7GRN
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![BU of 7grn by Molmil](/molmil-images/mine/7grn) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-10 | 分子名称: | 2-[(3S)-pyrrolidin-3-yl]-5-(trifluoromethyl)-1H-benzimidazole, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GS0
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![BU of 7gs0 by Molmil](/molmil-images/mine/7gs0) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-23 | 分子名称: | (pyridin-2-yl)(quinolin-2-yl)methanone, 3C-like proteinase nsp5, CHLORIDE ION, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GRS
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![BU of 7grs by Molmil](/molmil-images/mine/7grs) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-15 | 分子名称: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, SODIUM ION, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GRF
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![BU of 7grf by Molmil](/molmil-images/mine/7grf) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-2 | 分子名称: | 3C-like proteinase nsp5, 5-bromopyridin-3-amine, CHLORIDE ION, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GRJ
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![BU of 7grj by Molmil](/molmil-images/mine/7grj) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-6 | 分子名称: | (5-chloro-1-benzothiophen-3-yl)methanol, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GRW
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![BU of 7grw by Molmil](/molmil-images/mine/7grw) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-19 | 分子名称: | (2S)-N-(3,5-dichlorophenyl)-2-hydroxypropanamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GRX
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![BU of 7grx by Molmil](/molmil-images/mine/7grx) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-20 | 分子名称: | 1-(2,4-difluorophenyl)pyrrolidine-2,5-dione, 3C-like proteinase nsp5, CHLORIDE ION, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GRU
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![BU of 7gru by Molmil](/molmil-images/mine/7gru) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-17 | 分子名称: | 3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-amine, 3C-like proteinase nsp5, CHLORIDE ION, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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6S19
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![BU of 6s19 by Molmil](/molmil-images/mine/6s19) | Structure of thaumatin determined at SwissFEL using native-SAD at 4.57 keV from all available diffraction patterns | 分子名称: | L(+)-TARTARIC ACID, Thaumatin-1 | 著者 | Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.Ch. | 登録日 | 2019-06-18 | 公開日 | 2020-07-15 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Advances in long-wavelength native phasing at X-ray free-electron lasers. Iucrj, 7, 2020
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6S1D
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![BU of 6s1d by Molmil](/molmil-images/mine/6s1d) | Structure of thaumatin determined at SwissFEL using native-SAD at 4.57 keV from 20,000 diffraction patterns | 分子名称: | L(+)-TARTARIC ACID, Thaumatin-1 | 著者 | Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.C. | 登録日 | 2019-06-18 | 公開日 | 2020-07-15 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Advances in long-wavelength native phasing at X-ray free-electron lasers. Iucrj, 7, 2020
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6S1G
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![BU of 6s1g by Molmil](/molmil-images/mine/6s1g) | Structure of thaumatin determined at SwissFEL using native-SAD at 6.06 keV from 50,000 diffraction patterns. | 分子名称: | L(+)-TARTARIC ACID, Thaumatin-1 | 著者 | Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.C. | 登録日 | 2019-06-18 | 公開日 | 2020-07-15 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Advances in long-wavelength native phasing at X-ray free-electron lasers. Iucrj, 7, 2020
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6S0Q
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![BU of 6s0q by Molmil](/molmil-images/mine/6s0q) | Structure of the A2A adenosine receptor determined at SwissFEL using native-SAD at 4.57 keV from 50,000 diffraction patterns | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | 著者 | Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.C. | 登録日 | 2019-06-18 | 公開日 | 2020-07-15 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Advances in long-wavelength native phasing at X-ray free-electron lasers. Iucrj, 7, 2020
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6S1E
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![BU of 6s1e by Molmil](/molmil-images/mine/6s1e) | Structure of thaumatin determined at SwissFEL using native-SAD at 6.06 keV from all available diffraction patterns | 分子名称: | L(+)-TARTARIC ACID, Thaumatin-1 | 著者 | Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.C. | 登録日 | 2019-06-18 | 公開日 | 2020-07-15 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Advances in long-wavelength native phasing at X-ray free-electron lasers. Iucrj, 7, 2020
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7NT1
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![BU of 7nt1 by Molmil](/molmil-images/mine/7nt1) | Crystal structure of SARS CoV2 main protease in complex with FSP007 | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, [(2R)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxidanylidene-butan-2-yl] prop-2-enoate | 著者 | Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R. | 登録日 | 2021-03-08 | 公開日 | 2021-06-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification. Angew.Chem.Int.Ed.Engl., 60, 2021
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7NT2
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![BU of 7nt2 by Molmil](/molmil-images/mine/7nt2) | Crystal structure of SARS CoV2 main protease in complex with FSP006 | 分子名称: | 3C-like proteinase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R. | 登録日 | 2021-03-08 | 公開日 | 2021-06-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.145 Å) | 主引用文献 | Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification. Angew.Chem.Int.Ed.Engl., 60, 2021
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7NT3
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![BU of 7nt3 by Molmil](/molmil-images/mine/7nt3) | Crystal structure of SARS CoV2 main protease in complex with FSCU015 | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(1~{S})-2-(1,3-benzodioxol-5-ylmethylamino)-1-(3-hydroxyphenyl)-2-oxidanylidene-ethyl]-~{N}-propyl-prop-2-enamide | 著者 | Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R. | 登録日 | 2021-03-08 | 公開日 | 2021-06-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.325 Å) | 主引用文献 | Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification. Angew.Chem.Int.Ed.Engl., 60, 2021
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7NTV
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![BU of 7ntv by Molmil](/molmil-images/mine/7ntv) | Crystal structure of SARS CoV2 main protease in complex with DN_EG_002 (modelled using PanDDA event map) | 分子名称: | 2-acetamido-N-cyclopropyl-5-phenyl-thiophene-3-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | 著者 | Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R. | 登録日 | 2021-03-10 | 公開日 | 2021-06-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.065 Å) | 主引用文献 | Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification. Angew.Chem.Int.Ed.Engl., 60, 2021
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7NUK
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![BU of 7nuk by Molmil](/molmil-images/mine/7nuk) | Crystal structure of SARS CoV2 main protease in complex with EG009 (modelled using PanDDA event map) | 分子名称: | 2-[2-chloranylethanoyl(propyl)amino]-~{N}-(2-methoxyphenyl)ethanamide, 3C-like proteinase, DIMETHYL SULFOXIDE | 著者 | Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R. | 登録日 | 2021-03-12 | 公開日 | 2021-06-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification. Angew.Chem.Int.Ed.Engl., 60, 2021
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7NKW
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![BU of 7nkw by Molmil](/molmil-images/mine/7nkw) | Endothiapepsin structure obtained at 298K after a soaking with fragment JFD03909 from a dataset collected with JUNGFRAU detector | 分子名称: | DIMETHYL SULFOXIDE, Endothiapepsin | 著者 | Engilberge, S, Huang, C.-Y, Leonarski, F, Wojdyla, J.A, Marsh, M, Olieric, V, Wang, M. | 登録日 | 2021-02-19 | 公開日 | 2022-03-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Endothiapepsin structure obtained at 298K after a soaking with fragment JFD03909 from a dataset collected with JUNGFRAU detector To Be Published
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7BKW
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![BU of 7bkw by Molmil](/molmil-images/mine/7bkw) | Endothiapepsin structure obtained at 100K with fragment BTB09871 bound | 分子名称: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | 著者 | Engilberge, S, Huang, C.-Y, Smith, K.M.L, Eris, D, Marsh, M, Wang, M, Wojdyla, J.A. | 登録日 | 2021-01-17 | 公開日 | 2022-03-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Endothiapepsin structure obtained at 100K with fragment BTB09871 bound To Be Published
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7BKY
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![BU of 7bky by Molmil](/molmil-images/mine/7bky) | Endothiapepsin structure obtained at 298K with fragment BTB09871 bound from a dataset collected with JUNGFRAU detector | 分子名称: | DIMETHYL SULFOXIDE, Endothiapepsin, PENTAETHYLENE GLYCOL, ... | 著者 | Engilberge, S, Huang, C.-Y, Leonarski, F, Wojdyla, J.A, Marsh, M, Olieric, V, Wang, M. | 登録日 | 2021-01-17 | 公開日 | 2022-03-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Endothiapepsin structure obtained at 298K with fragment BTB09871 bound from a dataset collected with JUNGFRAU detector To Be Published
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7BKR
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![BU of 7bkr by Molmil](/molmil-images/mine/7bkr) | Endothiapepsin structure obtained at 298K and 40 mM DMSO from a dataset collected with JUNGFRAU detector | 分子名称: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Endothiapepsin, ... | 著者 | Engilberge, S, Huang, C.-Y, Leonarski, F, Wojdyla, J.A, Marsh, M, Olieric, V, Wang, M. | 登録日 | 2021-01-17 | 公開日 | 2022-03-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Endothiapepsin structure obtained at 298K and 40 mM DMSO from a dataset collected with JUNGFRAU detector To Be Published
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7BKV
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![BU of 7bkv by Molmil](/molmil-images/mine/7bkv) | Endothiapepsin structure obtained at 100K with fragment AC39729 bound | 分子名称: | 5-fluoranylpyridin-2-amine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | 著者 | Engilberge, S, Huang, C.-Y, Smith, K.M.L, Eris, D, Marsh, M, Wang, M, Wojdyla, J.A. | 登録日 | 2021-01-17 | 公開日 | 2022-03-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | Endothiapepsin structure obtained at 100K with fragment AC39729 bound To Be Published
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7BKS
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![BU of 7bks by Molmil](/molmil-images/mine/7bks) | 100K endothiapepsin structure obtained in presence of 40 mM DMSO | 分子名称: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Endothiapepsin, ... | 著者 | Engilberge, S, Huang, C.-Y, Smith, K.M.L, Eris, D, Marsh, M, Wang, M, Wojdyla, J.A. | 登録日 | 2021-01-17 | 公開日 | 2022-03-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | 100K endothiapepsin structure obtained in presence of 40 mM DMSO To Be Published
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7BKU
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![BU of 7bku by Molmil](/molmil-images/mine/7bku) | Endothiapepsin structure obtained at 100K with fragment JFD03909 bound | 分子名称: | 1,10-PHENANTHROLINE, DIMETHYL SULFOXIDE, Endothiapepsin | 著者 | Engilberge, S, Huang, C.-Y, Smith, K.M.L, Eris, D, Marsh, M, Wang, M, Wojdyla, J.A. | 登録日 | 2021-01-17 | 公開日 | 2022-03-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Endothiapepsin structure obtained at 100K with fragment JFD03909 bound To Be Published
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