6VIF
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![BU of 6vif by Molmil](/molmil-images/mine/6vif) | Human LRH-1 ligand-binding domain bound to agonist cpd 15 and fragment of coregulator TIF-2 | 分子名称: | N-[(8beta,11alpha,12alpha)-8-{[methyl(phenyl)amino]methyl}-1,6:7,14-dicycloprosta-1(6),2,4,7(14)-tetraen-11-yl]sulfuric diamide, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 | 著者 | Cato, M.L, Ortlund, E.A. | 登録日 | 2020-01-13 | 公開日 | 2020-06-10 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Development of a new class of liver receptor homolog-1 (LRH-1) agonists by photoredox conjugate addition. Bioorg.Med.Chem.Lett., 30, 2020
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3MK6
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![BU of 3mk6 by Molmil](/molmil-images/mine/3mk6) | Substrate and Inhibitor Binding to Pank | 分子名称: | ACETYL COENZYME *A, GLYCEROL, Pantothenate kinase 3 | 著者 | Yun, M.-K, White, S.W. | 登録日 | 2010-04-14 | 公開日 | 2010-09-15 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Modulation of Pantothenate Kinase 3 Activity by Small Molecules that Interact with the Substrate/Allosteric Regulatory Domain. Chem.Biol., 17, 2010
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6XSP
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6XSQ
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6XT3
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8UKX
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8UKV
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8UKW
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5ZNY
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![BU of 5zny by Molmil](/molmil-images/mine/5zny) | Structure of mDR3_DD-C363G with MBP tag | 分子名称: | Maltose-binding periplasmic protein,Tumor necrosis factor receptor superfamily, member 25, SULFATE ION | 著者 | Yin, X, Jin, T. | 登録日 | 2018-04-11 | 公開日 | 2019-04-17 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | 主引用文献 | Crystal structure and activation mechanism of DR3 death domain. Febs J., 286, 2019
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5ZNZ
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![BU of 5znz by Molmil](/molmil-images/mine/5znz) | Structure of mDR3 DD with MBP tag mutant-I387V | 分子名称: | Maltose-binding periplasmic protein,Tumor necrosis factor receptor superfamily, member 25, SULFATE ION | 著者 | Jin, T, Yin, X. | 登録日 | 2018-04-12 | 公開日 | 2019-04-17 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Crystal structure and activation mechanism of DR3 death domain. Febs J., 286, 2019
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4ZDR
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![BU of 4zdr by Molmil](/molmil-images/mine/4zdr) | Crystal structure of 14-3-3[zeta]-LKB1 fusion protein | 分子名称: | 14-3-3 protein zeta/delta,GGSGGS linker,Serine/threonine-protein kinase STK11, GLYCEROL, PROPANE, ... | 著者 | Ding, S, Shi, Z.B. | 登録日 | 2015-04-18 | 公開日 | 2015-09-09 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.899 Å) | 主引用文献 | Structure of the 14-3-3 zeta-LKB1 fusion protein provides insight into a novel ligand-binding mode of 14-3-3. Acta Crystallogr.,Sect.F, 71, 2015
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6BR4
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![BU of 6br4 by Molmil](/molmil-images/mine/6br4) | Crystal structure of Escherichia coli DsbA in complex with {N}-methyl-1-(3-thiophen-2-ylphenyl)methanamine | 分子名称: | COPPER (II) ION, Thiol:disulfide interchange protein DsbA, ~{N}-methyl-1-(3-thiophen-2-ylphenyl)methanamine | 著者 | Heras, B, Totsika, M, Paxman, J.J, Wang, G, Scanlon, M.J, Martin, J.L. | 登録日 | 2017-11-29 | 公開日 | 2017-12-27 | 最終更新日 | 2020-01-01 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Inhibition of Diverse DsbA Enzymes in Multi-DsbA Encoding Pathogens. Antioxid. Redox Signal., 29, 2018
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7WHB
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![BU of 7whb by Molmil](/molmil-images/mine/7whb) | SARS-CoV-2 spike in complex with the ZB8 neutralizing antibody Fab (3U) | 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, Spike glycoprotein, ... | 著者 | Zeng, J.W, Ge, J.W, Wang, X.Q. | 登録日 | 2021-12-30 | 公開日 | 2023-01-18 | 最終更新日 | 2023-09-06 | 実験手法 | ELECTRON MICROSCOPY (2.67 Å) | 主引用文献 | SARS-CoV-2 hijacks neutralizing dimeric IgA for nasal infection and injury in Syrian hamsters 1 . Emerg Microbes Infect, 12, 2023
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7WH8
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7WHD
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![BU of 7whd by Molmil](/molmil-images/mine/7whd) | SARS-CoV-2 spike in complex with the ZB8 neutralizing antibody Fab (2u1d) | 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, Spike glycoprotein, ... | 著者 | Zeng, J.W, Wang, X.W, Ge, J.W, Wang, Z.Y. | 登録日 | 2021-12-30 | 公開日 | 2023-01-18 | 最終更新日 | 2023-09-06 | 実験手法 | ELECTRON MICROSCOPY (2.65 Å) | 主引用文献 | SARS-CoV-2 hijacks neutralizing dimeric IgA for nasal infection and injury in Syrian hamsters 1 . Emerg Microbes Infect, 12, 2023
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6CHZ
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![BU of 6chz by Molmil](/molmil-images/mine/6chz) | Estrogen Receptor Alpha Y537S bound to antagonist H3B-9224. | 分子名称: | 1,2-ETHANEDIOL, 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide, Estrogen receptor | 著者 | Larsen, N.A. | 登録日 | 2018-02-23 | 公開日 | 2018-03-21 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Discovery of Selective Estrogen Receptor Covalent Antagonists for the Treatment of ER alphaWTand ER alphaMUTBreast Cancer. Cancer Discov, 8, 2018
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6BQX
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![BU of 6bqx by Molmil](/molmil-images/mine/6bqx) | Crystal structure of Escherichia coli DsbA in complex with N-methyl-1-(4-phenoxyphenyl)methanamine | 分子名称: | N-methyl-1-(4-phenoxyphenyl)methanamine, Thiol:disulfide interchange protein DsbA | 著者 | Heras, B, Totsika, M, Paxman, J.J, Wang, G, Scanlon, M.J. | 登録日 | 2017-11-29 | 公開日 | 2017-12-27 | 最終更新日 | 2020-01-01 | 実験手法 | X-RAY DIFFRACTION (1.992 Å) | 主引用文献 | Inhibition of Diverse DsbA Enzymes in Multi-DsbA Encoding Pathogens. Antioxid. Redox Signal., 29, 2018
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6CHW
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![BU of 6chw by Molmil](/molmil-images/mine/6chw) | Estrogen Receptor Alpha Y537S covalently bound to antagonist H3B-5942. | 分子名称: | 1,2-ETHANEDIOL, 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide, DIMETHYL SULFOXIDE, ... | 著者 | Larsen, N.A. | 登録日 | 2018-02-23 | 公開日 | 2018-03-21 | 最終更新日 | 2020-02-26 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Discovery of Selective Estrogen Receptor Covalent Antagonists for the Treatment of ER alphaWTand ER alphaMUTBreast Cancer. Cancer Discov, 8, 2018
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7MDY
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![BU of 7mdy by Molmil](/molmil-images/mine/7mdy) | LolCDE nucleotide-bound | 分子名称: | ADP ORTHOVANADATE, Lipo-releasing system transmembrane protein lolC, Lipoprotein transporter subunit LolE, ... | 著者 | Sharma, S, Liao, M. | 登録日 | 2021-04-06 | 公開日 | 2021-08-11 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Mechanism of LolCDE as a molecular extruder of bacterial triacylated lipoproteins Nat Commun, 12, 2021
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7MDX
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![BU of 7mdx by Molmil](/molmil-images/mine/7mdx) | LolCDE nucleotide-free | 分子名称: | (2R)-2-(tridecanoyloxy)propyl hexadecanoate, Lipoprotein-releasing system ATP-binding protein LolD, Lipoprotein-releasing system transmembrane protein LolC, ... | 著者 | Sharma, S, Liao, M. | 登録日 | 2021-04-06 | 公開日 | 2021-08-11 | 最終更新日 | 2024-04-17 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Mechanism of LolCDE as a molecular extruder of bacterial triacylated lipoproteins Nat Commun, 12, 2021
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8CD9
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![BU of 8cd9 by Molmil](/molmil-images/mine/8cd9) | Cathepsin B1 from Schistosoma mansoni in complex with gallinamide analog 6 | 分子名称: | 1,2-ETHANEDIOL, Cathepsin B-like peptidase (C01 family), SODIUM ION, ... | 著者 | Rubesova, P, Brynda, J, Fanfrlik, J, Gerwick, W.H, Mares, M. | 登録日 | 2023-01-30 | 公開日 | 2024-02-21 | 最終更新日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Nature-Inspired Gallinamides Are Potent Antischistosomal Agents: Inhibition of the Cathepsin B1 Protease Target and Binding Mode Analysis. Acs Infect Dis., 10, 2024
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8CCU
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![BU of 8ccu by Molmil](/molmil-images/mine/8ccu) | Cathepsin B1 from Schistosoma mansoni in complex with gallinamide analog 1 | 分子名称: | Cathepsin B-like peptidase (C01 family), SODIUM ION, [(2~{S})-1-[[(2~{S})-1-[[(2~{S})-5-[(2~{S})-3-methoxy-2-(2-methylpropyl)-5-oxidanylidene-2~{H}-pyrrol-1-yl]-5-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl] (2~{S},3~{S})-2-(dimethylamino)-3-methyl-pentanoate | 著者 | Rubesova, P, Brynda, J, Gerwick, W.H, Mares, M. | 登録日 | 2023-01-27 | 公開日 | 2024-02-07 | 最終更新日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Nature-Inspired Gallinamides Are Potent Antischistosomal Agents: Inhibition of the Cathepsin B1 Protease Target and Binding Mode Analysis. Acs Infect Dis., 10, 2024
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8CC2
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![BU of 8cc2 by Molmil](/molmil-images/mine/8cc2) | Cathepsin B1 from Schistosoma mansoni in complex with gallinamide A | 分子名称: | Cathepsin B-like peptidase (C01 family), SODIUM ION, gallinamide A, ... | 著者 | Rubesova, P, Brynda, J, Mares, M, Gerwick, W.H. | 登録日 | 2023-01-26 | 公開日 | 2024-02-07 | 最終更新日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Nature-Inspired Gallinamides Are Potent Antischistosomal Agents: Inhibition of the Cathepsin B1 Protease Target and Binding Mode Analysis. Acs Infect Dis., 10, 2024
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3TKT
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![BU of 3tkt by Molmil](/molmil-images/mine/3tkt) | Crystal structure of CYP108D1 from Novosphingobium aromaticivorans DSM12444 | 分子名称: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Yang, W, Bell, S.G, Wang, H, Zhou, W, Bartlam, M, Wong, L.-L, Rao, Z. | 登録日 | 2011-08-29 | 公開日 | 2012-02-29 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure and function of CYP108D1 from Novosphingobium aromaticivorans DSM12444: an aromatic hydrocarbon-binding P450 enzyme Acta Crystallogr.,Sect.D, 68, 2012
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5YEV
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![BU of 5yev by Molmil](/molmil-images/mine/5yev) | Murine DR3 death domain | 分子名称: | SULFATE ION, TNFRSF25 death domain | 著者 | Yin, X, Jin, T. | 登録日 | 2017-09-19 | 公開日 | 2018-09-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal structure and activation mechanism of DR3 death domain. Febs J., 286, 2019
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