6UFA
 
 | | S4 symmetric peptide design number 1, Tim zinc-bound form | | 分子名称: | S4-1, Tim, Zinc-bound form, ... | | 著者 | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | | 登録日 | 2019-09-24 | | 公開日 | 2020-12-02 | | 実験手法 | X-RAY DIFFRACTION (0.77 Å) | | 主引用文献 | Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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6UG2
 | | C2 symmetric peptide design number 1, Zappy, crystal form 2 | | 分子名称: | C2-1, Zappy, crystal form 2, ... | | 著者 | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | | 登録日 | 2019-09-25 | | 公開日 | 2020-12-02 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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6UF4
 | | S2 symmetric peptide design number 4 crystal form 2, Pugsley | | 分子名称: | S2-4, Pusgley crystal form 2 | | 著者 | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | | 登録日 | 2019-09-23 | | 公開日 | 2020-12-02 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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6UF9
 | | S4 symmetric peptide design number 1, Tim apo form | | 分子名称: | S4-1, Tim apo-form, SULFATE ION | | 著者 | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | | 登録日 | 2019-09-24 | | 公開日 | 2020-12-02 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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6UG6
 | | C3 symmetric peptide design number 1, Sporty, crystal form 2 | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, C3-1, ... | | 著者 | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | | 登録日 | 2019-09-25 | | 公開日 | 2020-12-02 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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6UDW
 | | S2 symmetric peptide design number 3 crystal form 2, Lurch | | 分子名称: | S2-3, Lurch crystal form 2 | | 著者 | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | | 登録日 | 2019-09-19 | | 公開日 | 2020-09-23 | | 最終更新日 | 2020-12-02 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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6UGB
 | | C3 symmetric peptide design number 2, Baby Basil | | 分子名称: | C3 symmetric peptide design number 2, Baby Basil, CHLORIDE ION, ... | | 著者 | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | | 登録日 | 2019-09-26 | | 公開日 | 2020-12-02 | | 実験手法 | X-RAY DIFFRACTION (0.95 Å) | | 主引用文献 | Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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6UF7
 | | S2 symmetric peptide design number 5, Uncle Fester | | 分子名称: | S2-5, Uncle Fester | | 著者 | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | | 登録日 | 2019-09-23 | | 公開日 | 2020-12-02 | | 実験手法 | X-RAY DIFFRACTION (0.8 Å) | | 主引用文献 | Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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6UF8
 | | S2 symmetric peptide design number 6, London Bridge | | 分子名称: | S2-6, London Bridge | | 著者 | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | | 登録日 | 2019-09-23 | | 公開日 | 2020-12-02 | | 実験手法 | X-RAY DIFFRACTION (0.8 Å) | | 主引用文献 | Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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6UFU
 | | C2 symmetric peptide design number 1, Zappy, crystal form 1 | | 分子名称: | C2-1, Zappy, crystal form 1 | | 著者 | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | | 登録日 | 2019-09-25 | | 公開日 | 2020-12-02 | | 実験手法 | X-RAY DIFFRACTION (1.101 Å) | | 主引用文献 | Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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6UG3
 | | C3 symmetric peptide design number 1, Sporty, crystal form 1 | | 分子名称: | C3-1, Sporty, crystal form 1, ... | | 著者 | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | | 登録日 | 2019-09-25 | | 公開日 | 2020-12-02 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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6UGC
 | | C3 symmetric peptide design number 3 | | 分子名称: | C3-3 cyclic peptide design, CADMIUM ION, SODIUM ION | | 著者 | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | | 登録日 | 2019-09-26 | | 公開日 | 2020-12-02 | | 実験手法 | X-RAY DIFFRACTION (0.9 Å) | | 主引用文献 | Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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6UDR
 | | S2 symmetric peptide design number 3 crystal form 1, Lurch | | 分子名称: | S2-3, Lurch crystal form 1 | | 著者 | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | | 登録日 | 2019-09-19 | | 公開日 | 2020-09-23 | | 最終更新日 | 2020-12-02 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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6UD9
 | | S2 symmetric peptide design number 2, Morticia | | 分子名称: | S2-2, Morticia | | 著者 | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | | 登録日 | 2019-09-19 | | 公開日 | 2020-09-23 | | 最終更新日 | 2020-12-02 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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6UCX
 | | S2 symmetric peptide design number 1, Wednesday | | 分子名称: | S2-1, Wednesday, trifluoroacetic acid | | 著者 | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | | 登録日 | 2019-09-18 | | 公開日 | 2020-09-23 | | 最終更新日 | 2021-07-28 | | 実験手法 | X-RAY DIFFRACTION (0.85 Å) | | 主引用文献 | Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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6UDZ
 | | S2 symmetric peptide design number 4 crystal form 1, Pugsley | | 分子名称: | S2-4, Pusgley crystal form 1, trifluoroacetic acid | | 著者 | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | | 登録日 | 2019-09-20 | | 公開日 | 2020-09-23 | | 最終更新日 | 2020-12-02 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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6XBF
 | | Structure of NDM-1 in complex with macrocycle inhibitor NDM1i-1G | | 分子名称: | BlaNDM-4_1_JQ348841, ZINC ION, macrocycle inhibitor NDM1i-1G | | 著者 | Worrall, L.J, Sun, T, Mulligan, V.K, Strynadka, N.C.J. | | 登録日 | 2020-06-05 | | 公開日 | 2021-03-31 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Computationally designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6XBE
 | | Structure of NDM-1 in complex with macrocycle inhibitor NDM1i-1F | | 分子名称: | BlaNDM-4_1_JQ348841, ZINC ION, macrocycle inhibitor NDM1i-1F | | 著者 | Worrall, L.J, Sun, T, Mulligan, V.K, Strynadka, N.C.J. | | 登録日 | 2020-06-05 | | 公開日 | 2021-03-31 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Computationally designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6XCI
 | | Structure of NDM-1 in complex with macrocycle inhibitor NDM1i-3D | | 分子名称: | ACETATE ION, BlaNDM-4_1_JQ348841, CADMIUM ION, ... | | 著者 | Worrall, L.J, Sun, T, Mulligan, V.K, Strynadka, N.C.J. | | 登録日 | 2020-06-08 | | 公開日 | 2021-03-31 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Computationally designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1.
Proc.Natl.Acad.Sci.USA, 118, 2021
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5V2O
 | | De Novo Design of Novel Covalent Constrained Meso-size Peptide Scaffolds with Unique Tertiary Structures | | 分子名称: | 1,3,5-BENZENETRICARBOXYLIC ACID, GLYCEROL, NONAETHYLENE GLYCOL, ... | | 著者 | Dang, B, Wu, H, Mulligan, V.K, Mravic, M, Wu, Y, Lemmin, T, Ford, A, Silva, D, Baker, D, DeGrado, W.F. | | 登録日 | 2017-03-06 | | 公開日 | 2017-10-04 | | 最終更新日 | 2017-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | De novo design of covalently constrained mesosize protein scaffolds with unique tertiary structures.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5V2G
 | | De Novo Design of Novel Covalent Constrained Meso-size Peptide Scaffolds with Unique Tertiary Structures | | 分子名称: | 1,3,5-tris(bromomethyl)benzene, 20-mer Peptide | | 著者 | Dang, B, Wu, H, Mulligan, V.K, Mravic, M, Wu, Y, Lemmin, T, Ford, A, Silva, D, Baker, D, DeGrado, W.F. | | 登録日 | 2017-03-03 | | 公開日 | 2017-09-27 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | De novo design of covalently constrained mesosize protein scaffolds with unique tertiary structures.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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