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8FAR
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BU of 8far by Molmil
Accurate computational design of genetically encoded 3D protein crystals
Descriptor: I432-1-CC
Authors:Bera, A.K, Li, Z, Baker, D.
Deposit date:2022-11-28
Release date:2023-11-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.66 Å)
Cite:Accurate computational design of three-dimensional protein crystals.
Nat Mater, 22, 2023
4U3H
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BU of 4u3h by Molmil
Crystal structure of FN3con
Descriptor: FN3con
Authors:Porebski, B.T, McGowan, S, Buckle, A.M.
Deposit date:2014-07-21
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural and dynamic properties that govern the stability of an engineered fibronectin type III domain.
Protein Eng.Des.Sel., 28, 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
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
7KXS
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BU of 7kxs by Molmil
Computational design of constitutively active cGAS
Descriptor: Cyclic GMP-AMP synthase, ZINC ION
Authors:Dowling, Q, Volkman, H.E, Gray, E.E, Ovchinnikov, S, Cambier, S, Bera, A.K, Bick, M, Kang, A, Stetson, D.B, King, N.P.
Deposit date:2020-12-04
Release date:2021-12-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Computational design of constitutively active cGAS.
Nat.Struct.Mol.Biol., 30, 2023
8SZZ
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BU of 8szz by Molmil
CryoEM Structure of Computationally Designed Nanocage O32-ZL4
Descriptor: O32-ZL4 Component A, O32-ZL4 Component B, SODIUM ION
Authors:Weidle, C, Borst, A.
Deposit date:2023-05-30
Release date:2023-11-01
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Accurate computational design of three-dimensional protein crystals.
Nat Mater, 22, 2023
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
7MN2
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BU of 7mn2 by Molmil
Rules for designing protein fold switches and their implications for the folding code
Descriptor: Sb2
Authors:He, Y, Chen, Y, Ruan, B, Choi, J, Chen, Y, Motabar, D, Solomon, T, Simmerman, R, Kauffman, T, Gallagher, T, Bryan, P, Orban, J.
Deposit date:2021-04-30
Release date:2022-05-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Design and characterization of a protein fold switching network.
Nat Commun, 14, 2023
3VB8
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BU of 3vb8 by Molmil
Crystal Structure of Engineered Protein, Northeast Structural Genomics Consortium Target OR43
Descriptor: Engineered protein, SULFATE ION
Authors:Seetharaman, J, Su, M, Procko, E, Baker, D, Ciccosanti, C, Sahdev, S, Xiao, R, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-12-31
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Computational design of a protein-based enzyme inhibitor.
J.Mol.Biol., 425, 2013
6YB2
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BU of 6yb2 by Molmil
Crystal structure of a parallel hexameric coiled coil CC-Type2-(TaId)2
Descriptor: CC-Type2-(TaId)2, GLYCEROL
Authors:Scott, A.J, Brady, R.L, Woolfson, D.N.
Deposit date:2020-03-15
Release date:2021-04-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Constructing ion channels from water-soluble alpha-helical barrels.
Nat.Chem., 13, 2021
6YB0
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BU of 6yb0 by Molmil
Crystal structure of a parallel hexameric coiled coil CC-Type2-(TaSd)2
Descriptor: CC-Type2-(TaSd)2
Authors:Scott, A.J, Brady, R.L, Woolfson, D.N.
Deposit date:2020-03-15
Release date:2021-04-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Constructing ion channels from water-soluble alpha-helical barrels.
Nat.Chem., 13, 2021
6YAZ
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BU of 6yaz by Molmil
Crystal structure of a parallel hexameric coiled coil CC-Type2-(TaId)5
Descriptor: CC-Type2-(TaId)5
Authors:Scott, A.J, Brady, R.L, Woolfson, D.N.
Deposit date:2020-03-15
Release date:2021-04-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Constructing ion channels from water-soluble alpha-helical barrels.
Nat.Chem., 13, 2021
8CUW
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BU of 8cuw by Molmil
Accurate computational design of genetically encoded 3D protein crystals
Descriptor: F4132-1-3 Chain A, F4132-1-3 Chain B
Authors:Bera, A.K, Li, Z, Baker, D.
Deposit date:2022-05-17
Release date:2023-11-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.55 Å)
Cite:Accurate computational design of three-dimensional protein crystals.
Nat Mater, 22, 2023
8CUU
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BU of 8cuu by Molmil
Accurate computational design of genetically encoded 3D protein crystals
Descriptor: F4132-1-0 chain A, F4132-1-0 chain B
Authors:Bera, A.K, Li, Z, Baker, D.
Deposit date:2022-05-17
Release date:2023-11-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Accurate computational design of three-dimensional protein crystals.
Nat Mater, 22, 2023
8CUV
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BU of 8cuv by Molmil
Accurate computational design of genetically encoded 3D protein crystals
Descriptor: F4132-1 chain A, F4132-1 chain B
Authors:Bera, A.K, Li, Z, Baker, D.
Deposit date:2022-05-17
Release date:2023-11-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Accurate computational design of three-dimensional protein crystals.
Nat Mater, 22, 2023
7LZ3
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BU of 7lz3 by Molmil
Computational design of constitutively active cGAS
Descriptor: Cyclic GMP-AMP synthase, GLYCEROL, ZINC ION
Authors:Dowling, Q, Volkman, H.E, Gray, E.E, Ovchinnikov, S, Cambier, S, Bera, A.K, Bick, M, Kang, A, Stetson, D.B, King, N.P.
Deposit date:2021-03-08
Release date:2022-03-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Computational design of constitutively active cGAS.
Nat.Struct.Mol.Biol., 30, 2023
1NA3
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BU of 1na3 by Molmil
Design of Stable alpha-Helical Arrays from an Idealized TPR Motif
Descriptor: 1-methylethyl 1-thio-beta-D-galactopyranoside, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, ...
Authors:Main, E, Xiong, Y, Cocco, M, D'Andrea, L, Regan, L.
Deposit date:2002-11-26
Release date:2003-06-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Design of Stable alpha-Helical Arrays from an Idealized TPR Motif
Structure, 11, 2003
1NA0
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BU of 1na0 by Molmil
Design of Stable alpha-Helical Arrays from an Idealized TPR Motif
Descriptor: 1-methylethyl 1-thio-beta-D-galactopyranoside, ACETATE ION, CHLORIDE ION, ...
Authors:Main, E, Xiong, Y, Cocco, M, D'Andrea, L, Regan, L.
Deposit date:2002-11-26
Release date:2003-06-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design of Stable alpha-Helical Arrays from an Idealized TPR Motif
Structure, 11, 2003
2BKG
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BU of 2bkg by Molmil
Crystal structure of E3_19 a designed ankyrin repeat protein
Descriptor: SYNTHETIC CONSTRUCT ANKYRIN REPEAT PROTEIN E3_19
Authors:Binz, H.K, Kohl, A, Pluckthun, A, Grutter, M.G.
Deposit date:2005-02-16
Release date:2006-06-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of a Consensus-Designed Ankyrin Repeat Protein: Implications for Stability
Proteins: Struct., Funct., Bioinf., 65, 2006
7EQ9
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BU of 7eq9 by Molmil
Cryo-EM structure of designed protein nanoparticle TIP60 (Truncated Icosahedral Protein composed of 60-mer fusion proteins)
Descriptor: TIP60
Authors:Obata, J, Kawakami, N, Tsutsumi, A, Miyamoto, K, Kikkawa, M, Arai, R.
Deposit date:2021-04-30
Release date:2021-09-15
Last modified:2023-11-29
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Icosahedral 60-meric porous structure of designed supramolecular protein nanoparticle TIP60.
Chem.Commun.(Camb.), 57, 2021
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
1EIB
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BU of 1eib by Molmil
CRYSTAL STRUCTURE OF CHITINASE A MUTANT D313A COMPLEXED WITH OCTA-N-ACETYLCHITOOCTAOSE (NAG)8.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHITINASE A
Authors:Papanikolau, Y, Prag, G, Tavlas, G, Vorgias, C.E, Oppenheim, A.B, Petratos, K.
Deposit date:2000-02-25
Release date:2001-02-25
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High resolution structural analyses of mutant chitinase A complexes with substrates provide new insight into the mechanism of catalysis.
Biochemistry, 40, 2001
1EZ1
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BU of 1ez1 by Molmil
STRUCTURE OF ESCHERICHIA COLI PURT-ENCODED GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE COMPLEXED WITH MG, AMPPNP, AND GAR
Descriptor: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ACETATE ION, GLYCINAMIDE RIBONUCLEOTIDE, ...
Authors:Thoden, J.B, Firestine, S, Nixon, A, Benkovic, S.J, Holden, H.M.
Deposit date:2000-05-09
Release date:2000-08-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Molecular structure of Escherichia coli PurT-encoded glycinamide ribonucleotide transformylase.
Biochemistry, 39, 2000
1EHN
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BU of 1ehn by Molmil
CRYSTAL STRUCTURE OF CHITINASE A MUTANT E315Q COMPLEXED WITH OCTA-N-ACETYLCHITOOCTAOSE (NAG)8.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHITINASE A
Authors:Papanikolau, Y, Prag, G, Tavlas, G, Vorgias, C.E, Oppenheim, A.B, Petratos, K.
Deposit date:2000-02-22
Release date:2001-02-22
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High resolution structural analyses of mutant chitinase A complexes with substrates provide new insight into the mechanism of catalysis.
Biochemistry, 40, 2001
1Y66
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BU of 1y66 by Molmil
Dioxane contributes to the altered conformation and oligomerization state of a designed engrailed homeodomain variant
Descriptor: 1,4-DIETHYLENE DIOXIDE, ACETIC ACID, CADMIUM ION, ...
Authors:Hom, G.K, Lassila, J.K, Thomas, L.M, Mayo, S.L.
Deposit date:2004-12-03
Release date:2005-03-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Dioxane contributes to the altered conformation and oligomerization state of a designed engrailed homeodomain variant.
Protein Sci., 14, 2005

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數據於2024-07-17公開中

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