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4G08
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BU of 4g08 by Molmil
Crystal structure of the periplasmic domain of InvG
Descriptor: Protein InvG
Authors:Bergeron, J.R.C, Strynadka, N.C.J.
Deposit date:2012-07-09
Release date:2013-05-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:A Refined Model of the Prototypical Salmonella SPI-1 T3SS Basal Body Reveals the Molecular Basis for Its Assembly.
Plos Pathog., 9, 2013
7JZN
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BU of 7jzn by Molmil
SARS-CoV-2 spike in complex with LCB3 (2RBDs open)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LCB3, ...
Authors:Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-09-02
Release date:2020-09-23
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:De novo design of picomolar SARS-CoV-2 miniprotein inhibitors.
Science, 370, 2020
4R6G
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BU of 4r6g by Molmil
Crystal structure of computational designed leucine rich repeats DLRR_K in space group P22121
Descriptor: CALCIUM ION, leucine rich repeats DLRR_K
Authors:Shen, B.W, Stoddard, B.L.
Deposit date:2014-08-25
Release date:2015-01-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Control of repeat-protein curvature by computational protein design.
Nat.Struct.Mol.Biol., 22, 2015
7JZL
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BU of 7jzl by Molmil
SARS-CoV-2 spike in complex with LCB1 (2RBDs open)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LCB1, ...
Authors:Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-09-02
Release date:2020-09-23
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:De novo design of picomolar SARS-CoV-2 miniprotein inhibitors.
Science, 370, 2020
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
4EEF
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BU of 4eef by Molmil
Crystal structure of the designed inhibitor protein F-HB80.4 in complex with the 1918 influenza virus hemagglutinin.
Descriptor: F-HB80.4, DESIGNED HEMAGGLUTININ BINDING PROTEIN, Hemagglutinin HA1 chain, ...
Authors:Dreyfus, C, Wilson, I.A.
Deposit date:2012-03-28
Release date:2012-06-27
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.704 Å)
Cite:Optimization of affinity, specificity and function of designed influenza inhibitors using deep sequencing.
Nat.Biotechnol., 30, 2012
7JZM
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BU of 7jzm by Molmil
SARS-CoV-2 spike in complex with LCB3 (local refinement of the RBD and LCB3)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, LCB3, Spike glycoprotein
Authors:Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-09-02
Release date:2020-09-23
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:De novo design of picomolar SARS-CoV-2 miniprotein inhibitors.
Science, 370, 2020
4PEK
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BU of 4pek by Molmil
Crystal structure of a computationally designed retro-aldolase, RA114.3
Descriptor: Retro-aldolase
Authors:Bhabha, G, Zhang, X, Liu, Y, Ekiert, D.C.
Deposit date:2014-04-23
Release date:2015-04-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:De novo-designed enzymes as small-molecule-regulated fluorescence imaging tags and fluorescent reporters.
J.Am.Chem.Soc., 136, 2014
4PEJ
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BU of 4pej by Molmil
Crystal structure of a computationally designed retro-aldolase, RA110.4 (Cys free)
Descriptor: Retro-aldolase
Authors:Bhabha, G, Zhang, X, Liu, Y, Ekiert, D.C.
Deposit date:2014-04-23
Release date:2015-04-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:De novo-designed enzymes as small-molecule-regulated fluorescence imaging tags and fluorescent reporters.
J.Am.Chem.Soc., 136, 2014
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
7JZU
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BU of 7jzu by Molmil
SARS-CoV-2 spike in complex with LCB1 (local refinement of the RBD and LCB1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, LCB1, Spike glycoprotein
Authors:Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-09-02
Release date:2020-09-23
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:De novo design of picomolar SARS-CoV-2 miniprotein inhibitors.
Science, 370, 2020
5BVL
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BU of 5bvl by Molmil
Crystal structure of a de novo designed TIM-barrel
Descriptor: designed TIM barrel sTIM11
Authors:Feldmeier, K, Hocker, B.
Deposit date:2015-06-05
Release date:2015-11-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:De novo design of a four-fold symmetric TIM-barrel protein with atomic-level accuracy.
Nat.Chem.Biol., 12, 2016
4G2S
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BU of 4g2s by Molmil
Crystal structure of a Salmonella type III secretion system protein
Descriptor: CALCIUM ION, Protein prgH
Authors:Worrall, L.J, Vuckovic, M, Strynadka, N.C.J.
Deposit date:2012-07-12
Release date:2013-05-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.858 Å)
Cite:A Refined Model of the Prototypical Salmonella SPI-1 T3SS Basal Body Reveals the Molecular Basis for Its Assembly.
Plos Pathog., 9, 2013
5CWF
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BU of 5cwf by Molmil
Crystal structure of de novo designed helical repeat protein DHR8
Descriptor: CALCIUM ION, Designed helical repeat protein
Authors:Bhabha, G, Ekiert, D.C.
Deposit date:2015-07-28
Release date:2015-12-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
4R58
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BU of 4r58 by Molmil
Crystal structure of computational designed leucine rich repeats DLRR_A in space group P21
Descriptor: Leucine Rich Repeat protein
Authors:Shen, B.W, Stoddard, B.L.
Deposit date:2014-08-20
Release date:2015-01-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Control of repeat-protein curvature by computational protein design.
Nat.Struct.Mol.Biol., 22, 2015
4R5C
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BU of 4r5c by Molmil
Crystal structure of computational designed leucine rich repeats DLRR_E in space group of P212121
Descriptor: 1,2-ETHANEDIOL, Leucine rich repeat protein
Authors:Shen, B.W, Stoddard, B.L.
Deposit date:2014-08-21
Release date:2015-01-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Control of repeat-protein curvature by computational protein design.
Nat.Struct.Mol.Biol., 22, 2015
4QQ8
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BU of 4qq8 by Molmil
Crystal structure of the formolase FLS in space group P 43 21 2
Descriptor: 1,2-ETHANEDIOL, Formolase, MAGNESIUM ION, ...
Authors:Shen, B.W, Siegel, J.B, Stoddard, B.L.
Deposit date:2014-06-26
Release date:2015-03-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Computational protein design enables a novel one-carbon assimilation pathway.
Proc.Natl.Acad.Sci.USA, 112, 2015
8UOS
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BU of 8uos by Molmil
Designed IL-1R antagonist IL-1Rmb80
Descriptor: GLYCEROL, IL-1Rmb80
Authors:Jude, K.M, Garcia, K.C.
Deposit date:2023-10-20
Release date:2024-08-28
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:De novo design of miniprotein antagonists of cytokine storm inducers.
Nat Commun, 15, 2024
8UPB
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BU of 8upb by Molmil
De novo designed IL-6 mimetic
Descriptor: De novo designed IL-6 mimetic
Authors:Borowska, M.T, Jude, K.M, Garcia, K.C.
Deposit date:2023-10-22
Release date:2024-08-28
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:De novo design of miniprotein antagonists of cytokine storm inducers.
Nat Commun, 15, 2024
8UPA
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BU of 8upa by Molmil
Structure of gp130 in complex with a de novo designed IL-6 mimetic
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, De novo designed IL-6 mimetic, Interleukin-6 receptor subunit beta, ...
Authors:Borowska, M.T, Jude, K.M, Garcia, K.C.
Deposit date:2023-10-22
Release date:2024-08-28
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:De novo design of miniprotein antagonists of cytokine storm inducers.
Nat Commun, 15, 2024
7YH8
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BU of 7yh8 by Molmil
Crystal structure of a heterochiral protein complex
Descriptor: D-Pep-1, L-19437
Authors:Liang, M, Li, S, Wang, T, Liu, L, Lu, P.
Deposit date:2022-07-13
Release date:2023-07-19
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Accurate de novo design of heterochiral protein-protein interactions
Cell Res., 2024
4OYC
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BU of 4oyc by Molmil
Crystal structure of the PrgK periplasmic domain 2
Descriptor: Lipoprotein PrgK
Authors:Bergeron, J.R.C, Strynadka, N.C.J.
Deposit date:2014-02-11
Release date:2014-12-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Modular Structure of the Inner-Membrane Ring Component PrgK Facilitates Assembly of the Type III Secretion System Basal Body.
Structure, 23, 2015
4OU1
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BU of 4ou1 by Molmil
Crystal structure of a computationally designed retro-aldolase covalently bound to folding probe 1 [(6-methoxynaphthalen-2-yl)(oxiran-2-yl)methanol]
Descriptor: (1S,2S)-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol, BENZOIC ACID, PHOSPHATE ION, ...
Authors:Bhabha, G, Zhang, X, Ekiert, D.C.
Deposit date:2014-02-14
Release date:2014-03-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Small molecule probes to quantify the functional fraction of a specific protein in a cell with minimal folding equilibrium shifts.
Proc.Natl.Acad.Sci.USA, 111, 2014
4N9G
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BU of 4n9g by Molmil
Crystal Structure of a Computationally Designed RSV-Presenting Epitope Scaffold And Its Elicited Antibody 17HD9
Descriptor: Antibody 17HD9, Heavy Chain, Light Chain, ...
Authors:Carrico, C.T.D, Strong, R.K.
Deposit date:2013-10-21
Release date:2014-02-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Proof of principle for epitope-focused vaccine design.
Nature, 507, 2014
3U43
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BU of 3u43 by Molmil
Crystal structure of the colicin E2 DNase-Im2 complex
Descriptor: CALCIUM ION, Colicin-E2, Colicin-E2 immunity protein, ...
Authors:Wojdyla, J.A, Kleanthous, C.
Deposit date:2011-10-07
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structure of the Ultra-High-Affinity Colicin E2 DNase-Im2 Complex.
J.Mol.Biol., 417, 2012

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數據於2025-07-09公開中

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