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5HRY
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BU of 5hry by Molmil
Computationally Designed Cyclic Dimer ank3C2_1
Descriptor: ank3C2_1
Authors:Cascio, D, McNamara, D.E, Fallas, J.A, Baker, D, Yeates, T.O.
Deposit date:2016-01-24
Release date:2017-04-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Computational design of self-assembling cyclic protein homo-oligomers.
Nat Chem, 9, 2017
5J7D
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BU of 5j7d by Molmil
Computationally Designed Thioredoxin dF106
Descriptor: COPPER (II) ION, Designed Thioredoxin dF106
Authors:Horowitz, S, Johansen, N, Olsen, J.G, Winther, J.R.
Deposit date:2016-04-06
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Computational Redesign of Thioredoxin Is Hypersensitive toward Minor Conformational Changes in the Backbone Template.
J.Mol.Biol., 428, 2016
6N4N
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BU of 6n4n by Molmil
Crystal structure of the designed protein DNCR2/danoprevir/NS3a complex
Descriptor: (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate, NS3 protease, Rosetta-designed danoprevir/NS3a complex reader 2, ...
Authors:Wang, Z, Foight, G.W, Baker, D, Maly, D.J.
Deposit date:2018-11-19
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Multi-input chemical control of protein dimerization for programming graded cellular responses.
Nat.Biotechnol., 37, 2019
6MQU
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BU of 6mqu by Molmil
PL5, synthetic transmembrane domain variant of human phospholamban
Descriptor: PL5, designed TM pentamer
Authors:Mravic, M, Thomaston, J.L, DeGrado, W.F.
Deposit date:2018-10-10
Release date:2019-04-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.17 Å)
Cite:Packing of apolar side chains enables accurate design of highly stable membrane proteins.
Science, 363, 2019
6M9B
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BU of 6m9b by Molmil
Wild-type streptavidin in complex with biotin solved by native SAD with data collected at 6 keV
Descriptor: BIOTIN, Streptavidin
Authors:Finke, A.D.
Deposit date:2018-08-23
Release date:2019-04-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.548 Å)
Cite:Making routine native SAD a reality: lessons from beamline X06DA at the Swiss Light Source.
Acta Crystallogr D Struct Biol, 75, 2019
4HRL
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BU of 4hrl by Molmil
Structural Basis for Eliciting a Cytotoxic Effect in HER2-Overexpressing Cancer Cells via Binding to the Extracellular Domain of HER2
Descriptor: Designed Ankyrin Repeat Protein 9_29, Receptor tyrosine-protein kinase erbB-2
Authors:Jost, C, Schilling, J, Plueckthun, A.
Deposit date:2012-10-28
Release date:2013-10-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural Basis for Eliciting a Cytotoxic Effect in HER2-Overexpressing Cancer Cells via Binding to the Extracellular Domain of HER2.
Structure, 21, 2013
4HRN
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BU of 4hrn by Molmil
Structural Basis for Eliciting a Cytotoxic Effect in HER2-Overexpressing Cancer Cells via Binding to the Extracellular Domain of HER2
Descriptor: Designed Ankyrin Repeat Protein H10-2-G, Receptor tyrosine-protein kinase erbB-2
Authors:Jost, C, Schilling, J, Plueckthun, A.
Deposit date:2012-10-28
Release date:2013-10-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural Basis for Eliciting a Cytotoxic Effect in HER2-Overexpressing Cancer Cells via Binding to the Extracellular Domain of HER2.
Structure, 21, 2013
4HRM
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BU of 4hrm by Molmil
Structural Basis for Eliciting a Cytotoxic Effect in HER2-Overexpressing Cancer Cells via Binding to the Extracellular Domain of HER2
Descriptor: Designed Ankyrin Repeat Protein 9_26, Domain I of receptor tyrosine-protein kinase erbB-2
Authors:Jost, C, Schilling, J, Plueckthun, A.
Deposit date:2012-10-28
Release date:2013-10-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural Basis for Eliciting a Cytotoxic Effect in HER2-Overexpressing Cancer Cells via Binding to the Extracellular Domain of HER2.
Structure, 21, 2013
1QYS
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BU of 1qys by Molmil
Crystal structure of Top7: A computationally designed protein with a novel fold
Descriptor: TOP7
Authors:Kuhlman, B, Dantas, G, Ireton, G.C, Varani, G, Stoddard, B.L, Baker, D.
Deposit date:2003-09-11
Release date:2003-11-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design of a Novel Globular Protein Fold with Atomic-Level Accuracy
Science, 302, 2003
1OPR
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BU of 1opr by Molmil
THE CRYSTAL STRUCTURE OF THE OROTATE PHOSPHORIBOSYLTRANSFERASE COMPLEXED WITH OROTATE AND ALPHA-D-5-PHOSPHORIBOSYL-1-PYROPHOSPHATE
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, MAGNESIUM ION, OROTATE PHOSPHORIBOSYLTRANSFERASE, ...
Authors:Scapin, G, Sacchettini, J.C.
Deposit date:1995-01-06
Release date:1996-01-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The crystal structure of the orotate phosphoribosyltransferase complexed with orotate and alpha-D-5-phosphoribosyl-1-pyrophosphate.
Biochemistry, 34, 1995
7MLL
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BU of 7mll by Molmil
Solution structure of Exenatide (exendin-4) in 30-vol% trifluoroethanol using CS-Rosetta
Descriptor: Exendin-4
Authors:Mishra, S.H, Bhavaraju, S.
Deposit date:2021-04-28
Release date:2021-05-19
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Facilitated structure verification of the biopharmaceutical peptide exenatide by 2D heteronuclear NMR maps.
J Pharm Biomed Anal, 203, 2021
7MP7
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BU of 7mp7 by Molmil
Rules for designing protein fold switches and their implications for the folding code
Descriptor: Sb3
Authors:He, Y, Chen, Y, Ruan, B, Choi, J, Chen, Y, Motabar, D, Solomon, T, Simmerman, R, Kauffman, T, Gallagher, T, Bryan, P, Orban, J.
Deposit date:2021-05-04
Release date:2022-05-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Design and characterization of a protein fold switching network.
Nat Commun, 14, 2023
7MN1
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BU of 7mn1 by Molmil
Rules for designing protein fold switches and their implications for the folding code
Descriptor: Sa1
Authors:He, Y, Chen, Y, Ruan, B, Choi, J, Chen, Y, Motabar, D, Solomon, T, Simmerman, R, Kauffman, T, Gallagher, T, Bryan, P, Orban, J.
Deposit date:2021-04-30
Release date:2022-05-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Design and characterization of a protein fold switching network.
Nat Commun, 14, 2023
7MQ4
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BU of 7mq4 by Molmil
Rules for designing protein fold switches and their implications for the folding code
Descriptor: Sb1
Authors:He, Y, Chen, Y, Ruan, B, Choi, J, Chen, Y, Motabar, D, Solomon, T, Simmerman, R, Kauffman, T, Gallagher, T, Bryan, P, Orban, J.
Deposit date:2021-05-05
Release date:2022-05-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Design and characterization of a protein fold switching network.
Nat Commun, 14, 2023
1RGR
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BU of 1rgr by Molmil
Cyclic Peptides Targeting PDZ Domains of PSD-95: Structural Basis for Enhanced Affinity and Enzymatic Stability
Descriptor: BETA-ALANINE, Presynaptic density protein 95, postsynaptic protein CRIPT peptide
Authors:Piserchio, A, Salinas, G.D, Li, T, Marshall, J, Spaller, M.R, Mierke, D.F.
Deposit date:2003-11-12
Release date:2004-05-18
Last modified:2021-10-27
Method:SOLUTION NMR
Cite:Targeting Specific PDZ Domains of PSD-95; Structural Basis for Enhanced Affinity and Enzymatic Stability of a Cyclic Peptide.
Chem.Biol., 11, 2004
1RIM
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BU of 1rim by Molmil
E6-binding zinc finger (E6apc2)
Descriptor: E6apc2 peptide
Authors:Liu, Y, Liu, Z, Androphy, E, Chen, J, Baleja, J.D.
Deposit date:2003-11-17
Release date:2004-08-03
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Design and characterization of helical peptides that inhibit the E6 protein of papillomavirus.
Biochemistry, 43, 2004
7NBI
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BU of 7nbi by Molmil
Crystal structure of a monomeric FLT3 Ligand variant
Descriptor: Fms-related tyrosine kinase 3 ligand, SULFATE ION
Authors:Pannecoucke, E, Raes, L, Savvides, S.N.
Deposit date:2021-01-26
Release date:2021-04-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Engineering and crystal structure of a monomeric FLT3 ligand variant.
Acta Crystallogr.,Sect.F, 77, 2021
1R9V
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BU of 1r9v by Molmil
NMR Structure of a D,L-Alternating Dodecamer of Norleucine
Descriptor: BOC-(D-NLE-L-NLE)4-D-NLE(METHYL)-L-NLE-D-NLE-L-NLE METHYL ESTER
Authors:Navarro, E, Celda, B.
Deposit date:2003-10-31
Release date:2003-12-02
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Solution NMR Structure of a D,L-Alternating Oligonorleucine as a Model of Beta-Helix
Biopolymers, 59, 2001
7MN2
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BU of 7mn2 by Molmil
Rules for designing protein fold switches and their implications for the folding code
Descriptor: Sb2
Authors:He, Y, Chen, Y, Ruan, B, Choi, J, Chen, Y, Motabar, D, Solomon, T, Simmerman, R, Kauffman, T, Gallagher, T, Bryan, P, Orban, J.
Deposit date:2021-04-30
Release date:2022-05-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Design and characterization of a protein fold switching network.
Nat Commun, 14, 2023
1RIJ
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BU of 1rij by Molmil
E6-bind Trp-cage (E6apn1)
Descriptor: E6apn1 peptide
Authors:Liu, Y, Liu, Z, Androphy, E, Chen, J, Baleja, J.D.
Deposit date:2003-11-17
Release date:2004-08-03
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Design and characterization of helical peptides that inhibit the E6 protein of papillomavirus.
Biochemistry, 43, 2004
7NLV
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BU of 7nlv by Molmil
WILDTYPE CORE-STREPTAVIDIN WITH a conjugated BIOTINYLATED PYRROLIDINE II
Descriptor: 5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-N-((S)-pyrrolidin-3-yl)pentanamide, Streptavidin
Authors:Nodling, A.R, Santi, N, Tsai, Y.H, Rizkallah, P, Luk, L.Y.P, Jin, Y.
Deposit date:2021-02-22
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:The role of streptavidin and its variants in catalysis by biotinylated secondary amines.
Org.Biomol.Chem., 19, 2021
6VEH
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BU of 6veh by Molmil
Computationally designed C3-symmetric homotrimer from HEAT repeat protein
Descriptor: HEAT repeat domain-containing protein
Authors:Bick, M.J, Ueda, G, Baker, D.
Deposit date:2020-01-02
Release date:2020-08-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Tailored design of protein nanoparticle scaffolds for multivalent presentation of viral glycoprotein antigens.
Elife, 9, 2020
7LIB
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BU of 7lib by Molmil
X-ray crystal structure of a cyclic peptide containing beta-2-microglobulin (63-69) and a gamma-methylornithine turn unit
Descriptor: Cyclic peptide ORD-TYR-LEU-LEU-PHI-TYR-THR-GLU-GMO-LYS-VAL-THR-MVA-THR-VAL-LYS
Authors:Wierzbicki, M, Nowick, J.S, Li, X.
Deposit date:2021-01-26
Release date:2021-08-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:An Improved Turn Structure for Inducing beta-Hairpin Formation in Peptides.
Angew.Chem.Int.Ed.Engl., 60, 2021
7LL7
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BU of 7ll7 by Molmil
[2]Catenane From MccJ25 Variant G12C G21C
Descriptor: GLY-GLY-ALA-GLY-HIS-VAL-PRO-GLU-TYR-PHE, VAL-CYS-ILE-GLY-THR-PRO-ILE-SER-PHE-TYR-CYS
Authors:Link, A.J, Schroeder, H.V.
Deposit date:2021-02-03
Release date:2021-08-04
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Dynamic covalent self-assembly of mechanically interlocked molecules solely made from peptides.
Nat.Chem., 13, 2021
6V8E
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BU of 6v8e by Molmil
Computationally designed C3-symmetric homotrimer from TPR repeat protein
Descriptor: Designed protein
Authors:Sankaran, B, Ueda, G, Zwart, P.H, Baker, D.
Deposit date:2019-12-10
Release date:2020-08-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Tailored design of protein nanoparticle scaffolds for multivalent presentation of viral glycoprotein antigens.
Elife, 9, 2020

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