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6BEO
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BU of 6beo by Molmil
Solution structure of de novo macrocycle design9.1
分子名称: (DPR)PY(DHI)PKDL(DGN)
著者Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
登録日2017-10-25
公開日2017-12-27
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献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
分子名称: AAR(DVA)(DPR)R(DLE)(DTH)PE
著者Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
登録日2017-10-25
公開日2018-01-10
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献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
分子名称: T(DLY)NDT(DSG)(DPR)
著者Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, B.
登録日2017-10-24
公開日2017-12-27
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献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
分子名称: (DCY)N(DVA)(DPR)DVYC(DPR)(DSG)KY(DVA)(DPR)
著者Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
登録日2017-10-25
公開日2017-12-27
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
4RJV
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BU of 4rjv by Molmil
Crystal Structure of a De Novo Designed Ferredoxin Fold, Northeast Structural Genomics Consortium (NESG) Target OR461
分子名称: OR461
著者O'Connell, P.T, Lin, Y.-R, Guan, R, Koga, N, Koga, R, Seetharaman, J, Janjua, H, Xiao, R, Maglaqui, M, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2014-10-09
公開日2014-10-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.523 Å)
主引用文献Northeast Structural Genomics Consortium Target OR461
To be published
8BCT
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BU of 8bct by Molmil
X-ray crystal structure of a de novo selected helix-loop-helix heterodimer in a syn arrangement, 26alpha/26beta
分子名称: 26alpha, 26beta, ACETATE ION, ...
著者Naudin, E.A, Mylemans, B, Smith, A.J, Savery, N.J, Woolfson, D.N.
登録日2022-10-17
公開日2023-06-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design and Selection of Heterodimerizing Helical Hairpins for Synthetic Biology.
Acs Synth Biol, 12, 2023
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
分子名称: rossmann 2x2 fold protein
著者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)
登録日2009-10-17
公開日2009-12-01
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution NMR structure of denovo designed rossmann 2x2 fold protein, Northeast Structural Genomics Consortium target OR16
To be Published
6V67
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BU of 6v67 by Molmil
Apo Structure of the De Novo PD-1 Binding Miniprotein GR918.2
分子名称: PD-1 Binding Miniprotein GR918.2
著者Bick, M.J, Bryan, C.M, Baker, D, Dimaio, F, Kang, A.
登録日2019-12-04
公開日2020-12-09
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Computational design of a synthetic PD-1 agonist.
Proc.Natl.Acad.Sci.USA, 118, 2021
7N2Y
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BU of 7n2y by Molmil
Crystal Structure of a de Novo Three-stranded Coiled Coil Peptide Containing a dual Tris-thiolate Binding Site for Heavy Metal Complexes
分子名称: Apo-(GRAND CoilSerL16CL23C)3, ZINC ION
著者Ruckthong, L, Stuckey, J.A, Pecoraro, V.L.
登録日2021-05-30
公開日2022-06-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Open Reading Frame 1 Protein of the Human Long Interspersed Nuclear Element 1 Retrotransposon Binds Multiple Equivalents of Lead.
J.Am.Chem.Soc., 143, 2021
7N2Z
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BU of 7n2z by Molmil
Crystal Structure of a de Novo Three-stranded Coiled Coil Peptide Containing Trigonal Pyrmidal Pb(II) complexes in the dual Tris-thiolate Site
分子名称: CHLORIDE ION, LEAD (II) ION, Pb(II)2-(GRAND CoilSerL16CL23C)3, ...
著者Ruckthong, L, Stuckey, J.A, Pecoraro, V.L.
登録日2021-05-30
公開日2022-06-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Open Reading Frame 1 Protein of the Human Long Interspersed Nuclear Element 1 Retrotransposon Binds Multiple Equivalents of Lead.
J.Am.Chem.Soc., 143, 2021
7O1D
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BU of 7o1d by Molmil
A de novo Enzyme for the Morita-Baylis-Hillman Reaction BH32.7
分子名称: BH32.7 protein
著者Levy, C.W.
登録日2021-03-29
公開日2021-11-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Engineering an efficient and enantioselective enzyme for the Morita-Baylis-Hillman reaction.
Nat.Chem., 14, 2022
4OW4
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BU of 4ow4 by Molmil
Beta-trefoil designed by folding nucleus symmetric expansion ("Phifoil")
分子名称: Beta-terfoil designed by folding nucleus symmetric expansion ("Phifoil"), SULFATE ION
著者Blaber, M, Longo, L.M.
登録日2014-01-31
公開日2014-12-17
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.148 Å)
主引用文献Evolution and design of protein structure by folding nucleus symmetric expansion.
Structure, 22, 2014
7MWQ
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BU of 7mwq by Molmil
Structure of De Novo designed beta sheet heterodimer LHD29A53/B53
分子名称: LHD29A53, LHD29B53
著者Bera, A.K, Sahtoe, D.D, Kang, A, Praetorius, F, Baker, D.
登録日2021-05-17
公開日2022-01-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Reconfigurable asymmetric protein assemblies through implicit negative design.
Science, 375, 2022
7MWR
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BU of 7mwr by Molmil
Structure of De Novo designed beta sheet heterodimer LHD101A53/B4
分子名称: LHD101A54, LHD101B4, MALONATE ION
著者Bera, A.K, Sahtoe, D.D, Kang, A, Praetorius, F, Baker, D.
登録日2021-05-17
公開日2022-01-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Reconfigurable asymmetric protein assemblies through implicit negative design.
Science, 375, 2022
5VSG
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BU of 5vsg by Molmil
Fibrils of the super helical repeat peptide, SHR-FF, grown at elevated temperature
分子名称: Super Helical Repeat Peptide SHR-FF
著者Mondal, S, Sawaya, M.R, Eisenberg, D.S, Gazit, E.
登録日2017-05-11
公開日2018-06-27
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献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).
分子名称: CHLORIDE ION, peptide 1
著者Spencer, R.K, Hochbaum, A.I.
登録日2017-05-30
公開日2017-10-04
最終更新日2022-12-14
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献The Phe-Ile Zipper: A Specific Interaction Motif Drives Antiparallel Coiled-Coil Hexamer Formation.
Biochemistry, 56, 2017
5DZB
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BU of 5dzb by Molmil
6beta1
分子名称: 6beta1
著者Kabasakal, B.V, MacDonald, J.T, Murray, W.W.
登録日2015-09-25
公開日2016-08-31
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.33 Å)
主引用文献Synthetic beta-solenoid proteins with the fragment-free computational design of a beta-hairpin extension.
Proc.Natl.Acad.Sci.USA, 113, 2016
6EGN
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BU of 6egn by Molmil
Crystal Structure of a Three-stranded Coiled Coil Peptide Containing a Trigonal Planar Hg(II)S3 Site Modified by D-Leu in the Second Coordination Sphere
分子名称: CHLORIDE ION, Hg(II)(GRAND CoilSerL16CL19(DLE))3-, MERCURY (II) ION, ...
著者Ruckthong, L, Stuckey, J.A, Pecoraro, V.L.
登録日2018-08-20
公開日2019-04-03
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献How Outer Coordination Sphere Modifications Can Impact Metal Structures in Proteins: A Crystallographic Evaluation.
Chemistry, 25, 2019
5DQA
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BU of 5dqa by Molmil
t3284 loop variant of beta1
分子名称: t3284
著者Kabasakal, B.V, MacDonald, J.T, Murray, W.W.
登録日2015-09-14
公開日2016-08-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.27 Å)
主引用文献Synthetic beta-solenoid proteins with the fragment-free computational design of a beta-hairpin extension.
Proc.Natl.Acad.Sci.USA, 113, 2016
6BE7
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BU of 6be7 by Molmil
Solution structure of de novo macrocycle Design8.1
分子名称: DDPT(DPR)(DAR)Q(DGN)
著者Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
登録日2017-10-24
公開日2018-01-03
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
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
分子名称: CHLORIDE ION, De novo protein based on the inhibitor Amoebiasin-1, E3 ubiquitin-protein ligase Mdm2, ...
著者Jimenez-Sandoval, P, Brieba, L.G.
登録日2016-08-08
公開日2017-10-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.923 Å)
主引用文献Mimicking a p53-MDM2 interaction based on a stable immunoglobulin-like domain scaffold.
Proteins, 86, 2018
5DN0
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BU of 5dn0 by Molmil
t1555 loop variant
分子名称: beta1 t1555 loop variant
著者MacDonald, J.T, Kabasakal, B.V, Murray, J.W.
登録日2015-09-09
公開日2016-08-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (4.4 Å)
主引用文献Synthetic beta-solenoid proteins with the fragment-free computational design of a beta-hairpin extension.
Proc.Natl.Acad.Sci.USA, 113, 2016
2LSE
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BU of 2lse by Molmil
Solution NMR Structure of De Novo Designed Four Helix Bundle Protein, Northeast Structural Genomics Consortium (NESG) Target OR188
分子名称: Four Helix Bundle Protein
著者Sathyamoorthy, B, Pulavarti, S, Murphy, G, Mills, J.L, Eletski, A, Der, B.S, Machius, M.C, Kuhlman, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2012-04-28
公開日2012-06-27
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution NMR Structure of a Denovo Design Four Helix Bundle Protein, Northeast Structural Genomics Consortium Target OR188
To be Published
4YFO
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BU of 4yfo by Molmil
beta1_ex1
分子名称: beta1_ex1
著者Murray, J.W, MacDonald, J.T.
登録日2015-02-25
公開日2016-03-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.39 Å)
主引用文献Synthetic beta-solenoid proteins with the fragment-free computational design of a beta-hairpin extension.
Proc.Natl.Acad.Sci.USA, 113, 2016
4YXY
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BU of 4yxy by Molmil
Computationally designed left-handed alpha/alpha toroid with 9 repeats; two linked rings of 12 repeats each structure
分子名称: dTor_9x31L
著者Doyle, L, Stoddard, B.L, Bradley, P.
登録日2015-03-23
公開日2015-12-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.203 Å)
主引用文献Rational design of alpha-helical tandem repeat proteins with closed architectures.
Nature, 528, 2015

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件を2024-07-17に公開中

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