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2X6P
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BU of 2x6p by Molmil
Crystal Structure of Coil Ser L19C
Descriptor: COIL SER L19C, ZINC ION
Authors:Chakraborty, S, Touw, D.S, Peacock, A.F.A, Stuckey, J.A, Pecoraro, V.L.
Deposit date:2010-02-18
Release date:2010-09-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural Comparisons of Apo- and Metalated Three-Stranded Coiled Coils Clarify Metal Binding Determinants in Thiolate Containing Designed Peptides.
J.Am.Chem.Soc., 132, 2010
1N0C
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BU of 1n0c by Molmil
Stability of cyclic beta-hairpins: Asymmetric contibutions from side chains of hydrogen bonded cross-strand residue pair
Descriptor: bhp_HWLV, disulfide cyclized beta-hairpin peptide
Authors:Russel, S.J, Blandl, T, Skelton, N.J, Cochran, A.G.
Deposit date:2002-10-11
Release date:2003-10-21
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Stability of cyclic beta-hairpins: asymmetric contributions from side chains of a hydrogen-bonded cross-strand residue pair
J.AM.CHEM.SOC., 125, 2003
2XXD
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BU of 2xxd by Molmil
HCV-JFH1 NS5B polymerase structure at 1.9 angstrom
Descriptor: PHOSPHATE ION, RNA-DIRECTED RNA POLYMERASE
Authors:Caillet-Saguy, C, Bressanelli, S.
Deposit date:2010-11-10
Release date:2011-01-12
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.881 Å)
Cite:A Comprehensive Structure-Function Comparison of Hepatitis C Virus Strains Jfh1 and J6 Polymerases Reveals a Key Residue Stimulating Replication in Cell Culture Across Genotypes.
J.Virol., 85, 2011
2XYM
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BU of 2xym by Molmil
HCV-JFH1 NS5B T385A mutant
Descriptor: PHOSPHATE ION, RNA-DIRECTED RNA POLYMERASE
Authors:Simister, P.C, Caillet-Saguy, C, Bressanelli, S.
Deposit date:2010-11-18
Release date:2011-01-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.774 Å)
Cite:A Comprehensive Structure-Function Comparison of Hepatitis C Virus Strains Jfh1 and J6 Polymerases Reveals a Key Residue Stimulating Replication in Cell Culture Across Genotypes.
J.Virol., 85, 2011
1N09
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BU of 1n09 by Molmil
A minimal beta-hairpin peptide scaffold for beta-turn display
Descriptor: bhpW, disulfide cyclized beta-hairpin peptide
Authors:Russell, S.J, Blandl, T, Skelton, N.J, Cochran, A.G.
Deposit date:2002-10-11
Release date:2003-02-04
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Stability of cyclic beta-hairpins: asymmetric contributions from side chains of a hydrogen-bonded cross-strand residue pair
J.Am.Chem.Soc., 125, 2003
5V54
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BU of 5v54 by Molmil
Crystal structure of 5-HT1B receptor in complex with methiothepin
Descriptor: 1-methyl-4-[(5~{S})-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine, 5-hydroxytryptamine receptor 1B,OB-1 fused 5-HT1b receptor,5-hydroxytryptamine receptor 1B
Authors:Yin, W.C, Zhou, X.E, Yang, D, de Waal, P, Wang, M.T, Dai, A, Cai, X, Huang, C.Y, Liu, P, Yin, Y, Liu, B, Caffrey, M, Melcher, K, Xu, Y, Wang, M.W, Xu, H.E, Jiang, Y.
Deposit date:2017-03-13
Release date:2018-02-07
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:A common antagonistic mechanism for class A GPCRs revealed by the structure of the human 5-HT1B serotonin receptor bound to an antagonist
Cell Discov, 2018
8J1X
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BU of 8j1x by Molmil
A near-infrared fluorescent protein of de novo backbone design
Descriptor: near-infrared fluorescent protein
Authors:Hu, X, Xu, Y.
Deposit date:2023-04-13
Release date:2023-10-04
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Using Protein Design and Directed Evolution to Monomerize a Bright Near-Infrared Fluorescent Protein.
Acs Synth Biol, 13, 2024
8J1W
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BU of 8j1w by Molmil
A near-infrared fluorescent protein of de novo backbone design
Descriptor: near-infrared fluorescent protein
Authors:Hu, X, Xu, Y.
Deposit date:2023-04-13
Release date:2023-10-04
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Using Protein Design and Directed Evolution to Monomerize a Bright Near-Infrared Fluorescent Protein.
Acs Synth Biol, 13, 2024
6BE7
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BU of 6be7 by Molmil
Solution structure of de novo macrocycle Design8.1
Descriptor: DDPT(DPR)(DAR)Q(DGN)
Authors:Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
Deposit date:2017-10-24
Release date:2018-01-03
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
8BCS
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BU of 8bcs by Molmil
X-ray crystal structure of a de novo designed helix-loop-helix homodimer in an anti arrangement, CC-HP1.0
Descriptor: ACETATE ION, CC-HP1.0
Authors:Edgell, C.L, Mylemans, B, Naudin, E.A, Smith, A.J, Savery, N.J, Woolfson, D.N.
Deposit date:2022-10-17
Release date:2023-06-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design and Selection of Heterodimerizing Helical Hairpins for Synthetic Biology.
Acs Synth Biol, 12, 2023
4YFO
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BU of 4yfo by Molmil
beta1_ex1
Descriptor: beta1_ex1
Authors:Murray, J.W, MacDonald, J.T.
Deposit date:2015-02-25
Release date:2016-03-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.39 Å)
Cite:Synthetic beta-solenoid proteins with the fragment-free computational design of a beta-hairpin extension.
Proc.Natl.Acad.Sci.USA, 113, 2016
5CWF
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BU of 5cwf by Molmil
Crystal structure of de novo designed helical repeat protein DHR8
Descriptor: CALCIUM ION, 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 (1.8 Å)
Cite:Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
5CWJ
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BU of 5cwj by Molmil
Crystal structure of de novo designed helical repeat protein DHR49
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 (1.7 Å)
Cite:Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
5CWP
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BU of 5cwp by Molmil
Crystal structure of de novo designed helical repeat protein DHR79
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
5D2X
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BU of 5d2x by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 6 Round5
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, De novo desinged kemp eliminase KE07
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2015-08-06
Release date:2016-09-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 1 Wild Type
To Be Published
5CWQ
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BU of 5cwq by Molmil
Crystal structure of de novo designed helical repeat protein DHR81
Descriptor: 1,2-ETHANEDIOL, Designed helical repeat protein, GLYCEROL, ...
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 (2.05 Å)
Cite:Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
5CWL
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BU of 5cwl by Molmil
Crystal structure of de novo designed helical repeat protein DHR54
Descriptor: Designed helical repeat protein, SODIUM ION, 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 (1.5 Å)
Cite:Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
5DI5
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BU of 5di5 by Molmil
beta1 t801 loop variant in P3221
Descriptor: beta1 t801 loop variant
Authors:MacDonald, J.T, Kabasakal, B.V, Murray, J.W.
Deposit date:2015-08-31
Release date:2016-08-31
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Synthetic beta-solenoid proteins with the fragment-free computational design of a beta-hairpin extension.
Proc.Natl.Acad.Sci.USA, 113, 2016
5DNS
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BU of 5dns by Molmil
t1428 loop variant in P3221
Descriptor: t1428 beta1 loop design
Authors:MacDonald, J.T, Kabasakal, B.V, Murray, J.W.
Deposit date:2015-09-10
Release date:2016-09-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.561 Å)
Cite:Synthetic beta-solenoid proteins with the fragment-free computational design of a beta-hairpin extension.
Proc.Natl.Acad.Sci.USA, 113, 2016
5DRA
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BU of 5dra by Molmil
t3284 loop variant of beta1
Descriptor: 3beta1
Authors:Kabasakal, B.V, MacDonald, J.T, Murray, W.W.
Deposit date:2015-09-15
Release date:2016-08-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Synthetic beta-solenoid proteins with the fragment-free computational design of a beta-hairpin extension.
Proc.Natl.Acad.Sci.USA, 113, 2016
5DN0
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BU of 5dn0 by Molmil
t1555 loop variant
Descriptor: beta1 t1555 loop variant
Authors:MacDonald, J.T, Kabasakal, B.V, Murray, J.W.
Deposit date:2015-09-09
Release date:2016-08-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (4.4 Å)
Cite:Synthetic beta-solenoid proteins with the fragment-free computational design of a beta-hairpin extension.
Proc.Natl.Acad.Sci.USA, 113, 2016
5DZB
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BU of 5dzb by Molmil
6beta1
Descriptor: 6beta1
Authors:Kabasakal, B.V, MacDonald, J.T, Murray, W.W.
Deposit date:2015-09-25
Release date:2016-08-31
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.33 Å)
Cite:Synthetic beta-solenoid proteins with the fragment-free computational design of a beta-hairpin extension.
Proc.Natl.Acad.Sci.USA, 113, 2016
5DQA
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BU of 5dqa by Molmil
t3284 loop variant of beta1
Descriptor: t3284
Authors:Kabasakal, B.V, MacDonald, J.T, Murray, W.W.
Deposit date:2015-09-14
Release date:2016-08-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.27 Å)
Cite:Synthetic beta-solenoid proteins with the fragment-free computational design of a beta-hairpin extension.
Proc.Natl.Acad.Sci.USA, 113, 2016
4KYB
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BU of 4kyb by Molmil
Crystal Structure of de novo designed serine hydrolase OSH55.14_E3, Northeast Structural Genomics Consortium Target OR342
Descriptor: Designed Protein OR342, PHOSPHATE ION
Authors:Kuzin, A, Lew, S, Rajagopalan, S, Seetharaman, J, Mao, L, Xiao, R, Lee, D, Raja, S, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-05-28
Release date:2013-06-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.909 Å)
Cite:Northeast Structural Genomics Consortium Target OR342
To be Published
2MXG
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BU of 2mxg by Molmil
NMR resolved structure of VG16KRKP, an antimicrobial peptide in D8PG micelles
Descriptor: antimicrobial peptide
Authors:Bhunia, A, Datta, A.
Deposit date:2015-01-01
Release date:2015-02-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:De-novo design of antimicrobial peptides:insights into membrane permeabilisation, lipopolysachharide fragmentation and application in plant disease control
To be Published

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