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PDB: 37 results

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
8EIL
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BU of 8eil by Molmil
C-Terminal Domain of BrxL from Acinetobacter BREX type I phage restriction system
Descriptor: MALONIC ACID, Protease Lon-related BREX system protein BrxL, SUCCINIC ACID
Authors:Doyle, L.A, Stoddard, B.L, Kaiser, B.
Deposit date:2022-09-15
Release date:2023-02-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure, substrate binding and activity of a unique AAA+ protein: the BrxL phage restriction factor.
Nucleic Acids Res., 51, 2023
6CZG
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BU of 6czg by Molmil
Structure of a redesigned beta barrel, b11L5F_LGL
Descriptor: b11L5F_LGL
Authors:Doyle, L.A, Stoddard, B.L.
Deposit date:2018-04-09
Release date:2018-09-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
6CZJ
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BU of 6czj by Molmil
Structure of a redesigned beta barrel, b10
Descriptor: SULFATE ION, b10
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 (2.1 Å)
Cite:De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
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
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
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
4YXY
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BU of 4yxy by Molmil
Computationally designed left-handed alpha/alpha toroid with 9 repeats; two linked rings of 12 repeats each structure
Descriptor: dTor_9x31L
Authors:Doyle, L, Stoddard, B.L, Bradley, P.
Deposit date:2015-03-23
Release date:2015-12-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.203 Å)
Cite:Rational design of alpha-helical tandem repeat proteins with closed architectures.
Nature, 528, 2015
4YXZ
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BU of 4yxz by Molmil
Computationally designed left-handed alpha/alpha toroid with 9 repeats
Descriptor: dTor_9x31L
Authors:Doyle, L, Stoddard, B.L, Bradley, P.
Deposit date:2015-03-23
Release date:2015-12-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.496 Å)
Cite:Rational design of alpha-helical tandem repeat proteins with closed architectures.
Nature, 528, 2015
5BVB
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BU of 5bvb by Molmil
Engineered Digoxigenin binder DIG5.1a
Descriptor: DIG5.1a, DIGOXIGENIN
Authors:Doyle, L.A, Stoddard, B.L.
Deposit date:2015-06-04
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:CSAR Benchmark Exercise 2013: Evaluation of Results from a Combined Computational Protein Design, Docking, and Scoring/Ranking Challenge.
J.Chem.Inf.Model., 56, 2016
8ETQ
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BU of 8etq by Molmil
Designed pentafoil knot protein folded into a trefoil knot
Descriptor: k-cTRP5
Authors:Doyle, L.A, Kibler, R.D, Bradley, P, Stoddard, B.L.
Deposit date:2022-10-17
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:De novo design of knotted tandem repeat proteins.
Nat Commun, 14, 2023
6MGD
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BU of 6mgd by Molmil
Thermosulfurimonas dismutans KpsC, beta Kdo 2,7 transferase
Descriptor: Capsular polysaccharide export system protein KpsC
Authors:Doyle, L, Mallette, E, Kimber, M.S, Whitfield, C.
Deposit date:2018-09-13
Release date:2019-03-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Biosynthesis of a conserved glycolipid anchor for Gram-negative bacterial capsules.
Nat.Chem.Biol., 15, 2019
6MGB
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BU of 6mgb by Molmil
Thermosulfurimonas dismutans KpsC, beta Kdo 2,4 transferase
Descriptor: CHLORIDE ION, CYTIDINE-5'-MONOPHOSPHATE, Capsular polysaccharide export system protein KpsC, ...
Authors:Doyle, L, Mallette, E, Kimber, M.S, Whitfield, C.
Deposit date:2018-09-13
Release date:2019-03-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Biosynthesis of a conserved glycolipid anchor for Gram-negative bacterial capsules.
Nat.Chem.Biol., 15, 2019
5BYO
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BU of 5byo by Molmil
Computationally designed left-handed alpha/alpha toroid with 12 repeats
Descriptor: dTor_12x31L
Authors:Doyle, L, Stoddard, B.L, Bradley, P.
Deposit date:2015-06-10
Release date:2015-12-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Rational design of alpha-helical tandem repeat proteins with closed architectures.
Nature, 528, 2015
6MGC
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BU of 6mgc by Molmil
Escherichia coli KpsC, N-terminal domain
Descriptor: CHLORIDE ION, CYTIDINE-5'-MONOPHOSPHATE, Capsule polysaccharide export protein KpsC, ...
Authors:Doyle, L, Mallette, E, Kimber, M.S.
Deposit date:2018-09-13
Release date:2019-03-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Biosynthesis of a conserved glycolipid anchor for Gram-negative bacterial capsules.
Nat.Chem.Biol., 15, 2019
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:2024-04-03
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
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
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
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
3B5L
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BU of 3b5l by Molmil
Crystal Structure of a Novel Engineered Retroaldolase: RA-61
Descriptor: AMMONIUM ION, Endoxylanase, SULFATE ION
Authors:Stoddard, B.L, Doyle, L.A.
Deposit date:2007-10-26
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:De novo computational design of retro-aldol enzymes.
Science, 319, 2008
4J8T
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BU of 4j8t by Molmil
Engineered Digoxigenin binder DIG10.2
Descriptor: DIGOXIGENIN, Engineered Digoxigenin binder protein DIG10.2
Authors:Stoddard, B.L, Doyle, L.A.
Deposit date:2013-02-14
Release date:2013-06-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Computational design of ligand-binding proteins with high affinity and selectivity.
Nature, 501, 2013
4J9A
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BU of 4j9a by Molmil
Engineered Digoxigenin binder DIG10.3
Descriptor: DIGOXIGENIN, Engineered Digoxigenin binder protein DIG10.3
Authors:Stoddard, B.L, Doyle, L.A.
Deposit date:2013-02-15
Release date:2013-06-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Computational design of ligand-binding proteins with high affinity and selectivity.
Nature, 501, 2013
3HOJ
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BU of 3hoj by Molmil
Crystal Structure of a Novel Engineered Retroaldolase: RA-22
Descriptor: RETROALDOLASE-22
Authors:Stoddard, B.L, Doyle, L.A.
Deposit date:2009-06-02
Release date:2009-08-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:De Novo Computational Design of Retro-Aldol Enzymes
Science, 319, 2008
5IER
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BU of 5ier by Molmil
Structure of a computationally designed 17-OHP binder
Descriptor: (9beta)-17-hydroxypregn-4-ene-3,20-dione, OHP9, SODIUM ION, ...
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 (2.005 Å)
Cite:Sampling and energy evaluation challenges in ligand binding protein design.
Protein Sci., 26, 2017
5IF6
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BU of 5if6 by Molmil
Structure of a computationally designed 17-OHP binder
Descriptor: (9beta)-17-hydroxypregn-4-ene-3,20-dione, OHP9_1c, SODIUM ION
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 (2.501 Å)
Cite:Sampling and energy evaluation challenges in ligand binding protein design.
Protein Sci., 26, 2017

 

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