7JTO
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![BU of 7jto by Molmil](/molmil-images/mine/7jto) | Crystal structure of Protac MS33 in complex with the WD repeat-containing protein 5 and pVHL:ElonginC:ElonginB | 分子名称: | 1,2-ETHANEDIOL, 3-methyl-N-(11-{[2-(4-{[4'-(4-methylpiperazin-1-yl)-3'-{[6-oxo-4-(trifluoromethyl)-5,6-dihydropyridine-3-carbonyl]amino}[1,1'-biphenyl]-3-yl]methyl}piperazin-1-yl)ethyl]amino}-11-oxoundecanoyl)-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide, Elongin-B, ... | 著者 | Kottur, J, Jain, R, Aggarwal, A.K. | 登録日 | 2020-08-18 | 公開日 | 2021-10-06 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | A selective WDR5 degrader inhibits acute myeloid leukemia in patient-derived mouse models. Sci Transl Med, 13, 2021
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6C59
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![BU of 6c59 by Molmil](/molmil-images/mine/6c59) | |
6C8C
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![BU of 6c8c by Molmil](/molmil-images/mine/6c8c) | Chimeric Pol kappa RIR Rev1 C-terminal domain in complex with JHRE06 | 分子名称: | 8-chloro-2-[(2,4-dichlorophenyl)amino]-3-(3-methylbutanoyl)-5-nitroquinolin-4(1H)-one, Chimeric protein of the Pol Kappa RIR helix and the Rev1 C-terminal domain | 著者 | Najeeb, J, Zhou, P. | 登録日 | 2018-01-24 | 公開日 | 2019-06-12 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | A Small Molecule Targeting Mutagenic Translesion Synthesis Improves Chemotherapy. Cell, 178, 2019
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7KPY
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![BU of 7kpy by Molmil](/molmil-images/mine/7kpy) | Crystal structure of CBP bromodomain liganded with UMB298 (compound 23) | 分子名称: | 1,2-ETHANEDIOL, 2-[2-(3-chloranyl-4-methoxy-phenyl)ethyl]-~{N}-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine, Histone acetyltransferase | 著者 | Schonbrunn, E, Bikowitz, M. | 登録日 | 2020-11-12 | 公開日 | 2021-05-19 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Development of Dimethylisoxazole-Attached Imidazo[1,2- a ]pyridines as Potent and Selective CBP/P300 Inhibitors. J.Med.Chem., 64, 2021
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7KLK
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![BU of 7klk by Molmil](/molmil-images/mine/7klk) | Human Arginase1 Complexed with Inhibitor Compound 3a | 分子名称: | 1,2-ETHANEDIOL, 3-[(2~{S},3~{R})-2-carboxypiperidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, ... | 著者 | Palte, R.L. | 登録日 | 2020-10-30 | 公開日 | 2021-09-29 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | 主引用文献 | Structure-Based Discovery of Proline-Derived Arginase Inhibitors with Improved Oral Bioavailability for Immuno-Oncology. Acs Med.Chem.Lett., 12, 2021
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7KLM
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![BU of 7klm by Molmil](/molmil-images/mine/7klm) | Human Arginase1 Complexed with Inhibitor Compound 24a | 分子名称: | 3-[(2~{S},3~{R},4~{R})-4-[[(2~{S})-2-azanyl-3-methyl-butanoyl]amino]-2-carboxy-pyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boron, Arginase-1, MANGANESE (II) ION | 著者 | Palte, R.L. | 登録日 | 2020-10-30 | 公開日 | 2021-09-29 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Structure-Based Discovery of Proline-Derived Arginase Inhibitors with Improved Oral Bioavailability for Immuno-Oncology. Acs Med.Chem.Lett., 12, 2021
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7KLL
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![BU of 7kll by Molmil](/molmil-images/mine/7kll) | Human Arginase1 Complexed with Inhibitor Compound 18 | 分子名称: | 3-[(2~{S},3~{R},4~{R})-4-azanyl-2-carboxy-pyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boron, Arginase-1, MANGANESE (II) ION | 著者 | Palte, R.L. | 登録日 | 2020-10-30 | 公開日 | 2021-09-29 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Structure-Based Discovery of Proline-Derived Arginase Inhibitors with Improved Oral Bioavailability for Immuno-Oncology. Acs Med.Chem.Lett., 12, 2021
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8SEH
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![BU of 8seh by Molmil](/molmil-images/mine/8seh) | |
8SEK
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![BU of 8sek by Molmil](/molmil-images/mine/8sek) | |
8SEL
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![BU of 8sel by Molmil](/molmil-images/mine/8sel) | |
8SEI
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![BU of 8sei by Molmil](/molmil-images/mine/8sei) | SF Tau from Down Syndrome | 分子名称: | Microtubule-associated protein tau | 著者 | Hoq, M.R, Bharath, S.R, Jiang, W, Vago, F.S, Bharath, S.R. | 登録日 | 2023-04-10 | 公開日 | 2024-04-03 | 最終更新日 | 2024-04-10 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Cryo-EM structures of amyloid-beta and tau filaments in Down syndrome. Nat.Struct.Mol.Biol., 2024
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8SEJ
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![BU of 8sej by Molmil](/molmil-images/mine/8sej) | |
8F9K
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![BU of 8f9k by Molmil](/molmil-images/mine/8f9k) | |
8H03
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![BU of 8h03 by Molmil](/molmil-images/mine/8h03) | |
8GZ9
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![BU of 8gz9 by Molmil](/molmil-images/mine/8gz9) | |
8GZ8
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![BU of 8gz8 by Molmil](/molmil-images/mine/8gz8) | |
8HN6
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![BU of 8hn6 by Molmil](/molmil-images/mine/8hn6) | Crystal structure of monoclonal antibody complexed with SARS-CoV-2 RBD | 分子名称: | Heavy chain of monoclonal antibody 3G10, Light chain of monoclonal antibody 3G10, Spike protein S1 | 著者 | Qi, J, Chen, Y. | 登録日 | 2022-12-07 | 公開日 | 2023-05-17 | 最終更新日 | 2023-06-07 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Characterization of RBD-specific cross-neutralizing antibodies responses against SARS-CoV-2 variants from COVID-19 convalescents. Front Immunol, 14, 2023
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8HN7
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![BU of 8hn7 by Molmil](/molmil-images/mine/8hn7) | Crystal structure of monoclonal antibody complexed with SARS-CoV-2 RBD | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of monoclonal antibody 3C11, Light chain of monoclonal antibody 3C11, ... | 著者 | Qi, J, Chen, Y. | 登録日 | 2022-12-07 | 公開日 | 2023-05-17 | 最終更新日 | 2023-06-07 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Characterization of RBD-specific cross-neutralizing antibodies responses against SARS-CoV-2 variants from COVID-19 convalescents. Front Immunol, 14, 2023
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3LE9
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![BU of 3le9 by Molmil](/molmil-images/mine/3le9) | |
3O64
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![BU of 3o64 by Molmil](/molmil-images/mine/3o64) | Crystal structure of catalytic domain of TACE with 2-(2-Aminothiazol-4-yl)pyrrolidine-Based Tartrate Diamides | 分子名称: | (2R,3R)-2,3-dihydroxy-4-{(2R)-2-[2-(methylamino)-5-(methylsulfonyl)-1,3-thiazol-4-yl]pyrrolidin-1-yl}-4-oxo-N-{(1R)-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}butanamide, CALCIUM ION, ISOPROPYL ALCOHOL, ... | 著者 | Orth, P. | 登録日 | 2010-07-28 | 公開日 | 2011-04-20 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | 2-(2-Aminothiazol-4-yl)pyrrolidine-based tartrate diamides as potent, selective and orally bioavailable TACE inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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3NI2
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![BU of 3ni2 by Molmil](/molmil-images/mine/3ni2) | Crystal structures and enzymatic mechanisms of a Populus tomentosa 4-coumarate:CoA ligase | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-coumarate:CoA ligase, 5'-O-{(S)-hydroxy[3-(4-hydroxyphenyl)propoxy]phosphoryl}adenosine | 著者 | Hu, Y, Yin, L, Gai, Y, Wang, X.X, Wang, D.C. | 登録日 | 2010-06-14 | 公開日 | 2010-09-08 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structures of a Populus tomentosa 4-coumarate:CoA ligase shed light on its enzymatic mechanisms Plant Cell, 22, 2010
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7CBZ
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![BU of 7cbz by Molmil](/molmil-images/mine/7cbz) | Crystal structure of T2R-TTL-A31 complex | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[5-[4-[2-[4-(2-cyclopropylethanoyl)piperazin-1-yl]ethoxy]phenyl]pyridin-2-yl]-N-(phenylmethyl)ethanamide, CALCIUM ION, ... | 著者 | Yang, J.H, Yan, W. | 登録日 | 2020-06-15 | 公開日 | 2021-06-23 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | 主引用文献 | Design, Synthesis, and Bioactivity Evaluation of Dual-Target Inhibitors of Tubulin and Src Kinase Guided by Crystal Structure. J.Med.Chem., 64, 2021
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7FGE
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![BU of 7fge by Molmil](/molmil-images/mine/7fge) | |
7FGD
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![BU of 7fgd by Molmil](/molmil-images/mine/7fgd) | A naturally-occurring neuraminidase-inhibitors-resistant NA from asiatic toad influenza B-like virus | 分子名称: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, toad NA (OSE) | 著者 | Chai, Y, Wu, Y, Gao, F. | 登録日 | 2021-07-26 | 公開日 | 2022-08-03 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural and inhibitor sensitivity analysis of influenza B-like viral neuraminidases derived from Asiatic toad and spiny eel. Proc.Natl.Acad.Sci.USA, 119, 2022
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7FGB
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![BU of 7fgb by Molmil](/molmil-images/mine/7fgb) | A naturally-occurring neuraminidase-inhibitors-resistant NA from asiatic toad influenza B-like virus | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, SULFATE ION, ... | 著者 | Chai, Y, Wu, Y, Gao, F. | 登録日 | 2021-07-26 | 公開日 | 2022-08-03 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural and inhibitor sensitivity analysis of influenza B-like viral neuraminidases derived from Asiatic toad and spiny eel. Proc.Natl.Acad.Sci.USA, 119, 2022
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