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4R6F
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BU of 4r6f by Molmil
Crystal structure of computational designed protein DLRR_I
Descriptor: Leucine rich repeat DLRR_I
Authors:Shen, B.W, Stoddard, B.L.
Deposit date:2014-08-25
Release date:2015-01-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Control of repeat-protein curvature by computational protein design.
Nat.Struct.Mol.Biol., 22, 2015
3I1C
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BU of 3i1c by Molmil
Crystal Structure of a Novel Engineered Diels-Alderase: DA_20_00_A74I
Descriptor: Diisopropyl-fluorophosphatase, GLYCEROL
Authors:Lambert, A.R, Stoddard, B.L.
Deposit date:2009-06-26
Release date:2009-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Computational design of an enzyme catalyst for a stereoselective bimolecular Diels-Alder reaction.
Science, 329, 2010
4QPZ
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BU of 4qpz by Molmil
Crystal structure of the formolase FLS_v2 in space group P 21
Descriptor: Formolase, MAGNESIUM ION, THIAMINE DIPHOSPHATE
Authors:Shen, B.W, Siegel, J.B, Stoddard, B.L, Baker, D.
Deposit date:2014-06-25
Release date:2015-03-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Computational protein design enables a novel one-carbon assimilation pathway.
Proc.Natl.Acad.Sci.USA, 112, 2015
3HYJ
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BU of 3hyj by Molmil
Crystal structure of the N-terminal LAGLIDADG domain of DUF199/WhiA
Descriptor: CHLORIDE ION, GLYCEROL, Protein DUF199/WhiA, ...
Authors:Kaiser, B.K, Clifton, M.C, Shen, B.W, Stoddard, B.L.
Deposit date:2009-06-22
Release date:2009-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The structure of a bacterial DUF199/WhiA protein: domestication of an invasive endonuclease.
Structure, 17, 2009
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
3LDY
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BU of 3ldy by Molmil
An extraordinary mechanism of DNA perturbation exhibited by the rare-cutting HNH restriction endonuclease PacI
Descriptor: CALCIUM ION, DNA (5'-D(*GP*AP*GP*GP*CP*TP*TP*A)-3'), DNA (5'-D(P*AP*TP*TP*AP*AP*GP*CP*CP*TP*C)-3'), ...
Authors:Shen, B.W, Heiter, D, Chan, S.-H, Xu, S.-Y, Wilson, G, Stoddard, B.L.
Deposit date:2010-01-13
Release date:2010-04-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Unusual target site disruption by the rare-cutting HNH restriction endonuclease PacI.
Structure, 18, 2010
3M7K
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BU of 3m7k by Molmil
Crystal structure of PacI-DNA Enzyme product complex
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*TP*TP*AP*AP*T)-3'), DNA (5'-D(P*TP*AP*AP*GP*CP*CP*TP*C)-3'), ...
Authors:Shen, B.W, Stoddard, B.L.
Deposit date:2010-03-16
Release date:2010-04-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Unusual target site disruption by the rare-cutting HNH restriction endonuclease PacI.
Structure, 18, 2010
3MIP
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BU of 3mip by Molmil
I-MsoI re-designed for altered DNA cleavage specificity (-8GCG)
Descriptor: CALCIUM ION, DNA (5'-D(*CP*GP*GP*AP*GP*CP*GP*GP*TP*CP*TP*CP*AP*CP*GP*AP*CP*CP*GP*CP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*GP*GP*CP*GP*GP*TP*CP*GP*TP*GP*AP*GP*AP*CP*CP*GP*CP*TP*CP*CP*G)-3'), ...
Authors:Taylor, G.K, Stoddard, B.L.
Deposit date:2010-04-11
Release date:2010-05-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Computational reprogramming of homing endonuclease specificity at multiple adjacent base pairs.
Nucleic Acids Res., 38, 2010
3NIC
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BU of 3nic by Molmil
DNA binding and cleavage by the GIY-YIG endonuclease R.Eco29kI inactive variant Y49F
Descriptor: DNA (5'-D(P*CP*GP*GP*GP*AP*GP*GP*CP*CP*CP*GP*CP*GP*GP*GP*CP*CP*GP*CP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*GP*CP*GP*GP*CP*CP*CP*GP*CP*GP*GP*GP*CP*CP*TP*CP*CP*CP*G)-3'), Eco29kIR, ...
Authors:Mak, A.N.S, Lambert, A.R, Stoddard, B.L.
Deposit date:2010-06-15
Release date:2010-09-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Folding, DNA Recognition, and Function of GIY-YIG Endonucleases: Crystal Structures of R.Eco29kI.
Structure, 18, 2010
3MIS
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BU of 3mis by Molmil
I-MsoI re-designed for altered DNA cleavage specificity (-8G)
Descriptor: CALCIUM ION, DNA (5'-D(*CP*GP*GP*AP*GP*CP*TP*GP*TP*CP*TP*CP*AP*CP*GP*AP*CP*GP*TP*CP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*GP*GP*AP*CP*GP*TP*CP*GP*TP*GP*AP*GP*AP*CP*AP*GP*CP*TP*CP*CP*G)-3'), ...
Authors:Taylor, G.K, Stoddard, B.L.
Deposit date:2010-04-12
Release date:2010-05-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Computational reprogramming of homing endonuclease specificity at multiple adjacent base pairs.
Nucleic Acids Res., 38, 2010
3MX1
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BU of 3mx1 by Molmil
The structure of GIY-YIG endonuclease R.Eco29kI
Descriptor: Eco29kIR
Authors:Mak, A.N.S, Lambert, A.R, Stoddard, B.L.
Deposit date:2010-05-06
Release date:2010-09-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Folding, DNA Recognition, and Function of GIY-YIG Endonucleases: Crystal Structures of R.Eco29kI.
Structure, 18, 2010
3MX4
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BU of 3mx4 by Molmil
DNA binding and cleavage by the GIY-YIG endonuclease R.Eco29KI inactive variant E142Q
Descriptor: DNA (5'-D(P*CP*GP*GP*GP*AP*GP*GP*CP*CP*CP*GP*CP*GP*GP*GP*CP*CP*GP*CP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*GP*CP*GP*GP*CP*CP*CP*GP*CP*GP*GP*GP*CP*CP*TP*CP*CP*CP*G)-3'), Eco29kIR
Authors:Mak, A.N.S, Lambert, A.R, Stoddard, B.L.
Deposit date:2010-05-06
Release date:2010-09-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Folding, DNA Recognition, and Function of GIY-YIG Endonucleases: Crystal Structures of R.Eco29kI.
Structure, 18, 2010
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
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
1QYS
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BU of 1qys by Molmil
Crystal structure of Top7: A computationally designed protein with a novel fold
Descriptor: TOP7
Authors:Kuhlman, B, Dantas, G, Ireton, G.C, Varani, G, Stoddard, B.L, Baker, D.
Deposit date:2003-09-11
Release date:2003-11-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design of a Novel Globular Protein Fold with Atomic-Level Accuracy
Science, 302, 2003
1R9Y
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BU of 1r9y by Molmil
Bacterial cytosine deaminase D314A mutant.
Descriptor: Cytosine deaminase, FE (III) ION, GLYCEROL, ...
Authors:Mahan, S.D, Ireton, G.C, Stoddard, B.L, Black, M.E.
Deposit date:2003-10-31
Release date:2004-10-05
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Random mutagenesis and selection of Escherichia coli cytosine deaminase for cancer gene therapy.
Protein Eng.Des.Sel., 17, 2004
1RB7
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BU of 1rb7 by Molmil
Yeast cytosine deaminase crystal form p212121 with sodium acetate.
Descriptor: Cytosine deaminase, ZINC ION
Authors:Ireton, G.C, Stoddard, B.L.
Deposit date:2003-11-02
Release date:2004-03-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Microseed matrix screening to improve crystals of yeast cytosine deaminase.
Acta Crystallogr.,Sect.D, 60, 2004
1R9X
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BU of 1r9x by Molmil
Bacterial cytosine deaminase D314G mutant.
Descriptor: Cytosine deaminase, FE (III) ION, GLYCEROL, ...
Authors:Mahan, S.D, Ireton, G.C, Stoddard, B.L, Black, M.E.
Deposit date:2003-10-31
Release date:2004-10-05
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Random mutagenesis and selection of Escherichia coli cytosine deaminase for cancer gene therapy.
Protein Eng.Des.Sel., 17, 2004

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