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4LQ0
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BU of 4lq0 by Molmil
Crystal structure of the I-LtrWI LAGLIDADG homing endonuclease bound to target DNA.
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Chik, J, Shen, B, Stoddard, B.
登録日2013-07-16
公開日2014-07-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Structural Comparisons of LAGLIDADG Homing Endonucleases.
To be Published
4LOX
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BU of 4lox by Molmil
Crystal structure of the I-SmaMI LAGLIDADG homing endonuclease bound to cleaved DNA
分子名称: DNA (5'-D(*CP*GP*TP*AP*CP*AP*CP*CP*TP*GP*AP*TP*AP*A)-3'), DNA (5'-D(*GP*GP*TP*AP*TP*CP*CP*TP*CP*CP*AP*TP*TP*AP*T)-3'), DNA (5'-D(P*CP*AP*GP*GP*TP*GP*TP*AP*CP*G)-3'), ...
著者Chik, J, Shen, B, Stoddard, B.
登録日2013-07-14
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Crystal structure of a LAGLIDADG endonuclease from the Sordaria Macrospore.
To be Published
3G77
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BU of 3g77 by Molmil
Bacterial cytosine deaminase V152A/F316C/D317G mutant
分子名称: Cytosine deaminase, FE (III) ION
著者Stoddard, B, Zhao, L.
登録日2009-02-09
公開日2009-09-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Bacterial cytosine deaminase mutants created by molecular engineering show improved 5-fluorocytosine-mediated cell killing in vitro and in vivo.
Cancer Res., 69, 2009
7RKC
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BU of 7rkc by Molmil
Computationally designed tunable C2 symmetric tandem repeat homodimer, D_3_633
分子名称: ACETATE ION, D_3_633
著者Kennedy, M.A, Stoddard, B.L, Hicks, D.R, Bera, A.K.
登録日2021-07-22
公開日2022-05-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献De novo design of protein homodimers containing tunable symmetric protein pockets.
Proc.Natl.Acad.Sci.USA, 119, 2022
7T8L
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BU of 7t8l by Molmil
BrxR from Acinetobacter BREX type I phage restriction system
分子名称: 1,2-ETHANEDIOL, BrxR, CHLORIDE ION
著者Doyle, L, Kaiser, B, Stoddard, B.
登録日2021-12-16
公開日2022-05-18
最終更新日2022-06-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification and characterization of the WYL BrxR protein and its gene as separable regulatory elements of a BREX phage restriction system.
Nucleic Acids Res., 50, 2022
7T8K
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BU of 7t8k by Molmil
BrxR from Acinetobacter BREX type I phage restriction system bound to DNA
分子名称: 1,2-ETHANEDIOL, BrxR, CHLORIDE ION, ...
著者Doyle, L, Kaiser, B, Stoddard, B.
登録日2021-12-16
公開日2022-05-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification and characterization of the WYL BrxR protein and its gene as separable regulatory elements of a BREX phage restriction system.
Nucleic Acids Res., 50, 2022
5IEN
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BU of 5ien by Molmil
Structure of CDL2.2, a computationally designed Vitamin-D3 binder
分子名称: 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL, CDL2.2, GLYCEROL
著者Stoddard, B.L, Doyle, L.A.
登録日2016-02-25
公開日2017-03-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.089 Å)
主引用文献Unintended specificity of an engineered ligand-binding protein facilitated by unpredicted plasticity of the protein fold.
Protein Eng.Des.Sel., 31, 2018
5IEO
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BU of 5ieo by Molmil
Structure of CDL2.3a, a computationally designed Vitamin-D3 binder
分子名称: 1,2-ETHANEDIOL, 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL, CDL2.3a
著者Stoddard, B.L, Doyle, L.A.
登録日2016-02-25
公開日2017-03-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.851 Å)
主引用文献Unintended specificity of an engineered ligand-binding protein facilitated by unpredicted plasticity of the protein fold.
Protein Eng.Des.Sel., 31, 2018
5IEP
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BU of 5iep by Molmil
Structure of CDL2.3b, a computationally designed Vitamin-D3 binder
分子名称: 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL, CDL2.3b
著者Stoddard, B.L, Doyle, L.A.
登録日2016-02-25
公開日2017-03-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.893 Å)
主引用文献Unintended specificity of an engineered ligand-binding protein facilitated by unpredicted plasticity of the protein fold.
Protein Eng.Des.Sel., 31, 2018
4OYD
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BU of 4oyd by Molmil
Crystal structure of a computationally designed inhibitor of an Epstein-Barr viral Bcl-2 protein
分子名称: 1,2-ETHANEDIOL, Apoptosis regulator BHRF1, Computationally designed Inhibitor
著者Shen, B, Procko, E, Baker, D, Stoddard, B.
登録日2014-02-11
公開日2014-07-09
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A computationally designed inhibitor of an epstein-barr viral bcl-2 protein induces apoptosis in infected cells.
Cell, 157, 2014
5E63
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BU of 5e63 by Molmil
K262A mutant of I-SmaMI
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, 2-METHOXYETHANOL, DNA (5'-D(P*CP*AP*GP*GP*TP*GP*TP*AP*CP*G)-3'), ...
著者Shen, B, Stoddard, B.
登録日2015-10-09
公開日2016-01-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The Structural Basis of Asymmetry in DNA Binding and Cleavage as Exhibited by the I-SmaMI LAGLIDADG Meganuclease.
J.Mol.Biol., 428, 2016
3UVF
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BU of 3uvf by Molmil
Expanding LAGALIDADG endonuclease scaffold diversity by rapidly surveying evolutionary sequence space
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Intron-encoded DNA endonuclease I-HjeMI, ...
著者Jacoby, K, Metzger, M, Shen, B, Jarjour, J, Stoddard, B, Scharenberg, A.
登録日2011-11-29
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Expanding LAGLIDADG endonuclease scaffold diversity by rapidly surveying evolutionary sequence space.
Nucleic Acids Res., 40, 2012
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
7RMX
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BU of 7rmx by Molmil
Structure of De Novo designed tunable symmetric protein pockets
分子名称: Tunable symmetric protein, D_3_212
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 (1.65 Å)
主引用文献De novo design of protein homodimers containing tunable symmetric protein pockets.
Proc.Natl.Acad.Sci.USA, 119, 2022
3O6Y
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BU of 3o6y by Molmil
Robust computational design, optimization, and structural characterization of retroaldol enzymes
分子名称: Retro-Aldolase, SULFATE ION
著者Althoff, E.A, Wang, L, Jiang, L, Moody, J, Bolduc, J, Lassila, J.K, Wang, Z.Z, Smith, M, Hari, S, Herschlag, D, Stoddard, B.L, Baker, D.
登録日2010-07-29
公開日2011-06-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.091 Å)
主引用文献Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design.
J.Mol.Biol., 415, 2012
3NXF
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BU of 3nxf by Molmil
Robust computational design, optimization, and structural characterization of retroaldol enzymes
分子名称: Retro-Aldolase, SULFATE ION
著者Althoff, E.A, Jiang, L, Wang, L, Lassila, J.K, Moody, J, Bolduc, J, Wang, Z.Z, Smith, M, Hari, S, Herschlag, D, Stoddard, B.L, Baker, D.
登録日2010-07-13
公開日2011-06-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design.
J.Mol.Biol., 415, 2012
3UD6
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BU of 3ud6 by Molmil
Structural analyses of covalent enzyme-substrate analogue complexes reveal strengths and limitations of de novo enzyme design
分子名称: 1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE, RETRO-ALDOLASE, SULFATE ION
著者Baker, D, Stoddard, B.L, Althoff, E.A, Wang, L, Jiang, L, Moody, J, Bolduc, J, Lassila, J, Hilvert, D.
登録日2011-10-27
公開日2011-11-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.091 Å)
主引用文献Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design.
J.Mol.Biol., 415, 2012
5CW9
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BU of 5cw9 by Molmil
Crystal structure of De novo designed ferredoxin-ferredoxin domain insertion protein
分子名称: De novo designed ferredoxin-ferredoxin domain insertion protein
著者DiMaio, F, King, I.C, Gleixner, J, Doyle, L, Stoddard, B, Baker, D.
登録日2015-07-28
公開日2015-09-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.108 Å)
主引用文献Precise assembly of complex beta sheet topologies from de novo designed building blocks.
Elife, 4, 2015
5E67
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BU of 5e67 by Molmil
K103A/K262A double mutant of I-SmaMI
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, 2-METHOXYETHANOL, DNA bottom strand, ...
著者Shen, B.W, Stoddard, B.
登録日2015-10-09
公開日2016-01-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Structural Basis of Asymmetry in DNA Binding and Cleavage as Exhibited by the I-SmaMI LAGLIDADG Meganuclease.
J.Mol.Biol., 428, 2016
4IX0
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BU of 4ix0 by Molmil
Computational Design of an Unnatural Amino Acid Metalloprotein with Atomic Level Accuracy
分子名称: NICKEL (II) ION, SULFATE ION, Unnatural Amino Acid Mediated Metalloprotein
著者Mills, J, Bolduc, J, Khare, S, Stoddard, B, Baker, D.
登録日2013-01-24
公開日2013-08-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Computational design of an unnatural amino Acid dependent metalloprotein with atomic level accuracy.
J.Am.Chem.Soc., 135, 2013
4IWW
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BU of 4iww by Molmil
Computational Design of an Unnatural Amino Acid Metalloprotein with Atomic Level Accuracy
分子名称: COBALT (II) ION, SULFATE ION, Unnatural Amino Acid Mediated Metalloprotein
著者Mills, J, Bolduc, J, Khare, S, Stoddard, B, Baker, D.
登録日2013-01-24
公開日2013-08-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Computational design of an unnatural amino Acid dependent metalloprotein with atomic level accuracy.
J.Am.Chem.Soc., 135, 2013

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