6OVO
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![BU of 6ovo by Molmil](/molmil-images/mine/6ovo) | Crystal structure of the unliganded PG10 TCR | 分子名称: | 1,2-ETHANEDIOL, Alpha Chain T-Cell Receptor PG10, Beta Chain T-Cell Receptor PG10, ... | 著者 | Shahine, A, Rossjohn, J. | 登録日 | 2019-05-08 | 公開日 | 2019-11-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | 主引用文献 | A TCR beta-Chain Motif Biases toward Recognition of Human CD1 Proteins. J Immunol., 203, 2019
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7Q0A
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![BU of 7q0a by Molmil](/molmil-images/mine/7q0a) | SARS-CoV-2 Spike ectodomain with Fab FI3A | 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, FI3A fab Light chain, ... | 著者 | Duyvesteyn, H.M.E, Ren, J, Stuart, D.I. | 登録日 | 2021-10-14 | 公開日 | 2022-02-23 | 実験手法 | ELECTRON MICROSCOPY (4.8 Å) | 主引用文献 | Structures and therapeutic potential of anti-RBD human monoclonal antibodies against SARS-CoV-2. Theranostics, 12, 2022
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8PPM
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![BU of 8ppm by Molmil](/molmil-images/mine/8ppm) | |
7Q1W
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![BU of 7q1w by Molmil](/molmil-images/mine/7q1w) | Ruminococcus gnavus ATC29149 endo-beta-1,4-galactosidase (RgGH98) E411A in complex with blood group A (BgA II) tetrasaccharide | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, GLYCEROL, ... | 著者 | Owen, C.D, Wu, H, Crost, E.H, van Bakel, W, Gascuena, A.M, Latousakis, D, Hicks, T, Walpole, S, Urbanowicz, P.A, Ndeh, D, Monaco, S, Salom, L.S, Griffiths, R, Colvile, A, Spencer, D.I.R, Walsh, M.A, Angulo, J, Juge, N. | 登録日 | 2021-10-21 | 公開日 | 2022-03-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | The human gut symbiont Ruminococcus gnavus shows specificity to blood group A antigen during mucin glycan foraging: Implication for niche colonisation in the gastrointestinal tract. Plos Biol., 19, 2021
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1A5J
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![BU of 1a5j by Molmil](/molmil-images/mine/1a5j) | CHICKEN B-MYB DNA BINDING DOMAIN, REPEAT 2 AND REPEAT3, NMR, 32 STRUCTURES | 分子名称: | B-MYB | 著者 | Mcintosh, P.B, Carr, M.D, Wollborn, U, Frenkiel, T.A, Feeney, J, Mccormick, J.E, Klempnauer, K.H. | 登録日 | 1998-02-16 | 公開日 | 1998-07-01 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of the B-Myb DNA-binding domain: a possible role for conformational instability of the protein in DNA binding and control of gene expression. Biochemistry, 37, 1998
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8CZO
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![BU of 8czo by Molmil](/molmil-images/mine/8czo) | Cryo-EM structure of BCL10 CARD - MALT1 DD filament | 分子名称: | B-cell lymphoma/leukemia 10, Mucosa-associated lymphoid tissue lymphoma translocation protein 1 | 著者 | David, L, Wu, H. | 登録日 | 2022-05-25 | 公開日 | 2022-06-22 | 最終更新日 | 2022-08-17 | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | 主引用文献 | BCL10 Mutations Define Distinct Dependencies Guiding Precision Therapy for DLBCL. Cancer Discov, 12, 2022
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8CZU
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![BU of 8czu by Molmil](/molmil-images/mine/8czu) | Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 16d | 分子名称: | 3C-like proteinase, [(1~{S},2~{S})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate | 著者 | Liu, L, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2022-05-25 | 公開日 | 2022-06-22 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
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8CZT
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![BU of 8czt by Molmil](/molmil-images/mine/8czt) | Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 15d | 分子名称: | 3C-like proteinase, [(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate | 著者 | Liu, L, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2022-05-25 | 公開日 | 2022-06-22 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
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8CZV
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![BU of 8czv by Molmil](/molmil-images/mine/8czv) | Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 17d | 分子名称: | 3C-like proteinase, [(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, [(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate | 著者 | Liu, L, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2022-05-25 | 公開日 | 2022-06-22 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
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8CZD
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![BU of 8czd by Molmil](/molmil-images/mine/8czd) | Cryo-EM structure of BCL10 R58Q filament | 分子名称: | B-cell lymphoma/leukemia 10 | 著者 | David, L, Wu, H. | 登録日 | 2022-05-24 | 公開日 | 2022-06-22 | 最終更新日 | 2024-02-14 | 実験手法 | ELECTRON MICROSCOPY (4.6 Å) | 主引用文献 | BCL10 Mutations Define Distinct Dependencies Guiding Precision Therapy for DLBCL. Cancer Discov, 12, 2022
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6O76
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![BU of 6o76 by Molmil](/molmil-images/mine/6o76) | |
8CZX
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![BU of 8czx by Molmil](/molmil-images/mine/8czx) | Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 17d | 分子名称: | 3C-like proteinase, TETRAETHYLENE GLYCOL, [(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, ... | 著者 | Machen, A.J, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2022-05-25 | 公開日 | 2022-06-22 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
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6OP3
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![BU of 6op3 by Molmil](/molmil-images/mine/6op3) | |
8CZW
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![BU of 8czw by Molmil](/molmil-images/mine/8czw) | Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 15d | 分子名称: | 3C-like proteinase, TETRAETHYLENE GLYCOL, [(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, ... | 著者 | Machen, A.J, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2022-05-25 | 公開日 | 2022-06-22 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
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8Q1M
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![BU of 8q1m by Molmil](/molmil-images/mine/8q1m) | Aplysia californica acetylcholine-binding protein in complex with Spiroimine (+)-4 R | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Soluble acetylcholine receptor, ... | 著者 | Sulzenbacher, G, Bourne, Y, Marchot, P. | 登録日 | 2023-07-31 | 公開日 | 2024-04-03 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The Cyclic Imine Core Common to the Marine Macrocyclic Toxins Is Sufficient to Dictate Nicotinic Acetylcholine Receptor Antagonism. Mar Drugs, 22, 2024
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8QTL
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![BU of 8qtl by Molmil](/molmil-images/mine/8qtl) | Aplysia californica acetylcholine-binding protein in complex with Spiroimine (-)-4 S | 分子名称: | CHLORIDE ION, ISOPROPYL ALCOHOL, Soluble acetylcholine receptor, ... | 著者 | Sulzenbacher, G, Bourne, Y, Marchot, P. | 登録日 | 2023-10-12 | 公開日 | 2024-04-03 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | The Cyclic Imine Core Common to the Marine Macrocyclic Toxins Is Sufficient to Dictate Nicotinic Acetylcholine Receptor Antagonism. Mar Drugs, 22, 2024
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1AO0
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![BU of 1ao0 by Molmil](/molmil-images/mine/1ao0) | |
8DGY
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![BU of 8dgy by Molmil](/molmil-images/mine/8dgy) | Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 16d (high resolution) | 分子名称: | 3C-like proteinase, [(1~{R},2~{R})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, [(1~{R},2~{R})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate | 著者 | Lovell, S, Liu, L, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2022-06-24 | 公開日 | 2022-07-06 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
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5IQ5
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![BU of 5iq5 by Molmil](/molmil-images/mine/5iq5) | NMR solution structure of Mayaro virus macro domain | 分子名称: | Macro domain | 著者 | Melekis, E, Tsika, A.C, Bentrop, D, Papageorgiou, N, Coutard, B, Spyroulias, G.A. | 登録日 | 2016-03-10 | 公開日 | 2017-12-20 | 最終更新日 | 2024-06-19 | 実験手法 | SOLUTION NMR | 主引用文献 | Deciphering the Nucleotide and RNA Binding Selectivity of the Mayaro Virus Macro Domain. J.Mol.Biol., 431, 2019
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7PH3
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![BU of 7ph3 by Molmil](/molmil-images/mine/7ph3) | AMP-PNP bound nanodisc reconstituted MsbA with nanobodies, spin-labeled at position A60C | 分子名称: | (1~{R},4~{R},11~{S},14~{S},19~{Z})-19-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethylimino]-7,8,17,18-tetraoxa-1,4,11,14-tetrazatricyclo[12.6.2.2^{4,11}]tetracosane-6,9,16-trione, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ATP-dependent lipid A-core flippase, ... | 著者 | Parey, K, Januliene, D, Galazzo, L, Meier, G, Vecchis, D, Striednig, B, Hilbi, H, Schaefer, L.V, Kuprov, I, Bordignon, E, Seeger, M.A, Moeller, A. | 登録日 | 2021-08-16 | 公開日 | 2022-08-24 | 最終更新日 | 2022-10-26 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | The ABC transporter MsbA adopts the wide inward-open conformation in E. coli cells. Sci Adv, 8, 2022
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7PH7
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![BU of 7ph7 by Molmil](/molmil-images/mine/7ph7) | Nanodisc reconstituted MsbA in complex with nanobodies, spin-labeled at position T68C | 分子名称: | (1~{R},4~{R},11~{S},14~{S},19~{Z})-19-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethylimino]-7,8,17,18-tetraoxa-1,4,11,14-tetrazatricyclo[12.6.2.2^{4,11}]tetracosane-6,9,16-trione, (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{S},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-4-[(3~{R})-3-nonanoyloxytetradecanoyl]oxy-5-[[(3~{R})-3-octanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{S},5~{S},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanylnonanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-oxan-2-yl]methoxy]-5-oxidanyl-oxane-2-carboxylic acid, ATP-binding transport protein multicopy suppressor of htrB, ... | 著者 | Parey, K, Januliene, D, Galazzo, L, Meier, G, Vecchis, D, Striednig, B, Hilbi, H, Schaefer, L.V, Kuprov, I, Bordignon, E, Seeger, M.A, Moeller, A. | 登録日 | 2021-08-16 | 公開日 | 2022-08-24 | 最終更新日 | 2022-10-26 | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | 主引用文献 | The ABC transporter MsbA adopts the wide inward-open conformation in E. coli cells. Sci Adv, 8, 2022
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7PH2
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![BU of 7ph2 by Molmil](/molmil-images/mine/7ph2) | Nanodisc reconstituted MsbA in complex with nanobodies, spin-labeled at position A60C | 分子名称: | (1~{R},4~{R},11~{S},14~{S},19~{Z})-19-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethylimino]-7,8,17,18-tetraoxa-1,4,11,14-tetrazatricyclo[12.6.2.2^{4,11}]tetracosane-6,9,16-trione, (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{S},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-4-[(3~{R})-3-nonanoyloxytetradecanoyl]oxy-5-[[(3~{R})-3-octanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{S},5~{S},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanylnonanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-oxan-2-yl]methoxy]-5-oxidanyl-oxane-2-carboxylic acid, ATP-dependent lipid A-core flippase, ... | 著者 | Januliene, D, Parey, K, Galazzo, L, Meier, G, Vecchis, D, Striednig, B, Hilbi, H, Schaefer, L.V, Kuprov, I, Bordignon, E, Seeger, M.A, Moeller, A. | 登録日 | 2021-08-16 | 公開日 | 2022-08-24 | 最終更新日 | 2022-10-26 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | The ABC transporter MsbA adopts the wide inward-open conformation in E. coli cells. Sci Adv, 8, 2022
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7PH4
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![BU of 7ph4 by Molmil](/molmil-images/mine/7ph4) | AMP-PNP bound nanodisc reconstituted MsbA with nanobodies, spin-labeled at position T68C | 分子名称: | (1~{R},4~{R},11~{S},14~{S},19~{Z})-19-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethylimino]-7,8,17,18-tetraoxa-1,4,11,14-tetrazatricyclo[12.6.2.2^{4,11}]tetracosane-6,9,16-trione, ATP-dependent lipid A-core flippase, DODECYL-BETA-D-MALTOSIDE, ... | 著者 | Parey, K, Januliene, D, Galazzo, L, Meier, G, Vecchis, D, Striednig, B, Hilbi, H, Schaefer, L.V, Kuprov, I, Bordignon, E, Seeger, M.A, Moeller, A. | 登録日 | 2021-08-16 | 公開日 | 2022-08-24 | 最終更新日 | 2022-10-26 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | The ABC transporter MsbA adopts the wide inward-open conformation in E. coli cells. Sci Adv, 8, 2022
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1SEI
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![BU of 1sei by Molmil](/molmil-images/mine/1sei) | STRUCTURE OF 30S RIBOSOMAL PROTEIN S8 | 分子名称: | RIBOSOMAL PROTEIN S8 | 著者 | Davies, C, Ramakrishnan, V, White, S.W. | 登録日 | 1996-08-14 | 公開日 | 1997-03-12 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural evidence for specific S8-RNA and S8-protein interactions within the 30S ribosomal subunit: ribosomal protein S8 from Bacillus stearothermophilus at 1.9 A resolution. Structure, 4, 1996
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6OSP
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![BU of 6osp by Molmil](/molmil-images/mine/6osp) | Crystal Structure Analysis of PIP4K2A | 分子名称: | 4-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}-N-(3-{[6-(1H-indol-3-yl)pyrimidin-4-yl]amino}phenyl)benzamide, GLYCEROL, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | 著者 | Seo, H.-S, Dhe-Paganon, S. | 登録日 | 2019-05-01 | 公開日 | 2020-04-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Targeting the PI5P4K Lipid Kinase Family in Cancer Using Covalent Inhibitors. Cell Chem Biol, 27, 2020
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