near-Infrared Fluorescent Protein.
Acs Synth Biol, 13, 2024
4LOA
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BU of 4loa by Molmil
X-ray structure of the de-novo design amidase at the resolution 1.8A, Northeast Structural Genomics Consortium (NESG) Target OR398
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, De-novo design amidase
Authors:Kuzin, A, Lew, S, Vorobiev, S.M, Seetharaman, J, Sahdev, S, Xiao, R, Maglaqui, M, Kogan, S, Khersonsky, O, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-07-12
Release date:2013-08-07
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.819 Å)
Cite:Northeast Structural Genomics Consortium Target OR398
To be Published
1NB6
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BU of 1nb6 by Molmil
HC-J4 RNA polymerase complexed with UTP
Descriptor: MANGANESE (II) ION, URIDINE 5'-TRIPHOSPHATE, polyprotein
Authors:O'Farrell, D.J, Trowbridge, R, Rowlands, D.J, Jaeger, J.
Deposit date:2002-12-02
Release date:2003-03-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Substrate complexes of hepatitis C virus RNA polymerase (HC-J4): structural evidence for nucleotide import and de-novo initiation.
J.Mol.Biol., 326, 2003
1NB7
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BU of 1nb7 by Molmil
HC-J4 RNA polymerase complexed with short RNA template strand
Descriptor: 5'-R(*UP*UP*UP*U)-3', MANGANESE (II) ION, polyprotein
Authors:O'Farrell, D.J, Trowbridge, R, Rowlands, D.J, Jaeger, J.
Deposit date:2002-12-02
Release date:2003-03-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Substrate complexes of hepatitis C virus RNA polymerase (HC-J4): structural evidence for nucleotide import and de-novo initiation.
J.Mol.Biol., 326, 2003
1NB4
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BU of 1nb4 by Molmil
HC-J4 RNA polymerase apo-form
Descriptor: polyprotein
Authors:Jaeger, J, O'Farrell, D.J, Trowbridge, R, Rowlands, D.J.
Deposit date:2002-12-02
Release date:2003-03-25
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Substrate complexes of hepatitis C virus RNA polymerase (HC-J4): structural evidence for nucleotide import and de-novo initiation.
J.Mol.Biol., 326, 2003
1T8J
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BU of 1t8j by Molmil
NMR Structure of BBA5, A Compact, Independently Folded BBA Motif
Descriptor: BBA5
Authors:Struthers, M.D, Ottesen, J.J, Imperiali, B.
Deposit date:2004-05-13
Release date:2004-05-25
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Design and NMR Analyses of Compact, Independently Folded BBA Motifs
Fold.Des., 3, 1998
4ADP
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BU of 4adp by Molmil
HCV-J6 NS5B POLYMERASE V405I MUTANT
Descriptor: RNA-DIRECTED RNA POLYMERASE
Authors:Scrima, N, Bressanelli, S.
Deposit date:2012-01-02
Release date:2012-05-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Two Crucial Early Steps in RNA Synthesis by the Hepatitis C Virus Polymerase Involve a Dual Role of Residue 405.
J.Virol., 86, 2012
4AEP
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BU of 4aep by Molmil
HCV-JFH1 NS5B POLYMERASE STRUCTURE AT 1.8 ANGSTROM
Descriptor: PHOSPHATE ION, RNA-DIRECTED RNA POLYMERASE
Authors:Caillet-Saguy, C, Bressanelli, S.
Deposit date:2012-01-12
Release date:2012-05-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Two Crucial Early Steps in RNA Synthesis by the Hepatitis C Virus Polymerase Involve a Dual Role of Residue 405.
J.Virol., 86, 2012
1K4M
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BU of 1k4m by Molmil
Crystal structure of E.coli nicotinic acid mononucleotide adenylyltransferase complexed to deamido-NAD
Descriptor: CITRIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, NaMN adenylyltransferase
Authors:Zhang, H, Zhou, T, Kurnasov, O, Cheek, S, Grishin, N.V, Osterman, A.
Deposit date:2001-10-08
Release date:2002-10-08
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of E. coli nicotinate mononucleotide adenylyltransferase and its complex with deamido-NAD.
Structure, 10, 2002
4AEX
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BU of 4aex by Molmil
HCV-JFH1 NS5B POLYMERASE STRUCTURE AT 2.4 ANGSTROM in a primitive orthorhombic space group
Descriptor: PHOSPHATE ION, RNA-DIRECTED RNA POLYMERASE
Authors:Caillet-Saguy, C, Bressanelli, S.
Deposit date:2012-01-12
Release date:2012-05-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Two Crucial Early Steps in RNA Synthesis by the Hepatitis C Virus Polymerase Involve a Dual Role of Residue 405.
J.Virol., 86, 2012
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
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
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

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