7Q8R
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![BU of 7q8r by Molmil](/molmil-images/mine/7q8r) | Keap1 compound complex | 分子名称: | 3-[(5S,8R)-5-(dimethylcarbamoyl)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1 | 著者 | Johansson, P. | 登録日 | 2021-11-11 | 公開日 | 2022-03-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.282 Å) | 主引用文献 | Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction. J.Med.Chem., 65, 2022
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7QGU
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![BU of 7qgu by Molmil](/molmil-images/mine/7qgu) | Structure of the B. subtilis disome - stalled 70S ribosome | 分子名称: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | 著者 | Kratzat, H, Buschauer, R, Berninghausen, O, Beckmann, R. | 登録日 | 2021-12-10 | 公開日 | 2022-03-16 | 最終更新日 | 2022-03-30 | 実験手法 | ELECTRON MICROSCOPY (4.75 Å) | 主引用文献 | Ribosome collisions induce mRNA cleavage and ribosome rescue in bacteria. Nature, 603, 2022
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5NHG
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![BU of 5nhg by Molmil](/molmil-images/mine/5nhg) | Crystal structure of the human dihydrolipoamide dehydrogenase | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, ... | 著者 | Szabo, E, Mizsei, R, Wilk, P, Zambo, Z, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A. | 登録日 | 2017-03-21 | 公開日 | 2018-05-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Crystal structures of the disease-causing D444V mutant and the relevant wild type human dihydrolipoamide dehydrogenase. Free Radic. Biol. Med., 124, 2018
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7QG8
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![BU of 7qg8 by Molmil](/molmil-images/mine/7qg8) | Structure of the collided E. coli disome - VemP-stalled 70S ribosome | 分子名称: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | 著者 | Kratzat, H, Buschauer, R, Berninghausen, O, Beckmann, R. | 登録日 | 2021-12-07 | 公開日 | 2022-03-16 | 最終更新日 | 2022-03-30 | 実験手法 | ELECTRON MICROSCOPY (3.97 Å) | 主引用文献 | Ribosome collisions induce mRNA cleavage and ribosome rescue in bacteria. Nature, 603, 2022
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6FWG
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![BU of 6fwg by Molmil](/molmil-images/mine/6fwg) | Structure of an E333Q variant of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with tetramannoside yeast mannan fragment | 分子名称: | ACETATE ION, Glycosyl hydrolase family 71, alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-methyl alpha-D-mannopyranoside | 著者 | Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | 登録日 | 2018-03-06 | 公開日 | 2019-09-18 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | 主引用文献 | An Epoxide Intermediate in Glycosidase Catalysis. Acs Cent.Sci., 6, 2020
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6FWM
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![BU of 6fwm by Molmil](/molmil-images/mine/6fwm) | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-1,2-anhydro-mannose hydrolyzed by enzyme | 分子名称: | (1~{S},2~{R},3~{S},4~{R},5~{R})-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, ACETATE ION, Glycosyl hydrolase family 71, ... | 著者 | Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | 登録日 | 2018-03-06 | 公開日 | 2019-09-18 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | An Epoxide Intermediate in Glycosidase Catalysis. Acs Cent.Sci., 6, 2020
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6FWQ
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![BU of 6fwq by Molmil](/molmil-images/mine/6fwq) | Structure of an E333Q variant of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-1,3-mannobiose and alpha-1,2-mannobiose | 分子名称: | Glycosyl hydrolase family 71, SODIUM ION, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose, ... | 著者 | Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | 登録日 | 2018-03-07 | 公開日 | 2019-09-18 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | An Epoxide Intermediate in Glycosidase Catalysis. Acs Cent.Sci., 6, 2020
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6FWI
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![BU of 6fwi by Molmil](/molmil-images/mine/6fwi) | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-(1,2-anhydro-carba-mannosamine) | 分子名称: | (1~{R},2~{R},3~{R},4~{R},6~{R})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, ACETATE ION, Glycosyl hydrolase family 71, ... | 著者 | Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | 登録日 | 2018-03-06 | 公開日 | 2019-09-18 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | An Epoxide Intermediate in Glycosidase Catalysis. Acs Cent.Sci., 6, 2020
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3ZM1
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![BU of 3zm1 by Molmil](/molmil-images/mine/3zm1) | Catalytic domain of human SHP2 | 分子名称: | TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 11 | 著者 | Bohm, K, Schuetz, A, Roske, Y, Heinemann, U. | 登録日 | 2013-02-04 | 公開日 | 2014-04-23 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Selective Inhibitors of the Protein Tyrosine Phosphatase Shp2 Block Cellular Motility and Growth of Cancer Cells in Vitro and in Vivo. Chemmedchem, 10, 2015
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6NE3
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![BU of 6ne3 by Molmil](/molmil-images/mine/6ne3) | Cryo-EM structure of singly-bound SNF2h-nucleosome complex with SNF2h bound at SHL-2 | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, DNA (156-MER), Histone H2A type 1, ... | 著者 | Armache, J.-P, Gamarra, N, Johnson, S.L, Leonard, J.D, Wu, S, Narlikar, G.N, Cheng, Y. | 登録日 | 2018-12-16 | 公開日 | 2019-07-17 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Cryo-EM structures of remodeler-nucleosome intermediates suggest allosteric control through the nucleosome. Elife, 8, 2019
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5APO
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![BU of 5apo by Molmil](/molmil-images/mine/5apo) | Structure of the yeast 60S ribosomal subunit in complex with Arx1, Alb1 and C-terminally tagged Rei1 | 分子名称: | 25S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ... | 著者 | Greber, B.J, Gerhardy, S, Leitner, A, Leibundgut, M, Salem, M, Boehringer, D, Leulliot, N, Aebersold, R, Panse, V.G, Ban, N. | 登録日 | 2015-09-17 | 公開日 | 2015-12-16 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (3.41 Å) | 主引用文献 | Insertion of the Biogenesis Factor Rei1 Probes the Ribosomal Tunnel during 60S Maturation. Cell(Cambridge,Mass.), 164, 2016
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7QG5
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![BU of 7qg5 by Molmil](/molmil-images/mine/7qg5) | IRAK4 in complex with inhibitor | 分子名称: | 4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-6-pyrimidin-5-yl-pyrido[4,3-d]pyrimidin-5-one, Interleukin-1 receptor-associated kinase 4 | 著者 | Xue, Y, Aagaard, A, Robb, G.R, Degorce, S.L. | 登録日 | 2021-12-07 | 公開日 | 2022-05-04 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Identification and optimisation of a pyrimidopyridone series of IRAK4 inhibitors. Bioorg.Med.Chem., 63, 2022
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8QE0
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![BU of 8qe0 by Molmil](/molmil-images/mine/8qe0) | |
8QE2
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![BU of 8qe2 by Molmil](/molmil-images/mine/8qe2) | |
7QG2
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![BU of 7qg2 by Molmil](/molmil-images/mine/7qg2) | IRAK4 in complex with inhibitor | 分子名称: | 6-methyl-4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[4,3-d]pyrimidin-5-one, Interleukin-1 receptor-associated kinase 4 | 著者 | Xue, Y, Aagaard, A, Robb, G.R, Degorce, S.L. | 登録日 | 2021-12-07 | 公開日 | 2022-05-04 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3.031 Å) | 主引用文献 | Identification and optimisation of a pyrimidopyridone series of IRAK4 inhibitors. Bioorg.Med.Chem., 63, 2022
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7QWK
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![BU of 7qwk by Molmil](/molmil-images/mine/7qwk) | GCN2 (EIF2ALPHA KINASE 4, E2AK4) IN COMPLEX WITH COMPOUND 2 | 分子名称: | (2~{S})-~{N}-[(1~{S})-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide, DIMETHYL SULFOXIDE, eIF-2-alpha kinase GCN2 | 著者 | Maia de Oliveira, T. | 登録日 | 2022-01-25 | 公開日 | 2022-05-04 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The structure of human GCN2 reveals a parallel, back-to-back kinase dimer with a plastic DFG activation loop motif. Biochem.J., 477, 2020
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8QDZ
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![BU of 8qdz by Molmil](/molmil-images/mine/8qdz) | |
7QT8
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![BU of 7qt8 by Molmil](/molmil-images/mine/7qt8) | Room temperature In-situ SARS-CoV-2 MPRO with bound ABT-957 | 分子名称: | (2~{R})-5-oxidanylidene-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide, 3C-like proteinase | 著者 | Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A. | 登録日 | 2022-01-14 | 公開日 | 2022-05-04 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | xia2.multiplex: a multi-crystal data-analysis pipeline. Acta Crystallogr D Struct Biol, 78, 2022
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7QT9
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![BU of 7qt9 by Molmil](/molmil-images/mine/7qt9) | Room temperature In-situ SARS-CoV-2 MPRO with bound Z4439011584 | 分子名称: | DIMETHYL SULFOXIDE, N-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(1R)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide, Non-structural protein 6 | 著者 | Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A. | 登録日 | 2022-01-14 | 公開日 | 2022-05-04 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | xia2.multiplex: a multi-crystal data-analysis pipeline. Acta Crystallogr D Struct Biol, 78, 2022
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8QE3
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![BU of 8qe3 by Molmil](/molmil-images/mine/8qe3) | |
8QE1
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![BU of 8qe1 by Molmil](/molmil-images/mine/8qe1) | |
7QGN
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![BU of 7qgn by Molmil](/molmil-images/mine/7qgn) | Structure of the SmrB-bound E. coli disome - stalled 70S ribosome | 分子名称: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | 著者 | Kratzat, H, Buschauer, R, Berninghausen, O, Beckmann, R. | 登録日 | 2021-12-09 | 公開日 | 2022-04-27 | 実験手法 | ELECTRON MICROSCOPY (3.37 Å) | 主引用文献 | Ribosome collisions induce mRNA cleavage and ribosome rescue in bacteria. Nature, 603, 2022
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7QB1
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![BU of 7qb1 by Molmil](/molmil-images/mine/7qb1) | PPARg in complex with inhibitor | 分子名称: | 3-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-6-phenoxy-phthalazine-1-carboxylic acid, Peroxisome proliferator-activated receptor gamma, SULFATE ION | 著者 | Petersen, J. | 登録日 | 2021-11-17 | 公開日 | 2022-05-04 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery by Virtual Screening of an Inhibitor of CDK5-Mediated PPAR gamma Phosphorylation. Acs Med.Chem.Lett., 13, 2022
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7QG1
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![BU of 7qg1 by Molmil](/molmil-images/mine/7qg1) | IRAK4 in complex with inhibitor | 分子名称: | Interleukin-1 receptor-associated kinase 4, methyl 4-[4-[[6-(cyanomethyl)-2-[(1-methylpyrazol-4-yl)amino]-5-oxidanylidene-pyrido[4,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate | 著者 | Xue, Y, Aagaard, A, Robb, G.R, Degorce, S.L. | 登録日 | 2021-12-07 | 公開日 | 2022-05-04 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Identification and optimisation of a pyrimidopyridone series of IRAK4 inhibitors. Bioorg.Med.Chem., 63, 2022
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7QG3
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![BU of 7qg3 by Molmil](/molmil-images/mine/7qg3) | IRAK4 in complex with inhibitor | 分子名称: | 6-[(2~{S})-2-fluoranylpropyl]-4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[4,3-d]pyrimidin-5-one, Interleukin-1 receptor-associated kinase 4 | 著者 | Xue, Y, Aagaard, A, Robb, G.R, Degorce, S.L. | 登録日 | 2021-12-07 | 公開日 | 2022-05-04 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Identification and optimisation of a pyrimidopyridone series of IRAK4 inhibitors. Bioorg.Med.Chem., 63, 2022
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