7Q8V
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![BU of 7q8v by Molmil](/molmil-images/mine/7q8v) | Crystal structure of TTBK1 in complex with VNG2.73 (compound 42) | 分子名称: | PHOSPHATE ION, Tau-tubulin kinase 1, ~{N}-[4-(2-chloranylphenoxy)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine | 著者 | Chaikuad, A, Nozal, V, Martinez, A, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2021-11-11 | 公開日 | 2022-03-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | TDP-43 Modulation by Tau-Tubulin Kinase 1 Inhibitors: A New Avenue for Future Amyotrophic Lateral Sclerosis Therapy. J.Med.Chem., 65, 2022
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5AE1
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![BU of 5ae1 by Molmil](/molmil-images/mine/5ae1) | Ether Lipid-Generating Enzyme AGPS in complex with inhibitor ZINC69435460 | 分子名称: | (3-(2-FLUOROPHENYL)-N-(1-(2-OXO-2,3-DIHYDRO-1H-BENZO[D]IMIDAZOL-5-YL)ETHYL)BUTANAMIDE), ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE, PEROXISOMAL, ... | 著者 | Piano, V, Benjamin, D.I, Valente, S, Nenci, S, Marrocco, B, Mai, A, Aliverti, A, Nomura, D.K, Mattevi, A. | 登録日 | 2015-08-25 | 公開日 | 2015-09-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery of Inhibitors for the Ether Lipid-Generating Enzyme Agps as Anti-Cancer Agents. Acs Chem.Biol., 10, 2015
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5FV3
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![BU of 5fv3 by Molmil](/molmil-images/mine/5fv3) | Crystal structure of human JARID1B construct c2 in complex with N- Oxalylglycine. | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | 著者 | Nowak, R, Srikannathasan, V, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Talon, R, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | 登録日 | 2016-02-02 | 公開日 | 2016-02-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
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5N09
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![BU of 5n09 by Molmil](/molmil-images/mine/5n09) | Crystal structure of L107C/A313C covalently linked dengue 2 virus envelope glycoprotein dimer in complex with the Fab fragment of the broadly neutralizing human antibody EDE2 A11 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 A11 - Heavy chain, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 A11 - Light chain, ... | 著者 | Duquerroy, S, Rouvinski, A, Guardado-Calvo, P, Vaney, M.-C, Sharma, A, Rey, F. | 登録日 | 2017-02-02 | 公開日 | 2017-06-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (3.9 Å) | 主引用文献 | Covalently linked dengue virus envelope glycoprotein dimers reduce exposure of the immunodominant fusion loop epitope. Nat Commun, 8, 2017
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8V7W
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![BU of 8v7w by Molmil](/molmil-images/mine/8v7w) | |
7Q8Y
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![BU of 7q8y by Molmil](/molmil-images/mine/7q8y) | Crystal structure of TTBK2 in complex with VNG2.73 (compound 42) | 分子名称: | PHOSPHATE ION, Tau-tubulin kinase 2, ~{N}-[4-(2-chloranylphenoxy)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine | 著者 | Chaikuad, A, Nozal, V, Martinez, A, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2021-11-11 | 公開日 | 2022-03-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | TDP-43 Modulation by Tau-Tubulin Kinase 1 Inhibitors: A New Avenue for Future Amyotrophic Lateral Sclerosis Therapy. J.Med.Chem., 65, 2022
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7Q8Z
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![BU of 7q8z by Molmil](/molmil-images/mine/7q8z) | Crystal structure of TTBK2 in complex with VNG1.33 (compound 27) | 分子名称: | PHOSPHATE ION, Tau-tubulin kinase 2, ~{N}-(4-phenoxyphenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine | 著者 | Chaikuad, A, Nozal, V, Martinez, A, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2021-11-11 | 公開日 | 2022-03-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | TDP-43 Modulation by Tau-Tubulin Kinase 1 Inhibitors: A New Avenue for Future Amyotrophic Lateral Sclerosis Therapy. J.Med.Chem., 65, 2022
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8VKT
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![BU of 8vkt by Molmil](/molmil-images/mine/8vkt) | Crystallographic structure of dimetalated DapE from Enterococcus faecium | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, Probable succinyl-diaminopimelate desuccinylase, ... | 著者 | Gonzalez-Segura, L, Diaz-Vilchis, A, Terrazas-Lopez, M, Diaz-Sanchez, A.G. | 登録日 | 2024-01-09 | 公開日 | 2024-05-29 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (1.398 Å) | 主引用文献 | The three-dimensional structure of DapE from Enterococcus faecium reveals new insights into DapE/ArgE subfamily ligand specificity. Int.J.Biol.Macromol., 270, 2024
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7Q8W
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![BU of 7q8w by Molmil](/molmil-images/mine/7q8w) | Crystal structure of TTBK1 in complex with VNG1.35 (compound 23) | 分子名称: | 1,2-ETHANEDIOL, PHOSPHATE ION, Tau-tubulin kinase 1, ... | 著者 | Chaikuad, A, Nozal, V, Martinez, A, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2021-11-11 | 公開日 | 2022-03-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | TDP-43 Modulation by Tau-Tubulin Kinase 1 Inhibitors: A New Avenue for Future Amyotrophic Lateral Sclerosis Therapy. J.Med.Chem., 65, 2022
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7Q90
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![BU of 7q90 by Molmil](/molmil-images/mine/7q90) | Crystal structure of TTBK2 in complex with VNG1.63 (compound 32) | 分子名称: | PHOSPHATE ION, Tau-tubulin kinase 2, ~{N}-[4-(4-methoxyphenoxy)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine | 著者 | Chaikuad, A, Nozal, V, Martinez, A, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2021-11-11 | 公開日 | 2022-03-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | TDP-43 Modulation by Tau-Tubulin Kinase 1 Inhibitors: A New Avenue for Future Amyotrophic Lateral Sclerosis Therapy. J.Med.Chem., 65, 2022
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8WWR
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![BU of 8wwr by Molmil](/molmil-images/mine/8wwr) | |
8AP9
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![BU of 8ap9 by Molmil](/molmil-images/mine/8ap9) | rotor of the Trypanosoma brucei mitochondrial ATP synthase dimer | 分子名称: | ATP synthase gamma subunit, ATP synthase subunit epsilon, mitochondrial, ... | 著者 | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | 登録日 | 2022-08-09 | 公開日 | 2022-10-26 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases. Nat Commun, 13, 2022
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8AP8
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![BU of 8ap8 by Molmil](/molmil-images/mine/8ap8) | Peripheral stalk of Trypanosoma brucei mitochondrial ATP synthase | 分子名称: | ATPTB3, ATPTB4, OSCP, ... | 著者 | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | 登録日 | 2022-08-09 | 公開日 | 2022-10-26 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases. Nat Commun, 13, 2022
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8AP7
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![BU of 8ap7 by Molmil](/molmil-images/mine/8ap7) | membrane region of the Trypanosoma brucei mitochondrial ATP synthase dimer | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ... | 著者 | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | 登録日 | 2022-08-09 | 公開日 | 2022-10-26 | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | 主引用文献 | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases. Nat Commun, 13, 2022
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8APC
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![BU of 8apc by Molmil](/molmil-images/mine/8apc) | rotational state 1c of the Trypanosoma brucei mitochondrial ATP synthase dimer | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ... | 著者 | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | 登録日 | 2022-08-09 | 公開日 | 2022-10-26 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases. Nat Commun, 13, 2022
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8APF
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![BU of 8apf by Molmil](/molmil-images/mine/8apf) | rotational state 2a of the Trypanosoma brucei mitochondrial ATP synthase dimer | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ... | 著者 | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | 登録日 | 2022-08-09 | 公開日 | 2022-10-26 | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | 主引用文献 | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases. Nat Commun, 13, 2022
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8APD
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![BU of 8apd by Molmil](/molmil-images/mine/8apd) | rotational state 1d of the Trypanosoma brucei mitochondrial ATP synthase dimer | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ... | 著者 | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | 登録日 | 2022-08-09 | 公開日 | 2022-10-26 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases. Nat Commun, 13, 2022
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8V8G
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![BU of 8v8g by Molmil](/molmil-images/mine/8v8g) | Room-temperature X-ray structure of SARS-CoV-2 main protease catalytic domain (residues 1-196) in complex with ensitrelvir (ESV) | 分子名称: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | 著者 | Kovalevsky, A, Coates, L. | 登録日 | 2023-12-05 | 公開日 | 2024-05-29 | 最終更新日 | 2024-06-12 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Visualizing the Active Site Oxyanion Loop Transition Upon Ensitrelvir Binding and Transient Dimerization of SARS-CoV-2 Main Protease. J.Mol.Biol., 436, 2024
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8APJ
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![BU of 8apj by Molmil](/molmil-images/mine/8apj) | rotational state 2d of Trypanosoma brucei mitochondrial ATP synthase | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ... | 著者 | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | 登録日 | 2022-08-09 | 公開日 | 2022-10-26 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases. Nat Commun, 13, 2022
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8APH
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![BU of 8aph by Molmil](/molmil-images/mine/8aph) | rotational state 2c of the Trypanosoma brucei mitochondrial ATP synthase dimer | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ... | 著者 | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | 登録日 | 2022-08-09 | 公開日 | 2022-10-26 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases. Nat Commun, 13, 2022
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8APB
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![BU of 8apb by Molmil](/molmil-images/mine/8apb) | rotational state 1b of the Trypanosoma brucei mitochondrial ATP synthase dimer | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ... | 著者 | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | 登録日 | 2022-08-09 | 公開日 | 2022-10-26 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases. Nat Commun, 13, 2022
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8APA
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![BU of 8apa by Molmil](/molmil-images/mine/8apa) | rotational state 1a of the Trypanosoma brucei mitochondrial ATP synthase dimer | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ... | 著者 | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | 登録日 | 2022-08-09 | 公開日 | 2022-10-26 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases. Nat Commun, 13, 2022
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8APE
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![BU of 8ape by Molmil](/molmil-images/mine/8ape) | rotational state 1e of the Trypanosoma brucei mitochondrial ATP synthase dimer | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ... | 著者 | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | 登録日 | 2022-08-09 | 公開日 | 2022-10-26 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases. Nat Commun, 13, 2022
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8APK
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![BU of 8apk by Molmil](/molmil-images/mine/8apk) | rotational state 3 of the Trypanosoma brucei mitochondrial ATP synthase dimer | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ... | 著者 | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | 登録日 | 2022-08-09 | 公開日 | 2022-10-26 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases. Nat Commun, 13, 2022
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8APG
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![BU of 8apg by Molmil](/molmil-images/mine/8apg) | rotational state 2b of the Trypanosoma brucei mitochondrial ATP synthase dimer | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ... | 著者 | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | 登録日 | 2022-08-09 | 公開日 | 2022-10-26 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases. Nat Commun, 13, 2022
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