8HUW
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![BU of 8huw by Molmil](/molmil-images/mine/8huw) | Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with S217622 | 分子名称: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | 著者 | Wang, J, Zhang, J, Li, J. | 登録日 | 2022-12-24 | 公開日 | 2023-06-21 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structural basis for the inhibition of coronaviral main proteases by ensitrelvir. Structure, 31, 2023
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8HUX
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![BU of 8hux by Molmil](/molmil-images/mine/8hux) | Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with S217622 | 分子名称: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | 著者 | Li, W.W, Zhang, J, Li, J. | 登録日 | 2022-12-24 | 公開日 | 2023-06-21 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Structural basis for the inhibition of coronaviral main proteases by ensitrelvir. Structure, 31, 2023
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8HUS
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![BU of 8hus by Molmil](/molmil-images/mine/8hus) | Crystal structure of SARS main protease in complex with S217622 | 分子名称: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | 著者 | Lin, C, Zhang, J, Li, J. | 登録日 | 2022-12-24 | 公開日 | 2023-06-21 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Structural basis for the inhibition of coronaviral main proteases by ensitrelvir. Structure, 31, 2023
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8HUV
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![BU of 8huv by Molmil](/molmil-images/mine/8huv) | Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with S217622 | 分子名称: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | 著者 | Zeng, P, Zhang, J, Li, J. | 登録日 | 2022-12-24 | 公開日 | 2023-06-21 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Structural basis for the inhibition of coronaviral main proteases by ensitrelvir. Structure, 31, 2023
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8HUU
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![BU of 8huu by Molmil](/molmil-images/mine/8huu) | Crystal structure of HCoV-NL63 main protease with S217622 | 分子名称: | 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | 著者 | Zeng, X.Y, Zhang, J, Li, J. | 登録日 | 2022-12-24 | 公開日 | 2023-06-21 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Structural basis for the inhibition of coronaviral main proteases by ensitrelvir. Structure, 31, 2023
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8HUT
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![BU of 8hut by Molmil](/molmil-images/mine/8hut) | Crystal structure of MERS main protease in complex with S217622 | 分子名称: | 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, ORF1a | 著者 | Lin, C, Zhang, J, Li, J. | 登録日 | 2022-12-24 | 公開日 | 2023-06-21 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Structural basis for the inhibition of coronaviral main proteases by ensitrelvir. Structure, 31, 2023
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7DWB
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![BU of 7dwb by Molmil](/molmil-images/mine/7dwb) | Human Pannexin1 model | 分子名称: | Pannexin-1 | 著者 | Zhang, S.S, Yang, M.J. | 登録日 | 2021-01-17 | 公開日 | 2021-05-26 | 実験手法 | ELECTRON MICROSCOPY (3.15 Å) | 主引用文献 | Structure of the full-length human Pannexin1 channel and insights into its role in pyroptosis. Cell Discov, 7, 2021
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7YP1
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![BU of 7yp1 by Molmil](/molmil-images/mine/7yp1) | Cryo-EM structure of EBV gHgL-gp42 in complex with mAb 10E4 (localized refinement) | 分子名称: | 10E4 heavy chain, 10E4 light chain, EBV gH, ... | 著者 | Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N. | 登録日 | 2022-08-02 | 公開日 | 2024-01-31 | 実験手法 | ELECTRON MICROSCOPY (3.54 Å) | 主引用文献 | Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection. Cell Rep Med, 4, 2023
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7YOY
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![BU of 7yoy by Molmil](/molmil-images/mine/7yoy) | Cryo-EM structure of EBV gHgL-gp42 in complex with mAbs 3E8 and 5E3 (localized refinement) | 分子名称: | 3E8 heavy chain, 3E8 light chain, 5E3 heavy chain, ... | 著者 | Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N. | 登録日 | 2022-08-02 | 公開日 | 2024-01-31 | 実験手法 | ELECTRON MICROSCOPY (3.64 Å) | 主引用文献 | Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection. Cell Rep Med, 4, 2023
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7YP2
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![BU of 7yp2 by Molmil](/molmil-images/mine/7yp2) | Cryo-EM structure of EBV gHgL-gp42 in complex with mAb 6H2 (localized refinement) | 分子名称: | 6H2 heavy chain, 6H2 light chain, Envelope glycoprotein H | 著者 | Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N. | 登録日 | 2022-08-02 | 公開日 | 2024-01-31 | 実験手法 | ELECTRON MICROSCOPY (3.52 Å) | 主引用文献 | Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection. Cell Rep Med, 4, 2023
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5AIX
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![BU of 5aix by Molmil](/molmil-images/mine/5aix) | Complex of human hematopoietic prostagandin D2 synthase (hH-PGDS) in complex with an active site inhibitor. | 分子名称: | 6-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide, GLUTATHIONE, HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE, ... | 著者 | Edfeldt, F, Evenas, J, Lepisto, M, Ward, A, Petersen, J, Wissler, L, Rohman, M, Sivars, U, Svensson, K, Perry, M, Feierberg, I, Zhou, X, Hansson, T, Narjes, F. | 登録日 | 2015-02-18 | 公開日 | 2015-06-03 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Identification of Indole Inhibitors of Human Hematopoietic Prostaglandin D2 Synthase (Hh-Pgds). Bioorg.Med.Chem.Lett., 25, 2015
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5AIV
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![BU of 5aiv by Molmil](/molmil-images/mine/5aiv) | Complex of human hematopoietic prostagandin D2 synthase (hH-PGDS) in complex with an active site inhibitor. | 分子名称: | 3-(1H-indol-4-yl)-N-(3-methoxypropyl)-1,2,4-oxadiazole-5-carboxamide, GLUTATHIONE, HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE, ... | 著者 | Edfeldt, F, Evenas, J, Lepisto, M, Ward, A, Petersen, J, Wissler, L, Rohman, M, Sivars, U, Svensson, K, Perry, M, Feierberg, I, Zhou, X, Hansson, T, Narjes, F. | 登録日 | 2015-02-17 | 公開日 | 2015-06-03 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Identification of Indole Inhibitors of Human Hematopoietic Prostaglandin D2 Synthase (Hh-Pgds). Bioorg.Med.Chem.Lett., 25, 2015
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7C4U
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![BU of 7c4u by Molmil](/molmil-images/mine/7c4u) | MicroED structure of orthorhombic Vancomycin at 1.2 A resolution | 分子名称: | CHLORIDE ION, Vancomycin, vancosamine-(1-2)-beta-D-glucopyranose | 著者 | Fan, Q, Zhou, H, Li, X, Wang, J. | 登録日 | 2020-05-18 | 公開日 | 2020-08-12 | 最終更新日 | 2021-03-17 | 実験手法 | ELECTRON CRYSTALLOGRAPHY (1.2 Å) | 主引用文献 | Precise Control Over Kinetics of Molecular Assembly: Production of Particles with Tunable Sizes and Crystalline Forms. Angew.Chem.Int.Ed.Engl., 59, 2020
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7C4V
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![BU of 7c4v by Molmil](/molmil-images/mine/7c4v) | MicroED structure of anorthic Vancomycin at 1.05 A resolution | 分子名称: | CHLORIDE ION, Vancomycin, vancosamine-(1-2)-beta-D-glucopyranose | 著者 | Fan, Q, Zhou, H, Li, X, Wang, J. | 登録日 | 2020-05-18 | 公開日 | 2020-08-12 | 最終更新日 | 2023-11-29 | 実験手法 | ELECTRON CRYSTALLOGRAPHY (1.05 Å) | 主引用文献 | Precise Control Over Kinetics of Molecular Assembly: Production of Particles with Tunable Sizes and Crystalline Forms. Angew.Chem.Int.Ed.Engl., 59, 2020
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4G42
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![BU of 4g42 by Molmil](/molmil-images/mine/4g42) | Structure of the Chicken MHC Class I Molecule BF2*0401 complexed to pepitde P8D | 分子名称: | 8-MERIC PEPTIDE P8D, Beta-2 microglobulin, MHC class I alpha chain 2 | 著者 | Zhang, J, Chen, Y, Qi, J, Gao, F, Liu, J, Kaufman, J, Xia, C, Gao, G.F. | 登録日 | 2012-07-16 | 公開日 | 2012-11-21 | 実験手法 | X-RAY DIFFRACTION (2.294 Å) | 主引用文献 | Narrow Groove and Restricted Anchors of MHC Class I Molecule BF2*0401 Plus Peptide Transporter Restriction Can Explain Disease Susceptibility of B4 Chickens. J.Immunol., 189, 2012
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4E0R
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![BU of 4e0r by Molmil](/molmil-images/mine/4e0r) | Structure of the chicken MHC class I molecule BF2*0401 | 分子名称: | 8-MERIC PEPTIDE (FUS/TLS), Beta-2 microglobulin, MHC class I alpha chain 2 | 著者 | Zhang, J, Chen, Y, Qi, J, Gao, F, Kaufman, J, Xia, C, Gao, G.F. | 登録日 | 2012-03-05 | 公開日 | 2012-11-21 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Narrow Groove and Restricted Anchors of MHC Class I Molecule BF2*0401 Plus Peptide Transporter Restriction Can Explain Disease Susceptibility of B4 Chickens. J.Immunol., 189, 2012
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4G43
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![BU of 4g43 by Molmil](/molmil-images/mine/4g43) | Structure of the chicken MHC class I molecule BF2*0401 complexed to P5E | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 8-MERIC PEPTIDE P5E, Beta-2 microglobulin, ... | 著者 | Zhang, J, Chen, Y, Qi, J, Gao, F, Liu, J, Kaufman, J, Xia, C, Gao, G.F. | 登録日 | 2012-07-16 | 公開日 | 2012-11-21 | 実験手法 | X-RAY DIFFRACTION (1.803 Å) | 主引用文献 | Narrow Groove and Restricted Anchors of MHC Class I Molecule BF2*0401 Plus Peptide Transporter Restriction Can Explain Disease Susceptibility of B4 Chickens. J.Immunol., 189, 2012
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7XRY
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![BU of 7xry by Molmil](/molmil-images/mine/7xry) | Crystal structure of MERS main protease in complex with inhibitor YH-53 | 分子名称: | N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, ORF1a | 著者 | Lin, C, Zhong, F.L, Zhou, X.L, Li, J, Zhang, J. | 登録日 | 2022-05-12 | 公開日 | 2022-12-21 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Structural Basis for the Inhibition of Coronaviral Main Proteases by a Benzothiazole-Based Inhibitor. Viruses, 14, 2022
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7XRS
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![BU of 7xrs by Molmil](/molmil-images/mine/7xrs) | Crystal structure of SARS-Cov-2 main protease in complex with inhibitor YH-53 | 分子名称: | N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, Replicase polyprotein 1a | 著者 | Zhou, X.L, Zhong, F.L, Lin, C, Zeng, P, Zhang, J, Li, J. | 登録日 | 2022-05-11 | 公開日 | 2022-12-21 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Structural Basis for the Inhibition of Coronaviral Main Proteases by a Benzothiazole-Based Inhibitor. Viruses, 14, 2022
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7YGQ
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![BU of 7ygq by Molmil](/molmil-images/mine/7ygq) | Crystal structure of SARS main protease in complex with inhibitor YH-53 | 分子名称: | 3C-like proteinase nsp5, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | 著者 | Lin, C, Zhong, F.L, Zhou, X.L, Zeng, P, Zhang, J, Li, J. | 登録日 | 2022-07-12 | 公開日 | 2022-12-21 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Structural Basis for the Inhibition of Coronaviral Main Proteases by a Benzothiazole-Based Inhibitor. Viruses, 14, 2022
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7E1V
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![BU of 7e1v by Molmil](/molmil-images/mine/7e1v) | Cryo-EM structure of apo hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV | 分子名称: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, CARDIOLIPIN, ... | 著者 | Zhou, S, Wang, W, Gao, Y, Gong, H, Rao, Z. | 登録日 | 2021-02-03 | 公開日 | 2021-10-13 | 最終更新日 | 2022-07-27 | 実験手法 | ELECTRON MICROSCOPY (2.68 Å) | 主引用文献 | Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates. Elife, 10, 2021
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7E1X
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![BU of 7e1x by Molmil](/molmil-images/mine/7e1x) | Cryo-EM structure of hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV in presence of TB47 | 分子名称: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, 5-methoxy-2-methyl-~{N}-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide, ... | 著者 | Zhou, S, Wang, W, Gao, Y, Gong, H, Rao, Z. | 登録日 | 2021-02-03 | 公開日 | 2021-10-27 | 最終更新日 | 2022-07-27 | 実験手法 | ELECTRON MICROSCOPY (2.93 Å) | 主引用文献 | Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates. Elife, 10, 2021
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7E1W
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![BU of 7e1w by Molmil](/molmil-images/mine/7e1w) | Cryo-EM structure of hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV in the presence of Q203 | 分子名称: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, 6-chloranyl-2-ethyl-N-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide, ... | 著者 | Zhou, S, Wang, W, Gao, Y, Gong, H, Rao, Z. | 登録日 | 2021-02-03 | 公開日 | 2021-10-27 | 最終更新日 | 2022-07-27 | 実験手法 | ELECTRON MICROSCOPY (2.67 Å) | 主引用文献 | Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates. Elife, 10, 2021
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4N1Z
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![BU of 4n1z by Molmil](/molmil-images/mine/4n1z) | Crystal Structure of Human Farnesyl Diphosphate Synthase in Complex with BPH-1222 | 分子名称: | Farnesyl pyrophosphate synthase, MAGNESIUM ION, PHOSPHATE ION, ... | 著者 | Liu, Y.L, Xia, Y, Zhang, Y, Verma, I, Oldfield, E. | 登録日 | 2013-10-04 | 公開日 | 2014-12-10 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | A combination therapy for KRAS-driven lung adenocarcinomas using lipophilic bisphosphonates and rapamycin. Sci Transl Med, 6, 2014
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7DUU
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![BU of 7duu by Molmil](/molmil-images/mine/7duu) | Crystal structure of HLA molecule with an KIR receptor | 分子名称: | Beta-2-microglobulin, Killer cell immunoglobulin-like receptor 2DS2, LEU-ASN-PRO-SER-VAL-ALA-ALA-THR-LEU, ... | 著者 | Yang, Y, Yin, L. | 登録日 | 2021-01-11 | 公開日 | 2022-02-02 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | Activating receptor KIR2DS2 bound to HLA-C1 reveals the novel recognition features of activating receptor. Immunology, 165, 2022
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