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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.
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Chik, J, Shen, B, Stoddard, B.
Deposit date:2013-07-16
Release date:2014-07-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.68 Å)
Cite: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
Descriptor: 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'), ...
Authors:Chik, J, Shen, B, Stoddard, B.
Deposit date:2013-07-14
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite: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
Descriptor: Cytosine deaminase, FE (III) ION
Authors:Stoddard, B, Zhao, L.
Deposit date:2009-02-09
Release date:2009-09-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: ACETATE ION, D_3_633
Authors:Kennedy, M.A, Stoddard, B.L, Hicks, D.R, Bera, A.K.
Deposit date:2021-07-22
Release date:2022-05-18
Last modified:2022-08-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:De novo design of protein homodimers containing tunable symmetric protein pockets.
Proc.Natl.Acad.Sci.USA, 119, 2022
5IEN
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BU of 5ien by Molmil
Structure of CDL2.2, a computationally designed Vitamin-D3 binder
Descriptor: 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL, CDL2.2, GLYCEROL
Authors:Stoddard, B.L, Doyle, L.A.
Deposit date:2016-02-25
Release date:2017-03-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.089 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL, CDL2.3a
Authors:Stoddard, B.L, Doyle, L.A.
Deposit date:2016-02-25
Release date:2017-03-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.851 Å)
Cite: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
Descriptor: 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL, CDL2.3b
Authors:Stoddard, B.L, Doyle, L.A.
Deposit date:2016-02-25
Release date:2017-03-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.893 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Apoptosis regulator BHRF1, Computationally designed Inhibitor
Authors:Shen, B, Procko, E, Baker, D, Stoddard, B.
Deposit date:2014-02-11
Release date:2014-07-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A computationally designed inhibitor of an epstein-barr viral bcl-2 protein induces apoptosis in infected cells.
Cell, 157, 2014
7T8K
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BU of 7t8k by Molmil
BrxR from Acinetobacter BREX type I phage restriction system bound to DNA
Descriptor: 1,2-ETHANEDIOL, BrxR, CHLORIDE ION, ...
Authors:Doyle, L, Kaiser, B, Stoddard, B.
Deposit date:2021-12-16
Release date:2022-05-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
7T8L
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BU of 7t8l by Molmil
BrxR from Acinetobacter BREX type I phage restriction system
Descriptor: 1,2-ETHANEDIOL, BrxR, CHLORIDE ION
Authors:Doyle, L, Kaiser, B, Stoddard, B.
Deposit date:2021-12-16
Release date:2022-05-18
Last modified:2022-06-01
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
5E63
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BU of 5e63 by Molmil
K262A mutant of I-SmaMI
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 2-METHOXYETHANOL, DNA (5'-D(P*CP*AP*GP*GP*TP*GP*TP*AP*CP*G)-3'), ...
Authors:Shen, B, Stoddard, B.
Deposit date:2015-10-09
Release date:2016-01-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Intron-encoded DNA endonuclease I-HjeMI, ...
Authors:Jacoby, K, Metzger, M, Shen, B, Jarjour, J, Stoddard, B, Scharenberg, A.
Deposit date:2011-11-29
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Expanding LAGLIDADG endonuclease scaffold diversity by rapidly surveying evolutionary sequence space.
Nucleic Acids Res., 40, 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
Descriptor: 1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE, RETRO-ALDOLASE, SULFATE ION
Authors:Baker, D, Stoddard, B.L, Althoff, E.A, Wang, L, Jiang, L, Moody, J, Bolduc, J, Lassila, J, Hilvert, D.
Deposit date:2011-10-27
Release date:2011-11-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.091 Å)
Cite:Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design.
J.Mol.Biol., 415, 2012
3O6Y
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BU of 3o6y by Molmil
Robust computational design, optimization, and structural characterization of retroaldol enzymes
Descriptor: Retro-Aldolase, SULFATE ION
Authors: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.
Deposit date:2010-07-29
Release date:2011-06-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.091 Å)
Cite: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
Descriptor: Retro-Aldolase, SULFATE ION
Authors: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.
Deposit date:2010-07-13
Release date:2011-06-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design.
J.Mol.Biol., 415, 2012
7RMY
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BU of 7rmy by Molmil
De Novo designed tunable protein pockets, D_3-337
Descriptor: De Novo designed tunable homodimer, D_3-337
Authors:Bera, A.K, Hicks, D.R, Kang, A, Sankaran, B, Baker, D.
Deposit date:2021-07-28
Release date:2022-08-03
Last modified:2022-08-10
Method:X-RAY DIFFRACTION (3.17 Å)
Cite: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
Descriptor: Tunable symmetric protein, D_3_212
Authors:Bera, A.K, Hicks, D.R, Kang, A, Sankaran, B, Baker, D.
Deposit date:2021-07-28
Release date:2022-08-03
Last modified:2022-08-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:De novo design of protein homodimers containing tunable symmetric protein pockets.
Proc.Natl.Acad.Sci.USA, 119, 2022
5CW9
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BU of 5cw9 by Molmil
Crystal structure of De novo designed ferredoxin-ferredoxin domain insertion protein
Descriptor: De novo designed ferredoxin-ferredoxin domain insertion protein
Authors:DiMaio, F, King, I.C, Gleixner, J, Doyle, L, Stoddard, B, Baker, D.
Deposit date:2015-07-28
Release date:2015-09-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.108 Å)
Cite: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
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 2-METHOXYETHANOL, DNA bottom strand, ...
Authors:Shen, B.W, Stoddard, B.
Deposit date:2015-10-09
Release date:2016-01-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: NICKEL (II) ION, SULFATE ION, Unnatural Amino Acid Mediated Metalloprotein
Authors:Mills, J, Bolduc, J, Khare, S, Stoddard, B, Baker, D.
Deposit date:2013-01-24
Release date:2013-08-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: COBALT (II) ION, SULFATE ION, Unnatural Amino Acid Mediated Metalloprotein
Authors:Mills, J, Bolduc, J, Khare, S, Stoddard, B, Baker, D.
Deposit date:2013-01-24
Release date:2013-08-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Computational design of an unnatural amino Acid dependent metalloprotein with atomic level accuracy.
J.Am.Chem.Soc., 135, 2013

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