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3TC6
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BU of 3tc6 by Molmil
Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR63.
分子名称: DI(HYDROXYETHYL)ETHER, Indole-3-glycerol phosphate synthase, PHOSPHATE ION
著者Vorobiev, S, Su, M, Bjelic, S, Kipnis, Y, Wang, L, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2011-08-08
公開日2011-08-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Exploration of alternate catalytic mechanisms and optimization strategies for retroaldolase design.
J.Mol.Biol., 426, 2014
3TC7
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BU of 3tc7 by Molmil
Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR62.
分子名称: ACETIC ACID, Indole-3-glycerol phosphate synthase, PHOSPHATE ION
著者Vorobiev, S, Su, M, Bjelic, S, Kipnis, Y, Wang, L, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2011-08-08
公開日2011-08-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Exploration of alternate catalytic mechanisms and optimization strategies for retroaldolase design.
J.Mol.Biol., 426, 2014
5EC0
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BU of 5ec0 by Molmil
Crystal Structure of Actin-like protein Alp7A
分子名称: ADENOSINE-5'-DIPHOSPHATE, Alp7A, GLYCEROL, ...
著者Petek, N.A, Kraemer, J.A, Mullins, R.D, Agard, D.A, DiMaio, F, Baker, D.
登録日2015-10-20
公開日2016-11-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and function of Alp7A reveal both conserved and unique features of plasmid segregation.
To Be Published
5EIL
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BU of 5eil by Molmil
Computational design of a high-affinity metalloprotein homotrimer containing a metal chelating non-canonical amino acid
分子名称: FE (III) ION, TRI-05
著者Sankaran, B, Zwart, P.H, Mills, J.H, Pereira, J.H, Baker, D.
登録日2015-10-30
公開日2016-11-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Computational design of a homotrimeric metalloprotein with a trisbipyridyl core.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
3U13
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BU of 3u13 by Molmil
Crystal Structure of de Novo design of cystein esterase ECH13 at the resolution 1.6A, Northeast Structural Genomics Consortium Target OR51
分子名称: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, PHOSPHATE ION, ...
著者Kuzin, A, Su, M, Seetharaman, J, Sahdev, S, Xiao, R, Kohan, E, Richter, F, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2011-09-29
公開日2011-11-23
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Computational design of catalytic dyads and oxyanion holes for ester hydrolysis.
J.Am.Chem.Soc., 134, 2012
3U1O
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BU of 3u1o by Molmil
THREE DIMENSIONAL STRUCTURE OF DE NOVO DESIGNED CYSTEINE ESTERASE ECH19, Northeast Structural Genomics Consortium Target OR49
分子名称: De Novo design cysteine esterase ECH19, SODIUM ION, SULFATE ION
著者Kuzin, A, Su, M, Lew, S, Forouhar, F, Seetharaman, J, Daya, P, Xiao, R, Ciccosanti, C, Richter, F, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2011-09-30
公開日2011-10-26
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.494 Å)
主引用文献Computational design of catalytic dyads and oxyanion holes for ester hydrolysis.
J.Am.Chem.Soc., 134, 2012
3J03
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BU of 3j03 by Molmil
Lidless Mm-cpn in the closed state with ATP/AlFx
分子名称: Lidless Mm-cpn
著者Zhang, J, Ma, B, DiMaio, F, Douglas, N.R, Joachimiak, L, Baker, D, Frydman, J, Levitt, M, Chiu, W.
登録日2011-02-10
公開日2011-05-18
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Cryo-EM structure of a group II chaperonin in the prehydrolysis ATP-bound state leading to lid closure.
Structure, 19, 2011
6UG2
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BU of 6ug2 by Molmil
C2 symmetric peptide design number 1, Zappy, crystal form 2
分子名称: C2-1, Zappy, crystal form 2, ...
著者Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
登録日2019-09-25
公開日2020-12-02
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UFA
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BU of 6ufa by Molmil
S4 symmetric peptide design number 1, Tim zinc-bound form
分子名称: S4-1, Tim, Zinc-bound form, ...
著者Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
登録日2019-09-24
公開日2020-12-02
実験手法X-RAY DIFFRACTION (0.77 Å)
主引用文献Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UF4
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BU of 6uf4 by Molmil
S2 symmetric peptide design number 4 crystal form 2, Pugsley
分子名称: S2-4, Pusgley crystal form 2
著者Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
登録日2019-09-23
公開日2020-12-02
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UF9
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BU of 6uf9 by Molmil
S4 symmetric peptide design number 1, Tim apo form
分子名称: S4-1, Tim apo-form, SULFATE ION
著者Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
登録日2019-09-24
公開日2020-12-02
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UG6
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BU of 6ug6 by Molmil
C3 symmetric peptide design number 1, Sporty, crystal form 2
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, C3-1, ...
著者Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
登録日2019-09-25
公開日2020-12-02
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UDW
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BU of 6udw by Molmil
S2 symmetric peptide design number 3 crystal form 2, Lurch
分子名称: S2-3, Lurch crystal form 2
著者Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
登録日2019-09-19
公開日2020-09-23
最終更新日2020-12-02
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UGB
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BU of 6ugb by Molmil
C3 symmetric peptide design number 2, Baby Basil
分子名称: C3 symmetric peptide design number 2, Baby Basil, CHLORIDE ION, ...
著者Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
登録日2019-09-26
公開日2020-12-02
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UF7
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BU of 6uf7 by Molmil
S2 symmetric peptide design number 5, Uncle Fester
分子名称: S2-5, Uncle Fester
著者Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
登録日2019-09-23
公開日2020-12-02
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UF8
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BU of 6uf8 by Molmil
S2 symmetric peptide design number 6, London Bridge
分子名称: S2-6, London Bridge
著者Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
登録日2019-09-23
公開日2020-12-02
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UFU
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BU of 6ufu by Molmil
C2 symmetric peptide design number 1, Zappy, crystal form 1
分子名称: C2-1, Zappy, crystal form 1
著者Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
登録日2019-09-25
公開日2020-12-02
実験手法X-RAY DIFFRACTION (1.101 Å)
主引用文献Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UG3
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BU of 6ug3 by Molmil
C3 symmetric peptide design number 1, Sporty, crystal form 1
分子名称: C3-1, Sporty, crystal form 1, ...
著者Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
登録日2019-09-25
公開日2020-12-02
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UGC
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BU of 6ugc by Molmil
C3 symmetric peptide design number 3
分子名称: C3-3 cyclic peptide design, CADMIUM ION, SODIUM ION
著者Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
登録日2019-09-26
公開日2020-12-02
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UDR
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BU of 6udr by Molmil
S2 symmetric peptide design number 3 crystal form 1, Lurch
分子名称: S2-3, Lurch crystal form 1
著者Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
登録日2019-09-19
公開日2020-09-23
最終更新日2020-12-02
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UD9
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BU of 6ud9 by Molmil
S2 symmetric peptide design number 2, Morticia
分子名称: S2-2, Morticia
著者Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
登録日2019-09-19
公開日2020-09-23
最終更新日2020-12-02
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UCX
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BU of 6ucx by Molmil
S2 symmetric peptide design number 1, Wednesday
分子名称: S2-1, Wednesday, trifluoroacetic acid
著者Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
登録日2019-09-18
公開日2020-09-23
最終更新日2021-07-28
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UDZ
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BU of 6udz by Molmil
S2 symmetric peptide design number 4 crystal form 1, Pugsley
分子名称: S2-4, Pusgley crystal form 1, trifluoroacetic acid
著者Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
登録日2019-09-20
公開日2020-09-23
最終更新日2020-12-02
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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
4A2R
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BU of 4a2r by Molmil
Structure of the engineered retro-aldolase RA95.5-5
分子名称: 1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE, INDOLE-3-GLYCEROL PHOSPHATE SYNTHASE
著者Giger, L, Caner, S, Kast, P, Baker, D, Ban, N, Hilvert, D.
登録日2011-09-28
公開日2012-11-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.302 Å)
主引用文献Evolution of a designed retro-aldolase leads to complete active site remodeling.
Nat.Chem.Biol., 9, 2013

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