5ZAT
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8B78
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![BU of 8b78 by Molmil](/molmil-images/mine/8b78) | KRasG12C ligand complex | 分子名称: | 1-[(4~{a}~{R})-8-(2-chloranyl-6-oxidanyl-phenyl)-7-fluoranyl-9-prop-1-ynyl-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Phillips, C, Breed, J. | 登録日 | 2022-09-29 | 公開日 | 2023-07-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | 主引用文献 | Discovery of AZD4747, a Potent and Selective Inhibitor of Mutant GTPase KRAS G12C with Demonstrable CNS Penetration. J.Med.Chem., 66, 2023
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8B6I
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![BU of 8b6i by Molmil](/molmil-images/mine/8b6i) | KRasG12C ligand complex | 分子名称: | 1-[(4~{a}~{S})-7-chloranyl-8-(5-methyl-2~{H}-indazol-4-yl)-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Phillips, C, Breed, J. | 登録日 | 2022-09-27 | 公開日 | 2023-07-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Discovery of AZD4747, a Potent and Selective Inhibitor of Mutant GTPase KRAS G12C with Demonstrable CNS Penetration. J.Med.Chem., 66, 2023
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6WNY
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![BU of 6wny by Molmil](/molmil-images/mine/6wny) | Crystal structure of BACE1 in complex with (Z)-fluoro-olefin containing compound 15 | 分子名称: | 6-[(Z)-2-{3-[(1S,5S,6S)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-1-fluoroethenyl]pyridine-3-carbonitrile, Beta-secretase 1, IODIDE ION | 著者 | Whittington, D.A. | 登録日 | 2020-04-23 | 公開日 | 2020-06-03 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | The development of a structurally distinct series of BACE1 inhibitors via the (Z)-fluoro-olefin amide bioisosteric replacement. Bioorg.Med.Chem.Lett., 30, 2020
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7THK
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5ZAS
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6XOQ
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![BU of 6xoq by Molmil](/molmil-images/mine/6xoq) | DCN1 covalently bound to inhibitor 4 | 分子名称: | (2E)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(morpholin-4-yl)but-2-enamide, Lysozyme, DCN1-like protein 1 chimera | 著者 | Stuckey, J.A. | 登録日 | 2020-07-07 | 公開日 | 2021-06-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity. Nat Commun, 12, 2021
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6XON
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![BU of 6xon by Molmil](/molmil-images/mine/6xon) | DCN1 bound to inhibitor 9 | 分子名称: | (2S)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(dimethylamino)-2-methylbutanamide, Lysozyme DCN1-like protein 1 chimera | 著者 | Stuckey, J.A. | 登録日 | 2020-07-07 | 公開日 | 2021-06-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity. Nat Commun, 12, 2021
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6XOM
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![BU of 6xom by Molmil](/molmil-images/mine/6xom) | DCN1 bound to 8 | 分子名称: | (2R)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-2-methyl-4-(morpholin-4-yl)butanamide, 1,2-ETHANEDIOL, Lysozyme, ... | 著者 | Stuckey, J.A. | 登録日 | 2020-07-07 | 公開日 | 2021-06-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity. Nat Commun, 12, 2021
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6XOO
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![BU of 6xoo by Molmil](/molmil-images/mine/6xoo) | DCN1 bound to DI-1859 | 分子名称: | Lysozyme, DCN1-like protein 1 chimera, N-{(1S)-1-cyclohexyl-2-[(2-methylpropanoyl)amino]ethyl}-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide | 著者 | Stuckey, J.A. | 登録日 | 2020-07-07 | 公開日 | 2021-06-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity. Nat Commun, 12, 2021
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6XOL
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![BU of 6xol by Molmil](/molmil-images/mine/6xol) | DCN1 bound to DI-1548 | 分子名称: | Lysozyme, DCN1-like protein 1 chimera, N-{(1S)-1-cyclohexyl-2-[(2-methylpropanoyl)amino]ethyl}-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide | 著者 | Stuckey, J.A. | 登録日 | 2020-07-07 | 公開日 | 2021-06-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity. Nat Commun, 12, 2021
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6XOP
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![BU of 6xop by Molmil](/molmil-images/mine/6xop) | DCN1 bound to inhibitor 10 | 分子名称: | Lysozyme, DCN1-like protein 1 chimera, N-[(1S)-1-cyclohexyl-2-{[(2S)-3-(1H-imidazol-1-yl)-2-methylpropanoyl]amino}ethyl]-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide | 著者 | Stuckey, J.A. | 登録日 | 2020-07-07 | 公開日 | 2021-06-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity. Nat Commun, 12, 2021
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6L42
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8HC5
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![BU of 8hc5 by Molmil](/molmil-images/mine/8hc5) | SARS-CoV-2 wildtype S1 in complex with YB9-258 Fab and R1-32 Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of R1-32 Fab, Heavy chain of YB9-258 Fab, ... | 著者 | Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X. | 登録日 | 2022-11-01 | 公開日 | 2023-01-25 | 最終更新日 | 2023-05-03 | 実験手法 | ELECTRON MICROSCOPY (3.43 Å) | 主引用文献 | Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants. Nat Commun, 14, 2023
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8HC8
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![BU of 8hc8 by Molmil](/molmil-images/mine/8hc8) | SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with YB13-292 Fab, focused refinement of Fab region | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of YB13-292 Fab, Light chain of YB13-292 Fab, ... | 著者 | Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X. | 登録日 | 2022-11-01 | 公開日 | 2023-01-25 | 最終更新日 | 2023-05-03 | 実験手法 | ELECTRON MICROSCOPY (3.95 Å) | 主引用文献 | Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants. Nat Commun, 14, 2023
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8HC7
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![BU of 8hc7 by Molmil](/molmil-images/mine/8hc7) | SARS-CoV-2 Omicron BA.1 spike trimer (6P) complex with YB9-258 Fab, focused refinement of RBD-dimer region | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain variable region of YB9-258, Light chain variable region of YB9-258, ... | 著者 | Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X. | 登録日 | 2022-11-01 | 公開日 | 2023-01-25 | 最終更新日 | 2023-05-03 | 実験手法 | ELECTRON MICROSCOPY (4.54 Å) | 主引用文献 | Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants. Nat Commun, 14, 2023
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8HCB
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![BU of 8hcb by Molmil](/molmil-images/mine/8hcb) | SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with 3 YB13-292 Fabs (2 RBD up) | 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, Heavy chain of YB13-292 Fab, ... | 著者 | Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X. | 登録日 | 2022-11-01 | 公開日 | 2023-01-25 | 最終更新日 | 2023-05-03 | 実験手法 | ELECTRON MICROSCOPY (4.18 Å) | 主引用文献 | Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants. Nat Commun, 14, 2023
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8HC3
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![BU of 8hc3 by Molmil](/molmil-images/mine/8hc3) | SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with 2 YB9-258 Fabs (2 RBD up) | 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, Heavy chain of YB9-258, ... | 著者 | Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X. | 登録日 | 2022-11-01 | 公開日 | 2023-01-25 | 最終更新日 | 2023-05-03 | 実験手法 | ELECTRON MICROSCOPY (4.35 Å) | 主引用文献 | Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants. Nat Commun, 14, 2023
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8HC4
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![BU of 8hc4 by Molmil](/molmil-images/mine/8hc4) | SARS-CoV-2 wildtype spike trimer (6P) in complex with 3 YB9-258 Fabs and 3 R1-32 Fabs (3 RBD up) | 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, Heavy chain of R1-32 Fab, ... | 著者 | Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X. | 登録日 | 2022-11-01 | 公開日 | 2023-01-25 | 最終更新日 | 2023-05-03 | 実験手法 | ELECTRON MICROSCOPY (3.54 Å) | 主引用文献 | Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants. Nat Commun, 14, 2023
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8HCA
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![BU of 8hca by Molmil](/molmil-images/mine/8hca) | SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with 3 YB13-292 Fabs (1 RBD up) | 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, Heavy chain of YB13-292 Fab, ... | 著者 | Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X. | 登録日 | 2022-11-01 | 公開日 | 2023-01-25 | 最終更新日 | 2023-05-03 | 実験手法 | ELECTRON MICROSCOPY (4.35 Å) | 主引用文献 | Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants. Nat Commun, 14, 2023
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8HC6
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![BU of 8hc6 by Molmil](/molmil-images/mine/8hc6) | SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with YB9-258 Fab, focused refinement of Fab region | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of YB9-258 Fab, Light chain of YB9-258, ... | 著者 | Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X. | 登録日 | 2022-11-01 | 公開日 | 2023-01-25 | 最終更新日 | 2023-05-03 | 実験手法 | ELECTRON MICROSCOPY (4.69 Å) | 主引用文献 | Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants. Nat Commun, 14, 2023
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8HC9
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![BU of 8hc9 by Molmil](/molmil-images/mine/8hc9) | SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with 3 YB13-292 Fabs (3 RBD down) | 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, Heavy chain of YB13-292 Fab, ... | 著者 | Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X. | 登録日 | 2022-11-01 | 公開日 | 2023-01-25 | 最終更新日 | 2023-08-02 | 実験手法 | ELECTRON MICROSCOPY (6.03 Å) | 主引用文献 | Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants. Nat Commun, 14, 2023
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8HC2
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![BU of 8hc2 by Molmil](/molmil-images/mine/8hc2) | SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with 1 YB9-258 Fab (1 RBD up) | 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, Heavy chain of YB9-258 Fab, ... | 著者 | Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X. | 登録日 | 2022-11-01 | 公開日 | 2023-01-25 | 最終更新日 | 2023-08-02 | 実験手法 | ELECTRON MICROSCOPY (6.21 Å) | 主引用文献 | Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants. Nat Commun, 14, 2023
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4DDP
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![BU of 4ddp by Molmil](/molmil-images/mine/4ddp) | |
7Y7J
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![BU of 7y7j by Molmil](/molmil-images/mine/7y7j) | SARS-CoV-2 S trimer in complex with 1F Fab | 分子名称: | 1F VH, 1F VL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhao, S, Liu, F, Yang, X, Zhong, G. | 登録日 | 2022-06-22 | 公開日 | 2023-02-22 | 実験手法 | ELECTRON MICROSCOPY (4.8 Å) | 主引用文献 | A core epitope targeting antibody of SARS-CoV-2. Protein Cell, 14, 2023
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