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5WLM
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BU of 5wlm by Molmil
De Novo Design of Polynuclear Transition Metal Clusters in Helix Bundles-4DH2
分子名称: Helical Bundle 4DH2, ZINC ION
著者Zhang, S.-Q, Liu, L, DeGrado, W.F.
登録日2017-07-27
公開日2018-01-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献De Novo Design of Tetranuclear Transition Metal Clusters Stabilized by Hydrogen-Bonded Networks in Helical Bundles.
J. Am. Chem. Soc., 140, 2018
7OT8
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BU of 7ot8 by Molmil
DeNovoTIM6-SB, a de novo designed TIM barrel with a salt-bridge cluster (crystal form 2)
分子名称: DeNovoTIM6-SB, SULFATE ION
著者Kordes, S, Romero-Romero, S, Hocker, B.
登録日2021-06-09
公開日2021-12-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献A newly introduced salt bridge cluster improves structural and biophysical properties of de novo TIM barrels.
Protein Sci., 31, 2022
2A3D
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BU of 2a3d by Molmil
SOLUTION STRUCTURE OF A DE NOVO DESIGNED SINGLE CHAIN THREE-HELIX BUNDLE (A3D)
分子名称: PROTEIN (DE NOVO THREE-HELIX BUNDLE)
著者Walsh, S.T.R, Cheng, H, Bryson, J.W, Roder, H, Degrado, W.F.
登録日1999-04-01
公開日1999-05-05
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution structure and dynamics of a de novo designed three-helix bundle protein.
Proc.Natl.Acad.Sci.USA, 96, 1999
8A09
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BU of 8a09 by Molmil
A hexameric barrel state of a de novo coiled-coil assembly: CC-Type2-(QgLaId)4
分子名称: A hexameric barrel state of a de novo coiled-coil assembly: CC-Type2-(QgLaId)4, GLYCEROL
著者Martin, F.J.O, Rhys, G.G, Dawson, W.M, Woolfson, D.N.
登録日2022-05-27
公開日2022-06-15
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
8JU8
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de novo designed protein
分子名称: de novo designed protein
著者Zhang, L.
登録日2023-06-25
公開日2023-07-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献de novo designed Rossmann fold protein
To Be Published
8H7E
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BU of 8h7e by Molmil
Crystal structure of a de novo enzyme, ferric enterobactin esterase Syn-F4 (K4T) at 2.0 angstrom resolution
分子名称: ACETATE ION, De novo ferric enterobactin esterase Syn-F4
著者Kurihara, K, Umezawa, K, Donnelly, A.E, Hecht, M.H, Arai, R.
登録日2022-10-19
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure and activity of a de novo enzyme, ferric enterobactin esterase Syn-F4.
Proc.Natl.Acad.Sci.USA, 120, 2023
8H7C
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BU of 8h7c by Molmil
Crystal structure of a de novo enzyme, ferric enterobactin esterase Syn-F4 (K4T) - Pt derivative
分子名称: ACETATE ION, CHLORIDE ION, De novo ferric enterobactin esterase Syn-F4, ...
著者Kurihara, K, Umezawa, K, Donnelly, A.E, Hecht, M.H, Arai, R.
登録日2022-10-19
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure and activity of a de novo enzyme, ferric enterobactin esterase Syn-F4.
Proc.Natl.Acad.Sci.USA, 120, 2023
8H7D
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BU of 8h7d by Molmil
Crystal structure of a de novo enzyme, ferric enterobactin esterase Syn-F4 (K4T)
分子名称: ACETATE ION, De novo ferric enterobactin esterase Syn-F4
著者Kurihara, K, Umezawa, K, Donnelly, A.E, Hecht, M.H, Arai, R.
登録日2022-10-19
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure and activity of a de novo enzyme, ferric enterobactin esterase Syn-F4.
Proc.Natl.Acad.Sci.USA, 120, 2023
5JG9
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BU of 5jg9 by Molmil
Crystal structure of the de novo mini protein gEHEE_06
分子名称: CHLORIDE ION, GLYCEROL, de novo design, ...
著者Rupert, P.B, Johnsen, W.A.
登録日2016-04-19
公開日2016-09-28
最終更新日2016-11-02
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
6DS9
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BU of 6ds9 by Molmil
Elongated version of a de novo designed three helix bundle structure (GRa3D)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, THIOCYANATE ION, ...
著者Koebke, K.J, Ruckthong, L.R, Meagher, J.L, Stuckey, J.A, Pecoraro, V.L.
登録日2018-06-13
公開日2018-10-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Clarifying the Copper Coordination Environment in a de Novo Designed Red Copper Protein.
Inorg Chem, 57, 2018
7RMY
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BU of 7rmy by Molmil
De Novo designed tunable protein pockets, D_3-337
分子名称: De Novo designed tunable homodimer, D_3-337
著者Bera, A.K, Hicks, D.R, Kang, A, Sankaran, B, Baker, D.
登録日2021-07-28
公開日2022-08-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献De novo design of protein homodimers containing tunable symmetric protein pockets.
Proc.Natl.Acad.Sci.USA, 119, 2022
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
6W40
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BU of 6w40 by Molmil
An enumerative algorithm for de novo design of proteins with diverse pocket structures
分子名称: DENOVO NTF2
著者Bera, A.K, Basanta, B, Sankaran, B, Baker, D.
登録日2020-03-09
公開日2020-04-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献An enumerative algorithm for de novo design of proteins with diverse pocket structures.
Proc.Natl.Acad.Sci.USA, 117, 2020
6W9Y
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BU of 6w9y by Molmil
De novo designed receptor transmembrane domains enhance CAR-T cytotoxicity and attenuate cytokine release
分子名称: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, De novo designed receptor transmembrane domain proMP 1.2
著者Call, M.J, Call, M.E, Chandler, N.J, Nguyen, J.V, Trenker, R.
登録日2020-03-24
公開日2021-03-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献De novo designed receptor transmembrane domains enhance CAR-T cytotoxicity and attenuate cytokine release
To Be Published
6W9Z
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BU of 6w9z by Molmil
De novo designed receptor transmembrane domains enhance CAR-T cytotoxicity and attenuate cytokine release
分子名称: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, De novo designed receptor transmembrane domain ProMP C2.1
著者Call, M.J, Call, M.E, Chandler, N.J, Nguyen, J.V, Trenker, R.
登録日2020-03-24
公開日2021-03-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献De novo designed receptor transmembrane domains enhance CAR-T cytotoxicity and attenuate cytokine release
To Be Published
5VJU
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BU of 5vju by Molmil
De Novo Photosynthetic Reaction Center Protein Variant Equipped with His-Tyr H-bond, Heme B, and Cd(II) ions
分子名称: CADMIUM ION, PROTOPORPHYRIN IX CONTAINING FE, Reaction Center Maquette Leu71His variant
著者Ennist, N.M, Stayrook, S.E, Dutton, P.L, Moser, C.C.
登録日2017-04-19
公開日2018-04-25
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献De novo protein design of photochemical reaction centers.
Nat Commun, 13, 2022
5VJT
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BU of 5vjt by Molmil
De Novo Photosynthetic Reaction Center Protein Equipped with Heme B and Zn(II) cations
分子名称: CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, Reaction Center Maquette, ...
著者Ennist, N.M, Stayrook, S.E, Dutton, P.L, Moser, C.C.
登録日2017-04-19
公開日2018-04-25
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献De novo protein design of photochemical reaction centers.
Nat Commun, 13, 2022
5VJS
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BU of 5vjs by Molmil
De Novo Photosynthetic Reaction Center Protein Equipped with Heme B, a synthetic Zn porphyrin, and Zn(II) cations
分子名称: CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, Reaction Center Maquette, ...
著者Ennist, N.M, Dutton, P.L, Stayrook, S.E, Moser, C.C.
登録日2017-04-19
公開日2018-04-25
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献De novo protein design of photochemical reaction centers.
Nat Commun, 13, 2022
5WOC
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BU of 5woc by Molmil
De Novo Design of Covalently Constrained Meso-size Protein Scaffolds with Unique Tertiary Structures
分子名称: (3-methylphenyl)methanol, SER-PRO-GLU-GLU-ARG-ALA-GLN-LEU-CYS-THR-ALA-ALA-GLU-LYS-ALA-ASP-GLU-LEU-GLY
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
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
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
5FOZ
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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
6NUK
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BU of 6nuk by Molmil
De novo designed protein Ferredog-Diesel
分子名称: Ferredog-Diesel
著者Koepnick, B, Bick, M.J, DiMaio, F, Norgard-Solano, T, Baker, D.
登録日2019-02-01
公開日2019-06-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献De novo protein design by citizen scientists.
Nature, 570, 2019

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