7QGH
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![BU of 7qgh by Molmil](/molmil-images/mine/7qgh) | Structure of the E. coli disome - collided 70S ribosome | 分子名称: | 16S rRNA, 23S rRNA, 30S ribosomal protein S1, ... | 著者 | Kratzat, H, Buschauer, R, Berninghausen, O, Beckmann, R. | 登録日 | 2021-12-08 | 公開日 | 2022-03-16 | 最終更新日 | 2022-03-30 | 実験手法 | ELECTRON MICROSCOPY (4.48 Å) | 主引用文献 | Ribosome collisions induce mRNA cleavage and ribosome rescue in bacteria. Nature, 603, 2022
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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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5FPT
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![BU of 5fpt by Molmil](/molmil-images/mine/5fpt) | Structure of hepatitis C virus (HCV) full-length NS3 complex with small-molecule ligand 2-(1-methyl-1H-indol-3-yl)acetic acid (AT3437) in an alternate binding site. | 分子名称: | (1-methyl-1H-indol-3-yl)acetic acid, HEPATITIS C VIRUS FULL-LENGTH NS3 COMPLEX | 著者 | Jhoti, H, Ludlow, R.F, Saini, H.K, Tickle, I.J, Verdonk, M, Pathuri, P, Williams, P.A. | 登録日 | 2015-12-02 | 公開日 | 2015-12-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.72 Å) | 主引用文献 | Detection of Secondary Binding Sites in Proteins Using Fragment Screening. Proc.Natl.Acad.Sci.USA, 112, 2015
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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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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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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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3JCF
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![BU of 3jcf by Molmil](/molmil-images/mine/3jcf) | |
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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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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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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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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7QT6
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![BU of 7qt6 by Molmil](/molmil-images/mine/7qt6) | Room temperature In-situ SARS-CoV-2 MPRO with bound Z1367324110 | 分子名称: | 1-methyl-3,4-dihydro-2~{H}-quinoline-7-sulfonamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | 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 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.11 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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5GJV
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![BU of 5gjv by Molmil](/molmil-images/mine/5gjv) | Structure of the mammalian voltage-gated calcium channel Cav1.1 complex at near atomic resolution | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Wu, J.P, Yan, Z, Li, Z.Q, Zhou, Q, Yan, N. | 登録日 | 2016-07-02 | 公開日 | 2016-09-14 | 最終更新日 | 2023-11-15 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Structure of the voltage-gated calcium channel Cav1.1 at 3.6 angstrom resolution Nature, 537, 2016
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7QT5
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![BU of 7qt5 by Molmil](/molmil-images/mine/7qt5) | Room temperature In-situ SARS-CoV-2 MPRO with bound Z31792168 | 分子名称: | 2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | 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 (2.26 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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5JRL
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![BU of 5jrl by Molmil](/molmil-images/mine/5jrl) | |
7QT7
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![BU of 7qt7 by Molmil](/molmil-images/mine/7qt7) | Room temperature In-situ SARS-CoV-2 MPRO with bound Z4439011520 | 分子名称: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-(5-tert-butyl-1,2-oxazol-3-yl)-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide | 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 (2.25 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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5GO9
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![BU of 5go9 by Molmil](/molmil-images/mine/5go9) | |
4P44
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![BU of 4p44 by Molmil](/molmil-images/mine/4p44) | |
7QGF
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![BU of 7qgf by Molmil](/molmil-images/mine/7qgf) | Cubic Insulin SAD phasing at 14.2 keV | 分子名称: | Insulin A chain, Insulin B chain | 著者 | Nanao, M.H, Basu, S. | 登録日 | 2021-12-08 | 公開日 | 2022-06-01 | 実験手法 | X-RAY DIFFRACTION (1.203 Å) | 主引用文献 | ID23-2: an automated and high-performance microfocus beamline for macromolecular crystallography at the ESRF. J.Synchrotron Radiat., 29, 2022
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5K2F
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![BU of 5k2f by Molmil](/molmil-images/mine/5k2f) | Structure of NNQQNY from yeast prion Sup35 with cadmium acetate determined by MicroED | 分子名称: | ACETATE ION, CADMIUM ION, Eukaryotic peptide chain release factor GTP-binding subunit | 著者 | Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S. | 登録日 | 2016-05-18 | 公開日 | 2016-09-14 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON CRYSTALLOGRAPHY (1 Å) | 主引用文献 | Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED. Proc.Natl.Acad.Sci.USA, 113, 2016
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5GJW
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![BU of 5gjw by Molmil](/molmil-images/mine/5gjw) | Structure of the mammalian voltage-gated calcium channel Cav1.1 complex for ClassII map | 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Wu, J.P, Yan, Z, Li, Z.Q, Zhou, Q, Yan, N. | 登録日 | 2016-07-02 | 公開日 | 2016-09-14 | 最終更新日 | 2023-11-15 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Structure of the voltage-gated calcium channel Cav1.1 at 3.6 angstrom resolution Nature, 537, 2016
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