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5IEO
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BU of 5ieo by Molmil
Structure of CDL2.3a, a computationally designed Vitamin-D3 binder
分子名称: 1,2-ETHANEDIOL, 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL, CDL2.3a
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 (1.851 Å)
主引用文献Unintended specificity of an engineered ligand-binding protein facilitated by unpredicted plasticity of the protein fold.
Protein Eng.Des.Sel., 31, 2018
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
6EG7
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BU of 6eg7 by Molmil
BbvCI B2 dimer with I3C clusters
分子名称: 1,2-ETHANEDIOL, 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, BbvCI endonuclease subunit 2, ...
著者Shen, B.W, Stoddard, B.L.
登録日2018-08-19
公開日2018-11-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure, subunit organization and behavior of the asymmetric Type IIT restriction endonuclease BbvCI.
Nucleic Acids Res., 47, 2019
4NW5
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BU of 4nw5 by Molmil
Rsk2 N-terminal kinase in complex with 2-amino-7-substituted benzoxazole compound 8
分子名称: 7-(2-fluoro-6-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine, Ribosomal protein S6 kinase alpha-3
著者Appleton, B.A.
登録日2013-12-05
公開日2014-02-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献2-Amino-7-substituted benzoxazole analogs as potent RSK2 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4NW6
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BU of 4nw6 by Molmil
Rsk2 N-terminal kinase in complex with 2-amino-7-substituted benzoxazole compound 27
分子名称: 7-(1H-benzimidazol-7-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine, Ribosomal protein S6 kinase alpha-3
著者Appleton, B.A.
登録日2013-12-05
公開日2014-02-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献2-Amino-7-substituted benzoxazole analogs as potent RSK2 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4KY3
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BU of 4ky3 by Molmil
Three-dimensional Structure of the orthorhombic crystal of computationally designed insertion domain , Northeast Structural Genomics Consortium (NESG) Target OR327
分子名称: designed protein OR327
著者Kuzin, A, Su, M, Seetharaman, J, Maglaqui, M, Xiao, R, Lee, D, Gleixner, J, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2013-05-28
公開日2013-06-19
最終更新日2016-02-17
実験手法X-RAY DIFFRACTION (2.964 Å)
主引用文献Precise assembly of complex beta sheet topologies from de novo designed building blocks.
Elife, 4, 2015
4KYZ
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BU of 4kyz by Molmil
Three-dimensional structure of triclinic form of de novo design insertion domain, Northeast Structural Genomics Consortium (NESG) Target OR327
分子名称: Designed protein OR327
著者Kuzin, A, Su, M, Seetharaman, J, Maglaqui, M, Xiao, R, Lee, D, Gleixner, J, Baker, D, Everett, J.K, Acton, T.B, Kornhaber, G, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2013-05-29
公開日2013-07-24
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.492 Å)
主引用文献Precise assembly of complex beta sheet topologies from de novo designed building blocks.
Elife, 4, 2015
6XR1
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BU of 6xr1 by Molmil
Computationally designed right-handed alpha/alpha single-chain toroid with 9 repeats
分子名称: dTor_9x57R
著者Hallinan, J.P, Doyle, L, Bradley, P, Stoddard, B.L.
登録日2020-07-10
公開日2021-07-14
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design of functionalised circular tandem repeat proteins with longer repeat topologies and enhanced subunit contact surfaces.
Commun Biol, 4, 2021
6XR2
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BU of 6xr2 by Molmil
Computationally designed right-handed alpha/alpha homotrimeric toroid with 3 repeats per subunit
分子名称: dTor_3x57R
著者Hallinan, J.P, Doyle, L, Bradley, P, Stoddard, B.L.
登録日2020-07-10
公開日2021-07-14
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Design of functionalised circular tandem repeat proteins with longer repeat topologies and enhanced subunit contact surfaces.
Commun Biol, 4, 2021
7SQ4
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BU of 7sq4 by Molmil
Designed trefoil knot protein, variant 2
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Designed trefoil knot protein, variant 2, ...
著者Takushi, B, Doyle, L, Stoddard, B.L, Bradley, P.
登録日2021-11-04
公開日2022-06-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.493 Å)
主引用文献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
分子名称: CHLORIDE ION, Designed trefoil knot protein, variant 1, ...
著者Takushi, B, Doyle, L, Stoddard, B.L, Bradley, P.
登録日2021-11-04
公開日2022-06-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.453 Å)
主引用文献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
分子名称: Designed trefoil knot protein, variant 3, SODIUM ION
著者Takushi, B, Doyle, L, Stoddard, B.L, Bradley, P.
登録日2021-11-04
公開日2022-11-09
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.205 Å)
主引用文献De novo design of knotted tandem repeat proteins.
Nat Commun, 14, 2023
6MAF
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BU of 6maf by Molmil
native BbvCI A2B2 tetramer at low resolution
分子名称: BbvCI endonuclease subunit 1, BbvCI endonuclease subunit 2
著者Shen, B.W, Stoddard, B.L.
登録日2018-08-27
公開日2018-11-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.79 Å)
主引用文献Structure, subunit organization and behavior of the asymmetric Type IIT restriction endonuclease BbvCI.
Nucleic Acids Res., 47, 2019
6M9G
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BU of 6m9g by Molmil
BbvCI B2 dimer with Ta6Br14 clusters
分子名称: 1,2-ETHANEDIOL, ACETATE ION, BROMIDE ION, ...
著者Shen, B.W, Stoddard, B.L.
登録日2018-08-23
公開日2018-11-14
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure, subunit organization and behavior of the asymmetric Type IIT restriction endonuclease BbvCI.
Nucleic Acids Res., 47, 2019
6MAG
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BU of 6mag by Molmil
native BbvCI B2 dimer in space group C222
分子名称: ACETATE ION, BbvCI endonuclease subunit 2, GLYCEROL, ...
著者Shen, B.W, Stoddard, B.L.
登録日2018-08-27
公開日2018-11-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structure, subunit organization and behavior of the asymmetric Type IIT restriction endonuclease BbvCI.
Nucleic Acids Res., 47, 2019
6NMR
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BU of 6nmr by Molmil
Blocking Fab 119 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1
分子名称: Fab 119 anti-SIRP-alpha antibody Variable Heavy Chain, Fab 119 anti-SIRP-alpha antibody Variable Light Chain, Tyrosine-protein phosphatase non-receptor type substrate 1
著者Wibowo, A.S, Carter, J.J, Sim, J.
登録日2019-01-11
公開日2019-08-07
最終更新日2019-08-14
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRP alpha.
Mabs, 11, 2019
6NMT
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BU of 6nmt by Molmil
Non-Blocking Fab 3 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1
分子名称: Fab 3 anti-SIRP-alpha antibody Variable Heavy Chain, Fab 3 anti-SIRP-alpha antibody Variable Light Chain, Tyrosine-protein phosphatase non-receptor type substrate 1
著者Wibowo, A.S, Carter, J.J, Sim, J.
登録日2019-01-11
公開日2019-08-07
最終更新日2019-08-14
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRP alpha.
Mabs, 11, 2019
6NMS
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BU of 6nms by Molmil
Blocking Fab 136 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1
分子名称: Fab 136 anti-SIRP-alpha antibody Variable Heavy Chain, Fab 136 anti-SIRP-alpha antibody Variable Light Chain, Tyrosine-protein phosphatase non-receptor type substrate 1
著者Wibowo, A.S, Carter, J.J, Sim, J.
登録日2019-01-11
公開日2019-08-07
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRP alpha.
Mabs, 11, 2019
6NMU
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BU of 6nmu by Molmil
Kick-Off Fab 115 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1
分子名称: Fab 115 anti-SIRP-alpha antibody Variable Heavy Chain, Fab 115 anti-SIRP-alpha antibody Variable Light Chain, Tyrosine-protein phosphatase non-receptor type substrate 1
著者Wibowo, A.S, Carter, J.J, Sim, J.
登録日2019-01-11
公開日2019-08-07
最終更新日2019-08-14
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRP alpha.
Mabs, 11, 2019
6NMV
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BU of 6nmv by Molmil
Non-Blocking Fab 218 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1
分子名称: Fab 218 anti-SIRP-alpha antibody Variable Heavy Chain, Fab 218 anti-SIRP-alpha antibody Variable Light Chain, Tyrosine-protein phosphatase non-receptor type substrate 1
著者Wibowo, A.S, Carter, J.J, Sim, J.
登録日2019-01-11
公開日2019-08-07
最終更新日2019-08-14
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRP alpha.
Mabs, 11, 2019
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