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7R9G
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BU of 7r9g by Molmil
Catalytically inactive yeast Pseudouridine Synthase, PUS1, bound to RNA
Descriptor: CHLORIDE ION, RNA (5'-R(*AP*AP*AP*UP*CP*GP*GP*GP*AP*UP*UP*CP*CP*GP*GP*AP*UP*A)-3'), SULFATE ION, ...
Authors:Doyle, L.A, Stoddard, B.L.
Deposit date:2021-06-29
Release date:2021-12-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The structural basis of mRNA recognition and binding by yeast pseudouridine synthase PUS1.
Plos One, 18, 2023
7R9F
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BU of 7r9f by Molmil
Wild-type yeast Pseudouridine Synthase, PUS1, bound to 5-Fluorouracil RNA
Descriptor: RNA (5'-R(*UP*AP*AP*UP*CP*GP*GP*GP*AP*UP*UP*CP*CP*GP*GP*AP*UP*A)-3'), SULFATE ION, tRNA pseudouridine synthase 1
Authors:Doyle, L.A, Stoddard, B.L.
Deposit date:2021-06-29
Release date:2021-12-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:The structural basis of mRNA recognition and binding by yeast pseudouridine synthase PUS1.
Plos One, 18, 2023
2QOJ
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BU of 2qoj by Molmil
Coevolution of a homing endonuclease and its host target sequence
Descriptor: I-AniI DNA target seq1, I-AniI DNA target seq2, LAGLIDADG endonuclease, ...
Authors:Scalley-Kim, M, McConnell Smith, A, Stoddard, B.L.
Deposit date:2007-07-20
Release date:2008-11-11
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Coevolution of a homing endonuclease and its host target sequence.
J.Mol.Biol., 372, 2007
2O3K
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BU of 2o3k by Molmil
Yeast Cytosine Deaminase D92E Triple Mutant bound to transition state analogue HPY
Descriptor: 4-HYDROXY-3,4-DIHYDRO-1H-PYRIMIDIN-2-ONE, CALCIUM ION, Cytosine deaminase, ...
Authors:Korkegian, A.M, Stoddard, B.L.
Deposit date:2006-12-01
Release date:2007-10-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of Yeast Cytosine Deaminase D92E Triple Mutant bound to transition state analogue HPY
To be Published
7RCF
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BU of 7rcf by Molmil
Fourth stage reengineered variant of I-OnuI with stability enhancing substitutions
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Ubilla-Rodriguez, N.C, Werther, R.A, Stoddard, B.L.
Deposit date:2021-07-07
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.233 Å)
Cite:Characterization of the stepwise engineering and optimization of a retargeted DNA binding protein and gene-editing meganuclease
To Be Published
7RCG
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BU of 7rcg by Molmil
I-OnuI_e-hPD1-f final stage reengineered variant of I-OnuI
Descriptor: CALCIUM ION, CHLORIDE ION, DNA (26-MER), ...
Authors:Smiley, A.T, Werther, R.A, Stoddard, B.L.
Deposit date:2021-07-07
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.368 Å)
Cite:Characterization of the stepwise engineering and optimization of a retargeted DNA binding protein and gene-editing meganuclease
To Be Published
7RCD
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BU of 7rcd by Molmil
Second stage reengineered variant of I-OnuI targeting human PD1 gene with activity enhancing substitutions
Descriptor: CALCIUM ION, DNA (26-MER), I-OnuI_e-hPD1-c
Authors:Ubilla-Rodriguez, N.C, Werther, R.A, Stoddard, B.L.
Deposit date:2021-07-07
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.448 Å)
Cite:Characterization of the stepwise engineering and optimization of a retargeted DNA binding protein and gene-editing meganuclease
To Be Published
7RCE
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BU of 7rce by Molmil
Third stage reengineered variant of I-OnuI with specificity enhancing substitutions
Descriptor: CALCIUM ION, DNA (26-MER), I-OnuI_e-hPD1-d, ...
Authors:Ubilla-Rodriguez, N.C, Werther, R.A, Stoddard, B.L.
Deposit date:2021-07-07
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Characterization of the stepwise engineering and optimization of a retargeted DNA binding protein and gene-editing meganuclease
To Be Published
7RCC
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BU of 7rcc by Molmil
First stage engineered variant of I-OnuI after initial reassembly
Descriptor: CALCIUM ION, DNA (26-MER), I-OnuI_e-hPD1-b
Authors:Ubilla-Rodriguez, N.C, Werther, R.A, Stoddard, B.L.
Deposit date:2021-07-07
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Characterization of the stepwise engineering and optimization of a retargeted DNA binding protein and gene-editing meganuclease
To Be Published
6OHH
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BU of 6ohh by Molmil
Structure of EF1p2_mFAP2b bound to DFHBI
Descriptor: (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, CALCIUM ION, EF1p2_mFAP2b
Authors:Doyle, L.A, Stoddard, B.L.
Deposit date:2019-04-05
Release date:2020-04-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Incorporation of sensing modalities into de novo designed fluorescence-activating proteins
Nat Commun, 12, 2021
3E0L
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BU of 3e0l by Molmil
Computationally Designed Ammelide Deaminase
Descriptor: Guanine deaminase, ZINC ION
Authors:Murphy, P.M, Bolduc, J.M, Gallaher, J.L, Stoddard, B.L, Baker, D.
Deposit date:2008-07-31
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Alteration of enzyme specificity by computational loop remodeling and design.
Proc.Natl.Acad.Sci.USA, 106, 2009
3EH8
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BU of 3eh8 by Molmil
Crystal structure of Y2 I-AniI variant (F13Y/S111Y)/DNA complex with calcium
Descriptor: 31-MER, CALCIUM ION, Intron-encoded DNA endonuclease I-AniI
Authors:Takeuchi, R, Stoddard, B.L.
Deposit date:2008-09-11
Release date:2009-01-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Optimization of in vivo activity of a bifunctional homing endonuclease and maturase reverses evolutionary degradation.
Nucleic Acids Res., 37, 2009
3E54
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BU of 3e54 by Molmil
Archaeal Intron-encoded Homing Endonuclease I-Vdi141I Complexed With DNA
Descriptor: DNA (5'-D(*DCP*DTP*DGP*DAP*DCP*DTP*DCP*DTP*DCP*DTP*DTP*DAP*DA)-3'), DNA (5'-D(*DTP*DTP*DGP*DGP*DCP*DTP*DAP*DCP*DCP*DTP*DTP*DAP*DA)-3'), DNA (5'-D(P*DGP*DAP*DGP*DAP*DGP*DTP*DCP*DAP*DG)-3'), ...
Authors:Nomura, N, Nomura, Y, Sussman, D, Stoddard, B.L.
Deposit date:2008-08-13
Release date:2008-12-30
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Recognition of a common rDNA target site in archaea and eukarya by analogous LAGLIDADG and His-Cys box homing endonucleases
Nucleic Acids Res., 36, 2008
7SQ4
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BU of 7sq4 by Molmil
Designed trefoil knot protein, variant 2
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Designed trefoil knot protein, variant 2, ...
Authors:Takushi, B, Doyle, L, Stoddard, B.L, Bradley, P.
Deposit date:2021-11-04
Release date:2022-06-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.493 Å)
Cite:De novo design of knotted tandem repeat proteins.
Nat Commun, 14, 2023
7SQ3
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BU of 7sq3 by Molmil
Designed trefoil knot protein, variant 1
Descriptor: CHLORIDE ION, Designed trefoil knot protein, variant 1, ...
Authors:Takushi, B, Doyle, L, Stoddard, B.L, Bradley, P.
Deposit date:2021-11-04
Release date:2022-06-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.453 Å)
Cite:De novo design of knotted tandem repeat proteins.
Nat Commun, 14, 2023
7SQ5
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BU of 7sq5 by Molmil
Designed trefoil knot protein, variant 3
Descriptor: Designed trefoil knot protein, variant 3, SODIUM ION
Authors:Takushi, B, Doyle, L, Stoddard, B.L, Bradley, P.
Deposit date:2021-11-04
Release date:2022-11-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.205 Å)
Cite:De novo design of knotted tandem repeat proteins.
Nat Commun, 14, 2023
4YIT
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BU of 4yit by Molmil
Crystal Structure of LAGLIDADG Meganuclease I-AabMI Bound to Uncleaved DNA
Descriptor: CALCIUM ION, DNA (25-MER), DNA (25MER), ...
Authors:Hallinan, J.P, Stoddard, B.L.
Deposit date:2015-03-02
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Indirect DNA Sequence Recognition and Its Impact on Nuclease Cleavage Activity.
Structure, 24, 2016
4YIS
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BU of 4yis by Molmil
Crystal Structure of LAGLIDADG Meganuclease I-CpaMI Bound to Uncleaved DNA
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DNA (28-MER), ...
Authors:Hallinan, J.P, Kaiser, B.K, Stoddard, B.L.
Deposit date:2015-03-02
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Indirect DNA Sequence Recognition and Its Impact on Nuclease Cleavage Activity.
Structure, 24, 2016
4YHX
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BU of 4yhx by Molmil
Crystal Structure of LAGLIDADG Meganuclease I-GpeMI Bound to Uncleaved DNA
Descriptor: CALCIUM ION, DNA (27-MER), Ribosomal protein 3/homing endonuclease-like fusion protein
Authors:Hallinan, J.P, Kaiser, B.K, Stoddard, B.L.
Deposit date:2015-02-27
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Indirect DNA Sequence Recognition and Its Impact on Nuclease Cleavage Activity.
Structure, 24, 2016
4Z20
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BU of 4z20 by Molmil
Crystal Structure of Meganuclease I-SmaMI Bound to Uncleaveable DNA with a TTGT Central Four
Descriptor: CALCIUM ION, DNA (26-MER), GLYCEROL, ...
Authors:Hallinan, J.P, Stoddard, B.L.
Deposit date:2015-03-27
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Indirect DNA Sequence Recognition and Its Impact on Nuclease Cleavage Activity.
Structure, 24, 2016
4Z1Z
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BU of 4z1z by Molmil
Crystal Structure of Meganuclease I-SmaMI Bound to Uncleaveable DNA with a TTCT Central Four
Descriptor: CALCIUM ION, DNA (28-MER), GLYCEROL, ...
Authors:Hallinan, J.P, Stoddard, B.L.
Deposit date:2015-03-27
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Indirect DNA Sequence Recognition and Its Impact on Nuclease Cleavage Activity.
Structure, 24, 2016
4YXX
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BU of 4yxx by Molmil
Computationally designed left-handed alpha/alpha toroid with 6 repeats
Descriptor: dTor_6x35L
Authors:Doyle, L, Bolduc, J, Stoddard, B.L, Bradley, P.
Deposit date:2015-03-23
Release date:2015-12-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Rational design of alpha-helical tandem repeat proteins with closed architectures.
Nature, 528, 2015
6CZH
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BU of 6czh by Molmil
Structure of a redesigned beta barrel, mFAP0, bound to DFHBI
Descriptor: (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, mFAP0
Authors:Doyle, L.A, Stoddard, B.L.
Deposit date:2018-04-09
Release date:2018-09-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
6CZI
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BU of 6czi by Molmil
Structure of a redesigned beta barrel, mFAP1, bound to DFHBI
Descriptor: (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, mFAP1
Authors:Doyle, L.A, Stoddard, B.L.
Deposit date:2018-04-09
Release date:2018-09-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
6D0T
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BU of 6d0t by Molmil
De novo design of a fluorescence-activating beta barrel - BB1
Descriptor: BB1
Authors: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.
Deposit date:2018-04-10
Release date:2018-09-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018

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