8HJT
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![BU of 8hjt by Molmil](/molmil-images/mine/8hjt) | Crystal Structure of Intracellular B30.2 Domain of VpBTN3 and VpBTN2 in Complex with HMBPP | 分子名称: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Butyrophylin 3, ... | 著者 | Yang, Y.Y, Shen, P.P, Li, X, Yi, S.M, Zhang, M.T, Huang, J.-W, Chen, C.-C, Guo, R.-T. | 登録日 | 2022-11-23 | 公開日 | 2023-09-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | 主引用文献 | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells. Nature, 621, 2023
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7WF7
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![BU of 7wf7 by Molmil](/molmil-images/mine/7wf7) | Cryo-EM of Sphingosine 1-phosphate receptor 1 / Gi complex bound to S1P | 分子名称: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | 著者 | He, Y, Xu, Z. | 登録日 | 2021-12-26 | 公開日 | 2022-01-05 | 最終更新日 | 2022-03-16 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Structural basis of sphingosine-1-phosphate receptor 1 activation and biased agonism. Nat.Chem.Biol., 18, 2022
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7W7F
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![BU of 7w7f by Molmil](/molmil-images/mine/7w7f) | Cryo-EM structure of human NaV1.3/beta1/beta2-ICA121431 | 分子名称: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2,2-diphenyl-~{N}-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]ethanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Jiang, D, Li, X. | 登録日 | 2021-12-04 | 公開日 | 2022-04-06 | 実験手法 | ELECTRON MICROSCOPY (3.35 Å) | 主引用文献 | Structural basis for modulation of human Na V 1.3 by clinical drug and selective antagonist. Nat Commun, 13, 2022
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7W77
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![BU of 7w77 by Molmil](/molmil-images/mine/7w77) | cryo-EM structure of human NaV1.3/beta1/beta2-bulleyaconitineA | 分子名称: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 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 | Jiang, D, Li, X. | 登録日 | 2021-12-03 | 公開日 | 2022-04-06 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Structural basis for modulation of human Na V 1.3 by clinical drug and selective antagonist. Nat Commun, 13, 2022
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7U0S
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![BU of 7u0s by Molmil](/molmil-images/mine/7u0s) | Crystal Structure of FK506-binding protein 1A from Aspergillus fumigatus Bound to Ascomycin | 分子名称: | (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,22R,26aS)-8-ethyl-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone, ACETATE ION, FK506-binding protein 1A, ... | 著者 | DeBouver, N.D, Fox III, D, Hoy, M.J, Heitman, J, Lorimer, D.D, Horanyi, P.S, Edwards, T.E, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | 登録日 | 2022-02-18 | 公開日 | 2022-07-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure-Guided Synthesis of FK506 and FK520 Analogs with Increased Selectivity Exhibit In Vivo Therapeutic Efficacy against Cryptococcus. Mbio, 13, 2022
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7U0T
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![BU of 7u0t by Molmil](/molmil-images/mine/7u0t) | Crystal Structure of a human Calcineurin A - Calcineurin B fusion bound to FKBP12 and FK-520 | 分子名称: | (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,22R,26aS)-8-ethyl-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 1,2-ETHANEDIOL, CALCIUM ION, ... | 著者 | Fox III, D, Mayclin, S.J, DeBouver, N.D, Hoy, M.J, Heitman, J, Lorimer, D.D, Horanyi, P.S, Edwards, T.E, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | 登録日 | 2022-02-18 | 公開日 | 2022-08-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Structure-Guided Synthesis of FK506 and FK520 Analogs with Increased Selectivity Exhibit In Vivo Therapeutic Efficacy against Cryptococcus. Mbio, 13, 2022
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7W3U
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![BU of 7w3u by Molmil](/molmil-images/mine/7w3u) | USP34 catalytic domain in complex with UbPA | 分子名称: | Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 34, ZINC ION, ... | 著者 | Xu, G.L, Ming, Z.H. | 登録日 | 2021-11-26 | 公開日 | 2022-06-01 | 最終更新日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (3.13 Å) | 主引用文献 | Structural Insights into the Catalytic Mechanism and Ubiquitin Recognition of USP34. J.Mol.Biol., 434, 2022
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7W54
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7UUU
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![BU of 7uuu by Molmil](/molmil-images/mine/7uuu) | First bromodomain of BRDT liganded with compound 2c | 分子名称: | 1,2-ETHANEDIOL, Bromodomain testis-specific protein, prop-2-en-1-yl (5S)-1-ethyl-7-methyl-5-(4-methylphenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate | 著者 | Schonbrunn, E, Chan, A. | 登録日 | 2022-04-29 | 公開日 | 2022-08-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | 1,4-Dihydropyridinebutyrolactone-derived ring-opened ester and amide analogs targeting BET bromodomains. Arch Pharm, 355, 2022
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7UTY
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![BU of 7uty by Molmil](/molmil-images/mine/7uty) | First bromodomain of BRD4 liganded with compound 2c | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, prop-2-en-1-yl (5S)-1-ethyl-7-methyl-5-(4-methylphenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate | 著者 | Schonbrunn, E, Chan, A. | 登録日 | 2022-04-28 | 公開日 | 2022-08-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | 1,4-Dihydropyridinebutyrolactone-derived ring-opened ester and amide analogs targeting BET bromodomains. Arch Pharm, 355, 2022
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7UW2
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![BU of 7uw2 by Molmil](/molmil-images/mine/7uw2) | Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with UAB116 and coactivator peptide GRIP-1 | 分子名称: | (2E,4E,6Z,8E)-8-{3-[(2S)-butan-2-yl]-2-(3-methylbutyl)cyclohex-2-en-1-ylidene}-3,7-dimethylocta-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | 著者 | Chattopadhyay, D, Yang, Z, Atigadda, V. | 登録日 | 2022-05-02 | 公開日 | 2023-03-15 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Conformationally Defined Rexinoids for the Prevention of Inflammation and Nonmelanoma Skin Cancers. J.Med.Chem., 65, 2022
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7UW4
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![BU of 7uw4 by Molmil](/molmil-images/mine/7uw4) | Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with UAB113 and coactivator peptide GRIP-1 | 分子名称: | (2E,4E,6Z,8E)-3,7-dimethyl-8-[2-(3-methylbutyl)-3-propylcyclohex-2-en-1-ylidene]octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | 著者 | Chattopadhyay, D, Yang, Z, Atigadda, V. | 登録日 | 2022-05-02 | 公開日 | 2023-03-15 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Conformationally Defined Rexinoids for the Prevention of Inflammation and Nonmelanoma Skin Cancers. J.Med.Chem., 65, 2022
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8I4C
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![BU of 8i4c by Molmil](/molmil-images/mine/8i4c) | Cryo-EM structure of U46619-bound ABCC4 | 分子名称: | (5Z)-7-{(1R,4S,5S,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid, ATP-binding cassette sub-family C member 4 | 著者 | Chen, Y, Wang, L, Hou, W.T, Zhou, C.Z, Chen, Y, Li, Q. | 登録日 | 2023-01-19 | 公開日 | 2023-05-24 | 実験手法 | ELECTRON MICROSCOPY (3.08 Å) | 主引用文献 | Cryo-EM structure ofABCC4 Nat Cardiovasc Res, 2023
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7UHF
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![BU of 7uhf by Molmil](/molmil-images/mine/7uhf) | Human L-type voltage-gated calcium channel Cav1.3 in the presence of cinnarizine at 3.1 Angstrom resolution | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-(diphenylmethyl)-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Gao, S, Yao, X, Yan, N. | 登録日 | 2022-03-26 | 公開日 | 2022-05-11 | 最終更新日 | 2022-10-12 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Structural basis for pore blockade of human voltage-gated calcium channel Ca v 1.3 by motion sickness drug cinnarizine. Cell Res., 32, 2022
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7W3Q
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![BU of 7w3q by Molmil](/molmil-images/mine/7w3q) | Crystal structure of RORgamma in complex with natural inverse agonist | 分子名称: | (3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-6-methyl-2-oxidanyl-hept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol, Nuclear receptor ROR-gamma, Peptide from Nuclear receptor coactivator 2 | 著者 | Tian, S.Y, Li, Y. | 登録日 | 2021-11-25 | 公開日 | 2022-12-07 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of RORgamma in complex with natural inverse agonist To Be Published
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8I39
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![BU of 8i39 by Molmil](/molmil-images/mine/8i39) | Cryo-EM structure of abscisic acid transporter AtABCG25 with ABA | 分子名称: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, ABC transporter G family member 25 | 著者 | Huang, X, Zhang, X, Zhang, P. | 登録日 | 2023-01-16 | 公開日 | 2023-09-13 | 最終更新日 | 2023-11-01 | 実験手法 | ELECTRON MICROSCOPY (2.85 Å) | 主引用文献 | Cryo-EM structure and molecular mechanism of abscisic acid transporter ABCG25. Nat.Plants, 9, 2023
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8IFR
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![BU of 8ifr by Molmil](/molmil-images/mine/8ifr) | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 3 | 分子名称: | (1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-N-[(2S)-5-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]hex-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | 著者 | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | 登録日 | 2023-02-19 | 公開日 | 2023-10-18 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir. Nat Commun, 14, 2023
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7V33
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![BU of 7v33 by Molmil](/molmil-images/mine/7v33) | Active state complex I from rotenone-NADH dataset | 分子名称: | (2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one, (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ... | 著者 | Gu, J.K, Yang, M.J. | 登録日 | 2021-08-10 | 公開日 | 2022-03-02 | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | 主引用文献 | The coupling mechanism of mammalian mitochondrial complex I. Nat.Struct.Mol.Biol., 29, 2022
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8HZU
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![BU of 8hzu by Molmil](/molmil-images/mine/8hzu) | |
7V31
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![BU of 7v31 by Molmil](/molmil-images/mine/7v31) | Active state complex I from rotenone dataset | 分子名称: | (2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one, (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ... | 著者 | Gu, J.K, Yang, M.J. | 登録日 | 2021-08-10 | 公開日 | 2022-03-02 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | The coupling mechanism of mammalian mitochondrial complex I. Nat.Struct.Mol.Biol., 29, 2022
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8I2U
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![BU of 8i2u by Molmil](/molmil-images/mine/8i2u) | Crystal structure of AtHPPD-YH20282 complex | 分子名称: | 2-[2-chloranyl-4-methylsulfonyl-3-(2-trimethylsilylethoxy)phenyl]carbonyl-3-oxidanyl-cyclohex-2-en-1-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | 著者 | Dong, J, Lin, H.-Y, Yang, G.-F. | 登録日 | 2023-01-15 | 公開日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.989 Å) | 主引用文献 | Crystal structure of AtHPPD-YH20282 complex To Be Published
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8IRO
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![BU of 8iro by Molmil](/molmil-images/mine/8iro) | trans-Zeatin bound state of Arabidopsis AZG1 at pH7.4 | 分子名称: | (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Adenine/guanine permease AZG1 | 著者 | Xu, L, Guo, J. | 登録日 | 2023-03-19 | 公開日 | 2024-01-17 | 最終更新日 | 2024-02-07 | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | 主引用文献 | Structures and mechanisms of the Arabidopsis cytokinin transporter AZG1. Nat.Plants, 10, 2024
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7WJK
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![BU of 7wjk by Molmil](/molmil-images/mine/7wjk) | Complex structure of AtHPPD-ZWJ | 分子名称: | 3-[2-[4-[[4-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-8-yl]phenoxy]methyl]-1,2,3-triazol-1-yl]ethyl]-1,5-dimethyl-6-[(1S)-2-oxidanyl-6-oxidanylidene-cyclohex-2-en-1-yl]carbonyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | 著者 | Yang, G.-F, Lin, H.-Y, Dong, J. | 登録日 | 2022-01-06 | 公開日 | 2023-01-25 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.704 Å) | 主引用文献 | Complex structure of AtHPPD-PyQ1 To Be Published
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7W1Z
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![BU of 7w1z by Molmil](/molmil-images/mine/7w1z) | Active state CI from Rotenone-NADH dataset, Subclass 2 | 分子名称: | (2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one, (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ... | 著者 | Gu, J.K, Yang, M.J. | 登録日 | 2021-11-21 | 公開日 | 2023-01-18 | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | 主引用文献 | The coupling mechanism of mammalian mitochondrial complex I. Nat.Struct.Mol.Biol., 29, 2022
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8IAJ
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![BU of 8iaj by Molmil](/molmil-images/mine/8iaj) | Cryo-EM structure of the yeast SPT-ORM2 (ORM2-S3A) complex | 分子名称: | N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]tetracosanamide, PYRIDOXAL-5'-PHOSPHATE, Protein ORM2, ... | 著者 | Xie, T, Gong, X. | 登録日 | 2023-02-08 | 公開日 | 2024-02-14 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Collaborative regulation of yeast SPT-Orm2 complex by phosphorylation and ceramide. Cell Rep, 43, 2024
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