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8FAR
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BU of 8far by Molmil
Accurate computational design of genetically encoded 3D protein crystals
分子名称: I432-1-CC
著者Bera, A.K, Li, Z, Baker, D.
登録日2022-11-28
公開日2023-11-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.66 Å)
主引用文献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
分子名称: FN3con
著者Porebski, B.T, McGowan, S, Buckle, A.M.
登録日2014-07-21
公開日2015-02-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献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
分子名称: DIG5.1a, DIGOXIGENIN
著者Doyle, L.A, Stoddard, B.L.
登録日2015-06-04
公開日2015-10-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献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
分子名称: (9beta)-17-hydroxypregn-4-ene-3,20-dione, OHP9_1c, SODIUM ION
著者Stoddard, B.L, Doyle, L.A.
登録日2016-02-25
公開日2017-03-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献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
分子名称: Cyclic GMP-AMP synthase, ZINC ION
著者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.
登録日2020-12-04
公開日2021-12-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献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
分子名称: O32-ZL4 Component A, O32-ZL4 Component B, SODIUM ION
著者Weidle, C, Borst, A.
登録日2023-05-30
公開日2023-11-01
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献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
分子名称: (9beta)-17-hydroxypregn-4-ene-3,20-dione, OHP9, SODIUM ION, ...
著者Stoddard, B.L, Doyle, L.A.
登録日2016-02-25
公開日2017-03-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.005 Å)
主引用文献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
分子名称: Sb2
著者He, Y, Chen, Y, Ruan, B, Choi, J, Chen, Y, Motabar, D, Solomon, T, Simmerman, R, Kauffman, T, Gallagher, T, Bryan, P, Orban, J.
登録日2021-04-30
公開日2022-05-18
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献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
分子名称: Engineered protein, SULFATE ION
著者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)
登録日2011-12-31
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献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
分子名称: CC-Type2-(TaId)2, GLYCEROL
著者Scott, A.J, Brady, R.L, Woolfson, D.N.
登録日2020-03-15
公開日2021-04-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献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
分子名称: CC-Type2-(TaSd)2
著者Scott, A.J, Brady, R.L, Woolfson, D.N.
登録日2020-03-15
公開日2021-04-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献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
分子名称: CC-Type2-(TaId)5
著者Scott, A.J, Brady, R.L, Woolfson, D.N.
登録日2020-03-15
公開日2021-04-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献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
分子名称: F4132-1-3 Chain A, F4132-1-3 Chain B
著者Bera, A.K, Li, Z, Baker, D.
登録日2022-05-17
公開日2023-11-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.55 Å)
主引用文献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
分子名称: F4132-1-0 chain A, F4132-1-0 chain B
著者Bera, A.K, Li, Z, Baker, D.
登録日2022-05-17
公開日2023-11-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献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
分子名称: F4132-1 chain A, F4132-1 chain B
著者Bera, A.K, Li, Z, Baker, D.
登録日2022-05-17
公開日2023-11-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献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
分子名称: Cyclic GMP-AMP synthase, GLYCEROL, ZINC ION
著者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.
登録日2021-03-08
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献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
分子名称: 1-methylethyl 1-thio-beta-D-galactopyranoside, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, ...
著者Main, E, Xiong, Y, Cocco, M, D'Andrea, L, Regan, L.
登録日2002-11-26
公開日2003-06-03
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献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
分子名称: 1-methylethyl 1-thio-beta-D-galactopyranoside, ACETATE ION, CHLORIDE ION, ...
著者Main, E, Xiong, Y, Cocco, M, D'Andrea, L, Regan, L.
登録日2002-11-26
公開日2003-06-03
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
分子名称: SYNTHETIC CONSTRUCT ANKYRIN REPEAT PROTEIN E3_19
著者Binz, H.K, Kohl, A, Pluckthun, A, Grutter, M.G.
登録日2005-02-16
公開日2006-06-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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)
分子名称: TIP60
著者Obata, J, Kawakami, N, Tsutsumi, A, Miyamoto, K, Kikkawa, M, Arai, R.
登録日2021-04-30
公開日2021-09-15
最終更新日2023-11-29
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献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
分子名称: TOP7
著者Kuhlman, B, Dantas, G, Ireton, G.C, Varani, G, Stoddard, B.L, Baker, D.
登録日2003-09-11
公開日2003-11-25
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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.
分子名称: 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
著者Papanikolau, Y, Prag, G, Tavlas, G, Vorgias, C.E, Oppenheim, A.B, Petratos, K.
登録日2000-02-25
公開日2001-02-25
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ACETATE ION, GLYCINAMIDE RIBONUCLEOTIDE, ...
著者Thoden, J.B, Firestine, S, Nixon, A, Benkovic, S.J, Holden, H.M.
登録日2000-05-09
公開日2000-08-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献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.
分子名称: 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
著者Papanikolau, Y, Prag, G, Tavlas, G, Vorgias, C.E, Oppenheim, A.B, Petratos, K.
登録日2000-02-22
公開日2001-02-22
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
分子名称: 1,4-DIETHYLENE DIOXIDE, ACETIC ACID, CADMIUM ION, ...
著者Hom, G.K, Lassila, J.K, Thomas, L.M, Mayo, S.L.
登録日2004-12-03
公開日2005-03-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Dioxane contributes to the altered conformation and oligomerization state of a designed engrailed homeodomain variant.
Protein Sci., 14, 2005

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