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5V2O
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BU of 5v2o by Molmil
De Novo Design of Novel Covalent Constrained Meso-size Peptide Scaffolds with Unique Tertiary Structures
分子名称: 1,3,5-BENZENETRICARBOXYLIC ACID, GLYCEROL, NONAETHYLENE GLYCOL, ...
著者Dang, B, Wu, H, Mulligan, V.K, Mravic, M, Wu, Y, Lemmin, T, Ford, A, Silva, D, Baker, D, DeGrado, W.F.
登録日2017-03-06
公開日2017-10-04
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献De novo design of covalently constrained mesosize protein scaffolds with unique tertiary structures.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5V2G
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BU of 5v2g by Molmil
De Novo Design of Novel Covalent Constrained Meso-size Peptide Scaffolds with Unique Tertiary Structures
分子名称: 1,3,5-tris(bromomethyl)benzene, 20-mer Peptide
著者Dang, B, Wu, H, Mulligan, V.K, Mravic, M, Wu, Y, Lemmin, T, Ford, A, Silva, D, Baker, D, DeGrado, W.F.
登録日2017-03-03
公開日2017-09-27
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献De novo design of covalently constrained mesosize protein scaffolds with unique tertiary structures.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5WOD
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BU of 5wod by Molmil
De Novo Design of Covalently Constrained Meso-size Protein Scaffolds with Unique Tertiary Structures
分子名称: 38-mer peptide
著者Wu, H, Wu, Y, DeGrado, W.F.
登録日2017-08-01
公開日2017-10-04
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献De novo design of covalently constrained mesosize protein scaffolds with unique tertiary structures.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5FOZ
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BU of 5foz by Molmil
De novo structure of the binary mosquito larvicide BinAB at pH 10
分子名称: LARVICIDAL TOXIN PROTEIN, SODIUM ION, TOXIN
著者Colletier, J.P, Sawaya, M.R, Gingery, M, Rodriguez, J.A, Cascio, D, Brewster, A.S, Michels-Clark, T, Boutet, S, Williams, G.J, Messerschmidt, M, DePonte, D.P, Sierra, R.G, Laksmono, H, Koglin, J.E, Hunter, M.S, W Park, H, Uervirojnangkoorn, M, Bideshi, D.L, Brunger, A.T, Federici, B.A, Sauter, N.K, Eisenberg, D.S.
登録日2015-11-26
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献De Novo Phasing with X-Ray Laser Reveals Mosquito Larvicide Binab Structure.
Nature, 539, 2016
5FOY
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BU of 5foy by Molmil
De novo structure of the binary mosquito larvicide BinAB at pH 7
分子名称: 41.9 KDA INSECTICIDAL TOXIN, LARVICIDAL TOXIN 51 KDA PROTEIN
著者Colletier, J.P, Sawaya, M.R, Gingery, M, Rodriguez, J.A, Cascio, D, Brewster, A.S, Michels-Clark, T, Boutet, S, Williams, G.J, Messerschmidt, M, DePonte, D.P, Sierra, R.G, Laksmono, H, Koglin, J.E, Hunter, M.S, W Park, H, Uervirojnangkoorn, M, Bideshi, D.L, Brunger, A.T, Federici, B.A, Sauter, N.K, Eisenberg, D.S.
登録日2015-11-26
公開日2016-10-05
最終更新日2019-08-28
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献De Novo Phasing with X-Ray Laser Reveals Mosquito Larvicide Binab Structure.
Nature, 539, 2016
6D0T
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BU of 6d0t by Molmil
De novo design of a fluorescence-activating beta barrel - BB1
分子名称: BB1
著者Dou, J, Vorobieva, A.A, Sheffler, W, Doyle, L.A, Park, H, Bick, M.J, Mao, B, Foight, G.W, Lee, M, Carter, L, Sankaran, B, Ovchinnikov, S, Marcos, E, Huang, P, Vaughan, J.C, Stoddard, B.L, Baker, D.
登録日2018-04-10
公開日2018-09-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
1VRZ
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BU of 1vrz by Molmil
Helix turn helix motif
分子名称: ACETATE ION, DE NOVO DESIGNED 21 RESIDUE PEPTIDE
著者Rudresh, Ramakumar, S, Ramagopal, U.A, Inai, Y, Sahal, D.
登録日2005-10-14
公開日2005-11-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献De Novo Design and Characterization of a Helical Hairpin Eicosapeptide; Emergence of an Anion Receptor in the Linker Region.
Structure, 12, 2004
6N9H
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BU of 6n9h by Molmil
De novo designed homo-trimeric amantadine-binding protein
分子名称: (3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine, SODIUM ION, amantadine-binding protein
著者Park, J, Baker, D.
登録日2018-12-03
公開日2019-12-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.039 Å)
主引用文献De novo design of a homo-trimeric amantadine-binding protein.
Elife, 8, 2019
7Q1Q
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BU of 7q1q by Molmil
De novo designed homo-dimeric antiparallel helices Homomer-S
分子名称: ACETATE ION, Homomer-S
著者Shanmugaratnam, S, Rhys, G.G, Dawson, W.M, Woolfson, D.N, Hocker, B.
登録日2021-10-20
公開日2022-07-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献De novo designed peptides for cellular delivery and subcellular localisation.
Nat.Chem.Biol., 18, 2022
6DG5
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BU of 6dg5 by Molmil
Structure of a de novo designed Interleukin-2/Interleukin-15 mimetic complex with IL-2Rb and IL-2Rg
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokine receptor common subunit gamma, ...
著者Jude, K.M, Silva, D.-A, Yu, S, Baker, D, Garcia, K.C.
登録日2018-05-16
公開日2019-01-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.516 Å)
主引用文献De novo design of potent and selective mimics of IL-2 and IL-15.
Nature, 565, 2019
8GLT
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BU of 8glt by Molmil
Backbone model of de novo-designed chlorophyll-binding nanocage O32-15
分子名称: C2-chlorophyll-comp_O32-15_ctermHis, polyalanine model, C3-comp_O32-15
著者Redler, R.L, Ennist, N.M, Wang, S, Baker, D, Ekiert, D.C, Bhabha, G.
登録日2023-03-23
公開日2024-03-27
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (6.5 Å)
主引用文献De novo design of proteins housing excitonically coupled chlorophyll special pairs.
Nat.Chem.Biol., 2024
5BVL
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BU of 5bvl by Molmil
Crystal structure of a de novo designed TIM-barrel
分子名称: designed TIM barrel sTIM11
著者Feldmeier, K, Hocker, B.
登録日2015-06-05
公開日2015-11-18
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.992 Å)
主引用文献De novo design of a four-fold symmetric TIM-barrel protein with atomic-level accuracy.
Nat.Chem.Biol., 12, 2016
7UDJ
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BU of 7udj by Molmil
Crystal structure of designed helical repeat protein RPB_PEW3_R4 bound to PAWx4 peptide
分子名称: 4xPAW peptide, De novo designed helical repeat protein RPB_PEW3_R4
著者Redler, R.L, Chang, Y, Bhabha, G, Ekiert, D.
登録日2022-03-20
公開日2023-03-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献De novo design of modular peptide-binding proteins by superhelical matching.
Nature, 616, 2023
7UR7
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BU of 7ur7 by Molmil
17_bp_sh3, a small beta-barrel de novo designed protein
分子名称: 17_bp_sh3
著者Bera, A.K, Kim, D, Baker, D.
登録日2022-04-21
公開日2023-03-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献De novo design of small beta barrel proteins.
Proc.Natl.Acad.Sci.USA, 120, 2023
7UR8
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BU of 7ur8 by Molmil
170_h_ob, a small beta-barrel de novo designed protein
分子名称: 170_h_ob
著者Bera, A.K, Kim, D, Baker, D.
登録日2022-04-21
公開日2023-03-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献De novo design of small beta barrel proteins.
Proc.Natl.Acad.Sci.USA, 120, 2023
7XAD
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BU of 7xad by Molmil
Crystal strucutre of PD-L1 and DBL2_02 designed protein binder
分子名称: DBL2_02 binder, Programmed cell death 1 ligand 1
著者Liu, K.F, Xu, Z.P, Han, P, Pacesa, M, Gao, G.F, Chai, Y, Tan, S.G.
登録日2022-03-17
公開日2023-04-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
5C2M
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BU of 5c2m by Molmil
The de novo evolutionary emergence of a symmetrical protein is shaped by folding constraints
分子名称: Predicted protein
著者Smock, R.G, Yadid, I, Dym, O, Clarke, J, Tawfik, D.S.
登録日2015-06-16
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献De Novo Evolutionary Emergence of a Symmetrical Protein Is Shaped by Folding Constraints.
Cell, 164, 2016
5C2N
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BU of 5c2n by Molmil
The de novo evolutionary emergence of a symmetrical protein is shaped by folding constraints
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta propeller
著者Smock, R.G, Yadid, I, Dym, O, Clarke, J, Tawfik, D.S.
登録日2015-06-16
公開日2016-01-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献De Novo Evolutionary Emergence of a Symmetrical Protein Is Shaped by Folding Constraints.
Cell, 164, 2016
6DG6
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BU of 6dg6 by Molmil
Structure of a de novo designed Interleukin-2/Interleukin-15 mimetic
分子名称: Neoleukin-2/15
著者Jude, K.M, Silva, D.-A, Yu, S, Baker, D, Garcia, K.C.
登録日2018-05-16
公開日2019-01-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献De novo design of potent and selective mimics of IL-2 and IL-15.
Nature, 565, 2019
7DKO
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BU of 7dko by Molmil
De novo design protein AM2M
分子名称: de novo designed protein AM2M
著者Bin, H.
登録日2020-11-25
公開日2021-12-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
7DGU
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BU of 7dgu by Molmil
De novo designed protein H4A1R
分子名称: de novo designed protein H4A1R
著者Xu, Y, Liao, S, Chen, Q, Liu, H.
登録日2020-11-12
公開日2021-11-24
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
7DKK
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BU of 7dkk by Molmil
De novo design protein XM2H
分子名称: De novo design protein XM2H
著者Bin, H.
登録日2020-11-24
公開日2021-12-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
7DGY
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BU of 7dgy by Molmil
De novo designed protein H4C2R
分子名称: de novo designed protein H4C2R
著者Xu, Y, Liao, S, Chen, Q, Liu, H.
登録日2020-11-12
公開日2021-12-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
6EIZ
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BU of 6eiz by Molmil
A de novo designed hexameric coiled coil CC-Hex2 with farnesol bound in the channel.
分子名称: (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol, CC-Hex2
著者Rhys, G.G, Burton, A.J, Dawson, W.M, Thomas, F, Woolfson, D.N.
登録日2017-09-19
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献De Novo-Designed alpha-Helical Barrels as Receptors for Small Molecules.
ACS Synth Biol, 7, 2018
6EIK
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BU of 6eik by Molmil
A de novo designed heptameric coiled coil CC-Hept-I24E
分子名称: CC-Hept-I24E, FORMIC ACID, GLYCEROL
著者Rhys, G.G, Burton, A.J, Dawson, W.M, Thomas, F, Woolfson, D.N.
登録日2017-09-19
公開日2018-07-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献De Novo-Designed alpha-Helical Barrels as Receptors for Small Molecules.
ACS Synth Biol, 7, 2018

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