5RVV
 
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000020269197 | | 分子名称: | 6-methyl-1H-indole-3-carboxylic acid, Non-structural protein 3 | | 著者 | Correy, G.C, Young, I.D, Thompson, M.C, Fraser, J.S. | | 登録日 | 2020-10-02 | | 公開日 | 2020-12-16 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
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3IXF
 | | Crystal Structure of Dehaloperoxidase B at 1.58 and Structural Characterization of the AB Dimer from Amphitrite ornata | | 分子名称: | Dehaloperoxidase B, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | de Serrano, V.S, D'Antonio, J, Thompson, M.K, Franzen, S, Ghiladi, R.A. | | 登録日 | 2009-09-03 | | 公開日 | 2010-05-19 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Structure of dehaloperoxidase B at 1.58 A resolution and structural characterization of the AB dimer from Amphitrite ornata.
Acta Crystallogr.,Sect.D, 66, 2010
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5RG6
 | | Crystal Structure of Kemp Eliminase HG3.7 in unbound state, 277K | | 分子名称: | Kemp Eliminase HG3, SULFATE ION | | 著者 | Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. | | 登録日 | 2020-03-19 | | 公開日 | 2020-07-22 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico.
Nat Commun, 11, 2020
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5RG5
 | | Crystal Structure of Kemp Eliminase HG3.3b in unbound state, 277K | | 分子名称: | ACETATE ION, Kemp Eliminase HG3, SULFATE ION | | 著者 | Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. | | 登録日 | 2020-03-19 | | 公開日 | 2020-07-22 | | 最終更新日 | 2021-05-12 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico.
Nat Commun, 11, 2020
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5RGB
 | | Crystal Structure of Kemp Eliminase HG3.3b with bound transition state analogue, 277K | | 分子名称: | 6-NITROBENZOTRIAZOLE, Kemp Eliminase HG3.3b, SULFATE ION | | 著者 | Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. | | 登録日 | 2020-03-19 | | 公開日 | 2020-07-22 | | 最終更新日 | 2021-05-12 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico.
Nat Commun, 11, 2020
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5RGD
 | | Crystal Structure of Kemp Eliminase HG3.14 with bound transition state analogue, 277K | | 分子名称: | 6-NITROBENZOTRIAZOLE, Kemp Eliminase HG3.14, SULFATE ION | | 著者 | Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. | | 登録日 | 2020-03-19 | | 公開日 | 2020-07-22 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico.
Nat Commun, 11, 2020
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5RGC
 | | Crystal Structure of Kemp Eliminase HG3.7 with bound transition state analogue, 277K | | 分子名称: | 6-NITROBENZOTRIAZOLE, Kemp Eliminase HG3, SULFATE ION | | 著者 | Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. | | 登録日 | 2020-03-19 | | 公開日 | 2020-07-22 | | 最終更新日 | 2021-05-12 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico.
Nat Commun, 11, 2020
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5RGA
 | | Crystal Structure of Kemp Eliminase HG3 with bound transition state analogue, 277K | | 分子名称: | 6-NITROBENZOTRIAZOLE, Kemp Eliminase HG3, SULFATE ION | | 著者 | Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. | | 登録日 | 2020-03-19 | | 公開日 | 2020-07-22 | | 最終更新日 | 2021-05-12 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico.
Nat Commun, 11, 2020
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5RG7
 | | Crystal Structure of Kemp Eliminase HG3.14 in unbound state, 277K | | 分子名称: | Kemp Eliminase HG3, SULFATE ION | | 著者 | Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. | | 登録日 | 2020-03-19 | | 公開日 | 2020-07-22 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico.
Nat Commun, 11, 2020
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5RGE
 | | Crystal Structure of Kemp Eliminase HG3.17 with bound transition state analog, 277K | | 分子名称: | 6-NITROBENZOTRIAZOLE, Kemp Eliminase HG3 | | 著者 | Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. | | 登録日 | 2020-03-19 | | 公開日 | 2020-07-22 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico.
Nat Commun, 11, 2020
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5RG9
 | | Crystal Structure of Kemp Eliminase HG4 in unbound state, 277K | | 分子名称: | ACETATE ION, Kemp Eliminase HG4, SULFATE ION | | 著者 | Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. | | 登録日 | 2020-03-19 | | 公開日 | 2020-07-22 | | 最終更新日 | 2021-05-12 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico.
Nat Commun, 11, 2020
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5RGF
 | | Crystal Structure of Kemp Eliminase HG4 with bound transition state analogue, 277K | | 分子名称: | 6-NITROBENZOTRIAZOLE, Kemp Eliminase HG3, SULFATE ION | | 著者 | Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. | | 登録日 | 2020-03-19 | | 公開日 | 2020-07-22 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico.
Nat Commun, 11, 2020
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5RG4
 | | Crystal Structure of Kemp Eliminase HG3 in unbound state, 277K | | 分子名称: | ACETATE ION, Kemp Eliminase HG3, SULFATE ION | | 著者 | Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. | | 登録日 | 2020-03-19 | | 公開日 | 2020-07-22 | | 最終更新日 | 2021-05-12 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico.
Nat Commun, 11, 2020
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5RG8
 | | Crystal Structure of Kemp Eliminase HG3.17 in unbound state, 277K | | 分子名称: | ACETATE ION, Kemp Eliminase HG3 | | 著者 | Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. | | 登録日 | 2020-03-19 | | 公開日 | 2020-07-22 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico.
Nat Commun, 11, 2020
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7KKJ
 | | Structure of anti-SARS-CoV-2 Spike nanobody mNb6 | | 分子名称: | CHLORIDE ION, SULFATE ION, Synthetic nanobody mNb6 | | 著者 | Schoof, M.S, Faust, B.F, Saunders, R.A, Sangwan, S, Rezelj, V, Hoppe, N, Boone, M, Billesboelle, C.B, Puchades, C, Azumaya, C.M, Kratochvil, H.T, Zimanyi, M, Desphande, I, Liang, J, Dickinson, S, Nguyen, H.C, Chio, C.M, Merz, G.E, Thompson, M.C, Diwanji, D, Schaefer, K, Anand, A.A, Dobzinski, N, Zha, B.S, Simoneau, C.R, Leon, K, White, K.M, Chio, U.S, Gupta, M, Jin, M, Li, F, Liu, Y, Zhang, K, Bulkley, D, Sun, M, Smith, A.M, Rizo, A.N, Moss, F, Brilot, A.F, Pourmal, S, Trenker, R, Pospiech, T, Gupta, S, Barsi-Rhyne, B, Belyy, V, Barile-Hill, A.W, Nock, S, Liu, Y, Krogan, N.J, Ralston, C.Y, Swaney, D.L, Garcia-Sastre, A, Ott, M, Vignuzzi, M, Walter, P, Manglik, A, QCRG Structural Biology Consortium | | 登録日 | 2020-10-27 | | 公開日 | 2020-11-25 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | An ultrapotent synthetic nanobody neutralizes SARS-CoV-2 by stabilizing inactive Spike.
Science, 370, 2020
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7KKK
 | | SARS-CoV-2 Spike in complex with neutralizing nanobody Nb6 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | 著者 | Schoof, M.S, Faust, B.F, Saunders, R.A, Sangwan, S, Rezelj, V, Hoppe, N, Boone, M, Billesboelle, C.B, Puchades, C, Azumaya, C.M, Kratochvil, H.T, Zimanyi, M, Desphande, I, Liang, J, Dickinson, S, Nguyen, H.C, Chio, C.M, Merz, G.E, Thompson, M.C, Diwanji, D, Schaefer, K, Anand, A.A, Dobzinski, N, Zha, B.S, Simoneau, C.R, Leon, K, White, K.M, Chio, U.S, Gupta, M, Jin, M, Li, F, Liu, Y, Zhang, K, Bulkley, D, Sun, M, Smith, A.M, Rizo, A.N, Moss, F, Brilot, A.F, Pourmal, S, Trenker, R, Pospiech, T, Gupta, S, Barsi-Rhyne, B, Belyy, V, Barile-Hill, A.W, Nock, S, Liu, Y, Krogan, N.J, Ralston, C.Y, Swaney, D.L, Garcia-Sastre, A, Ott, M, Vignuzzi, M, Walter, P, Manglik, A, QCRG Structural Biology Consortium | | 登録日 | 2020-10-27 | | 公開日 | 2020-11-11 | | 最終更新日 | 2021-04-21 | | 実験手法 | ELECTRON MICROSCOPY (3.03 Å) | | 主引用文献 | An ultrapotent synthetic nanobody neutralizes SARS-CoV-2 by stabilizing inactive Spike.
Science, 370, 2020
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7KKL
 | | SARS-CoV-2 Spike in complex with neutralizing nanobody mNb6 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | 著者 | Schoof, M.S, Faust, B.F, Saunders, R.A, Sangwan, S, Rezelj, V, Hoppe, N, Boone, M, Billesboelle, C.B, Puchades, C, Azumaya, C.M, Kratochvil, H.T, Zimanyi, M, Desphande, I, Liang, J, Dickinson, S, Nguyen, H.C, Chio, C.M, Merz, G.E, Thompson, M.C, Diwanji, D, Schaefer, K, Anand, A.A, Dobzinski, N, Zha, B.S, Simoneau, C.R, Leon, K, White, K.M, Chio, U.S, Gupta, M, Jin, M, Li, F, Liu, Y, Zhang, K, Bulkley, D, Sun, M, Smith, A.M, Rizo, A.N, Moss, F, Brilot, A.F, Pourmal, S, Trenker, R, Pospiech, T, Gupta, S, Barsi-Rhyne, B, Belyy, V, Barile-Hill, A.W, Nock, S, Liu, Y, Krogan, N.J, Ralston, C.Y, Swaney, D.L, Garcia-Sastre, A, Ott, M, Vignuzzi, M, Walter, P, Manglik, A, QCRG Structural Biology Consortium | | 登録日 | 2020-10-27 | | 公開日 | 2020-11-11 | | 最終更新日 | 2021-04-21 | | 実験手法 | ELECTRON MICROSCOPY (2.85 Å) | | 主引用文献 | An ultrapotent synthetic nanobody neutralizes SARS-CoV-2 by stabilizing inactive Spike.
Science, 370, 2020
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7KQP
 | | Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose (P43 crystal form) | | 分子名称: | Non-structural protein 3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | | 登録日 | 2020-11-17 | | 公開日 | 2020-12-09 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (0.88 Å) | | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
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7KQW
 | | Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, methylated) | | 分子名称: | Non-structural protein 3 | | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | | 登録日 | 2020-11-17 | | 公開日 | 2020-12-09 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (0.93 Å) | | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
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7KQO
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7KR1
 | | Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, 310 K) | | 分子名称: | Non-structural protein 3 | | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | | 登録日 | 2020-11-18 | | 公開日 | 2020-12-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
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7KR0
 | | Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, 100 K) | | 分子名称: | Non-structural protein 3 | | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | | 登録日 | 2020-11-18 | | 公開日 | 2020-12-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (0.77 Å) | | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
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