7XCR
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![BU of 7xcr by Molmil](/molmil-images/mine/7xcr) | Cryo-EM structure of Dot1L and H2BK34ub-H3K79Nle nucleosome 1:1 complex | 分子名称: | DNA (146-MER), Histone H2A, Histone H2B type 1-K, ... | 著者 | Ai, H.S, Liu, A.J, Lou, Z.Y, Liu, L. | 登録日 | 2022-03-25 | 公開日 | 2022-04-20 | 最終更新日 | 2022-09-07 | 実験手法 | ELECTRON MICROSCOPY (2.57 Å) | 主引用文献 | H2B Lys34 Ubiquitination Induces Nucleosome Distortion to Stimulate Dot1L Activity. Nat.Chem.Biol., 18, 2022
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7XD0
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![BU of 7xd0 by Molmil](/molmil-images/mine/7xd0) | cryo-EM structure of H2BK34ub nucleosome | 分子名称: | DNA (146-MER), Histone H2A, Histone H2B type 1-K, ... | 著者 | Ai, H.S, Liu, A.J, Lou, Z.Y, Liu, L. | 登録日 | 2022-03-26 | 公開日 | 2022-04-20 | 最終更新日 | 2022-09-07 | 実験手法 | ELECTRON MICROSCOPY (3.48 Å) | 主引用文献 | H2B Lys34 Ubiquitination Induces Nucleosome Distortion to Stimulate Dot1L Activity. Nat.Chem.Biol., 18, 2022
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7UP2
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![BU of 7up2 by Molmil](/molmil-images/mine/7up2) | NDM1-inhibitor co-structure | 分子名称: | (2M)-4'-methyl-2-(2H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION | 著者 | Scapin, G, Fischmann, T.O. | 登録日 | 2022-04-14 | 公開日 | 2023-03-08 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | 主引用文献 | Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates. J.Med.Chem., 65, 2022
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7UP1
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![BU of 7up1 by Molmil](/molmil-images/mine/7up1) | NDM1-inhibitor co-structure | 分子名称: | (2M)-4'-methyl-2-(2H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, CADMIUM ION, Metallo beta-lactamase, ... | 著者 | Scapin, G, Fischmann, T.O. | 登録日 | 2022-04-14 | 公開日 | 2023-03-08 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | 主引用文献 | Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates. J.Med.Chem., 65, 2022
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7UP3
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![BU of 7up3 by Molmil](/molmil-images/mine/7up3) | NDM1-inhibitor co-structure | 分子名称: | (3P)-4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CADMIUM ION, ... | 著者 | Scapin, G, Fischmann, T.O. | 登録日 | 2022-04-14 | 公開日 | 2023-03-08 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates. J.Med.Chem., 65, 2022
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7UOX
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![BU of 7uox by Molmil](/molmil-images/mine/7uox) | NDM1-inhibitor co-structure | 分子名称: | (2M)-4'-(hydroxymethyl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-ol, ACETATE ION, CADMIUM ION, ... | 著者 | Scapin, G, Fischmann, T.O. | 登録日 | 2022-04-14 | 公開日 | 2023-03-08 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (0.99 Å) | 主引用文献 | Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates. J.Med.Chem., 65, 2022
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7UOY
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![BU of 7uoy by Molmil](/molmil-images/mine/7uoy) | NDM1-inhibitor co-structure | 分子名称: | (6P)-4-amino-6-(2H-tetrazol-5-yl)benzene-1,3-disulfonamide, CADMIUM ION, Metallo beta-lactamase, ... | 著者 | Scapin, G, Fischmann, T.O. | 登録日 | 2022-04-14 | 公開日 | 2023-03-08 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates. J.Med.Chem., 65, 2022
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7YWA
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![BU of 7ywa by Molmil](/molmil-images/mine/7ywa) | Structure of DinI in complex with RecA filament | 分子名称: | DNA (5'-D(P*TP*TP*TP*TP*TP*T)-3'), DNA damage-inducible protein I, MAGNESIUM ION, ... | 著者 | Gao, B, Feng, Y. | 登録日 | 2022-08-22 | 公開日 | 2022-12-21 | 最終更新日 | 2023-01-18 | 実験手法 | ELECTRON MICROSCOPY (3.26 Å) | 主引用文献 | Structural basis for regulation of SOS response in bacteria. Proc.Natl.Acad.Sci.USA, 120, 2023
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5XDK
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![BU of 5xdk by Molmil](/molmil-images/mine/5xdk) | Crystal structure of EGFR 696-1022 T790M in complex with CO-1686 | 分子名称: | Epidermal growth factor receptor, N-[3-[[2-[[4-(4-ethanoylpiperazin-1-yl)-2-methoxy-phenyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide | 著者 | Yan, X.E, Yun, C.H. | 登録日 | 2017-03-28 | 公開日 | 2017-12-13 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.346 Å) | 主引用文献 | Structural basis of mutant-selectivity and drug-resistance related to CO-1686. Oncotarget, 8, 2017
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5XDL
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![BU of 5xdl by Molmil](/molmil-images/mine/5xdl) | |
7UGW
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![BU of 7ugw by Molmil](/molmil-images/mine/7ugw) | M. tuberculosis DNA gyrase cleavage core bound to DNA and evybactin | 分子名称: | DNA (46-MER), DNA gyrase subunit A, DNA gyrase subunit B, ... | 著者 | Hauk, G, Imai, Y, Lewis, K, Berger, J.M. | 登録日 | 2022-03-25 | 公開日 | 2022-08-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Evybactin is a DNA gyrase inhibitor that selectively kills Mycobacterium tuberculosis. Nat.Chem.Biol., 18, 2022
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7X1G
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![BU of 7x1g by Molmil](/molmil-images/mine/7x1g) | |
7X1H
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![BU of 7x1h by Molmil](/molmil-images/mine/7x1h) | |
7X1I
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![BU of 7x1i by Molmil](/molmil-images/mine/7x1i) | Cryo-EM structure of human BTR1 in the outward-facing state. | 分子名称: | Isoform 1 of Solute carrier family 4 member 11, [(2R)-1-octadecanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phospho ryl]oxy-propan-2-yl] (8Z)-icosa-5,8,11,14-tetraenoate | 著者 | Yin, Y, Lu, Y, Zuo, P. | 登録日 | 2022-02-24 | 公開日 | 2023-11-01 | 実験手法 | ELECTRON MICROSCOPY (2.94 Å) | 主引用文献 | Structural insights into the conformational changes of BTR1/SLC4A11 in complex with PIP 2. Nat Commun, 14, 2023
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7X1J
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![BU of 7x1j by Molmil](/molmil-images/mine/7x1j) | Cryo-EM structure of human BTR1 in the outward-facing state in the presence of NH4Cl. | 分子名称: | Isoform 1 of Solute carrier family 4 member 11, [(2R)-1-octadecanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phospho ryl]oxy-propan-2-yl] (8Z)-icosa-5,8,11,14-tetraenoate | 著者 | Yin, Y, Lu, Y, Zuo, P. | 登録日 | 2022-02-24 | 公開日 | 2023-11-01 | 実験手法 | ELECTRON MICROSCOPY (2.84 Å) | 主引用文献 | Structural insights into the conformational changes of BTR1/SLC4A11 in complex with PIP 2. Nat Commun, 14, 2023
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4MQ1
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![BU of 4mq1 by Molmil](/molmil-images/mine/4mq1) | The crystal structure of DYRK1a with a bound pyrido[2,3-d]pyrimidine inhibitor | 分子名称: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, N-(5-{[(1R)-3-amino-1-(3-chlorophenyl)propyl]carbamoyl}-2-chlorophenyl)-2-methoxy-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide, PENTAETHYLENE GLYCOL, ... | 著者 | Lukacs, C.M, Janson, C.A, Garvie, C, Liang, L. | 登録日 | 2013-09-15 | 公開日 | 2013-12-11 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Pyrido[2,3-d]pyrimidines: Discovery and preliminary SAR of a novel series of DYRK1B and DYRK1A inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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4MQ2
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![BU of 4mq2 by Molmil](/molmil-images/mine/4mq2) | The crystal structure of DYRK1a with a bound pyrido[2,3-d]pyrimidine inhibitor | 分子名称: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, PENTAETHYLENE GLYCOL, SULFATE ION, ... | 著者 | Lukacs, C.M, Janson, C.A, Garvie, C, Liang, L. | 登録日 | 2013-09-15 | 公開日 | 2013-12-11 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Pyrido[2,3-d]pyrimidines: Discovery and preliminary SAR of a novel series of DYRK1B and DYRK1A inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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