3E7K
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7VYF
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![BU of 7vyf by Molmil](/molmil-images/mine/7vyf) | Matrix arm of active state CI 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, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Acyl carrier protein, ... | 著者 | Gu, J.K, Yang, M.J. | 登録日 | 2021-11-14 | 公開日 | 2022-11-23 | 最終更新日 | 2023-06-28 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | The coupling mechanism of mammalian mitochondrial complex I. Nat.Struct.Mol.Biol., 29, 2022
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3CA3
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![BU of 3ca3 by Molmil](/molmil-images/mine/3ca3) | Crystal structure of Sambucus Nigra Agglutinin II (SNA-II)-tetragonal crystal form- complexed to N-Acetylgalactosamine | 分子名称: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Maveyraud, L, Mourey, L. | 登録日 | 2008-02-19 | 公開日 | 2008-11-25 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structural basis for sugar recognition, including the Tn carcinoma antigen, by the lectin SNA-II from Sambucus nigra Proteins, 75, 2009
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6YAK
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![BU of 6yak by Molmil](/molmil-images/mine/6yak) | Split gene transketolase, active alpha2beta2 heterotetramer | 分子名称: | (2S)-2-hydroxybutanedioic acid, 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, C-terminal component of the split chain transketolase, ... | 著者 | Isupov, M.N, Littlechild, J.A, James, P. | 登録日 | 2020-03-12 | 公開日 | 2020-11-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | A 'Split-Gene' Transketolase From the Hyper-Thermophilic Bacterium Carboxydothermus hydrogenoformans : Structure and Biochemical Characterization. Front Microbiol, 11, 2020
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4DL1
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![BU of 4dl1 by Molmil](/molmil-images/mine/4dl1) | Crystal Structure of human Myeloperoxidase with covalent thioxanthine analog | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(2R)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one, CALCIUM ION, ... | 著者 | Vajdos, F, Varghese, A. | 登録日 | 2012-02-05 | 公開日 | 2012-03-21 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Deconstruction of activity-dependent covalent modification of heme in human neutrophil myeloperoxidase by multistage mass spectrometry (MS(4)). Biochemistry, 51, 2012
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7AJN
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![BU of 7ajn by Molmil](/molmil-images/mine/7ajn) | Crystal Structure of the first bromodomain of BRD4 in complex with a BzD ligand | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(1-adamantylmethyl)-2-[(7~{R},9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-9-yl]ethanamide | 著者 | Picaud, S, Hassel-Hart, S, Tobias, K, Spencer, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P. | 登録日 | 2020-09-29 | 公開日 | 2020-12-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Crystal Structure of the first bromodomain of BRD4 in complex with a BzD ligand To Be Published
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6PCR
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![BU of 6pcr by Molmil](/molmil-images/mine/6pcr) | E. coli 50S ribosome bound to compound 40o | 分子名称: | (2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl (2-bromopyridin-4-yl)carbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ... | 著者 | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | 登録日 | 2019-06-18 | 公開日 | 2020-06-17 | 最終更新日 | 2020-10-07 | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | 主引用文献 | Synthetic group A streptogramin antibiotics that overcome Vat resistance. Nature, 586, 2020
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3K2R
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![BU of 3k2r by Molmil](/molmil-images/mine/3k2r) | Crystal Structure of Spin Labeled T4 Lysozyme Mutant K65V1/R76V1 | 分子名称: | CHLORIDE ION, HEXANE-1,6-DIOL, Lysozyme, ... | 著者 | Toledo Warshaviak, D, Cascio, D, Khramtsov, V.V, Hubbell, W.L. | 登録日 | 2009-09-30 | 公開日 | 2010-10-13 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Crystal Structure of Spin Labeled T4 Lysozyme Mutant K65V1/R76V1 To be Published
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9FVO
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![BU of 9fvo by Molmil](/molmil-images/mine/9fvo) | The HIV protease inhibitor amprenavir binding to the active site of Cryphonectria parasitica endothiapepsin | 分子名称: | 1,2-ETHANEDIOL, ACETIC ACID, Endothiapepsin, ... | 著者 | Falke, S, Senst, J.M, Guenther, S, Meents, A. | 登録日 | 2024-06-27 | 公開日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | The HIV protease inhibitor amprenavir binding to the active site of Cryphonectria parasitica endothiapepsin To Be Published
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7AHQ
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3JT8
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![BU of 3jt8 by Molmil](/molmil-images/mine/3jt8) | Structure of neuronal nitric oxide synthase heme domain complexed with N~5~-{3-[(1-methylethyl)sulfanyl]propanimidoyl}-L-ornithine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2009-09-11 | 公開日 | 2010-01-12 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Heme-coordinating inhibitors of neuronal nitric oxide synthase. Iron-thioether coordination is stabilized by hydrophobic contacts without increased inhibitor potency. J.Am.Chem.Soc., 132, 2010
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4V4H
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![BU of 4v4h by Molmil](/molmil-images/mine/4v4h) | Crystal structure of the bacterial ribosome from Escherichia coli in complex with the antibiotic kasugamyin at 3.5A resolution. | 分子名称: | (1S,2R,3S,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXYL 2-AMINO-4-{[CARBOXY(IMINO)METHYL]AMINO}-2,3,4,6-TETRADEOXY-ALPHA-D-ARABINO-HEXOPYRANOSIDE, 16S RIBOSOMAL RNA, 23S RIBOSOMAL RNA, ... | 著者 | Schuwirth, B.S, Vila-Sanjurjo, A, Cate, J.H.D. | 登録日 | 2006-08-04 | 公開日 | 2014-07-09 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3.46 Å) | 主引用文献 | Structural analysis of kasugamycin inhibition of translation. Nat.Struct.Mol.Biol., 13, 2006
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4W63
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![BU of 4w63 by Molmil](/molmil-images/mine/4w63) | TORPEDO CALIFORNICA ACETYLCHOLINESTERASE IN COMPLEX WITH A TACRINE-BENZOFURAN HYBRID INHIBITOR | 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, Acetylcholinesterase, ... | 著者 | Pesaresi, A, Samez, S, Lamba, D. | 登録日 | 2014-08-20 | 公開日 | 2015-09-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Novel Tacrine-Benzofuran Hybrids as Potent Multitarget-Directed Ligands for the Treatment of Alzheimer's Disease: Design, Synthesis, Biological Evaluation, and X-ray Crystallography. J.Med.Chem., 59, 2016
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9G35
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![BU of 9g35 by Molmil](/molmil-images/mine/9g35) | The HIV protease inhibitor lopinavir binding to the active site of Cryphonectria parasitica endothiapepsin | 分子名称: | 1,2-ETHANEDIOL, Endothiapepsin, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, ... | 著者 | Falke, S, Senst, J.M, Guenther, S, Meents, A. | 登録日 | 2024-07-11 | 公開日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | The HIV protease inhibitor lopinavir binding to the active site of Cryphonectria parasitica endothiapepsin To Be Published
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7ATU
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![BU of 7atu by Molmil](/molmil-images/mine/7atu) | The LIMK1 Kinase Domain Bound To LIJTF500025 | 分子名称: | (S)-2-benzyl-6-(8-chloro-5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-7-oxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridine-3-carboxamide, LIM domain kinase 1 | 著者 | Mathea, S, Chatterjee, D, Preuss, F, Yamamoto, S, Tawada, M, Nomura, I, Takagi, T, Ahmed, M, Little, W, Mueller-Knapp, S, Knapp, S. | 登録日 | 2020-10-30 | 公開日 | 2020-12-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | The LIMK1 Kinase Domain Bound To LIJTF500025 To Be Published
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5JID
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![BU of 5jid by Molmil](/molmil-images/mine/5jid) | Crystal Structure of Human Transthyretin in Complex with Perfluorooctanoic acid (PFOA) | 分子名称: | SODIUM ION, Transthyretin, pentadecafluorooctanoic acid | 著者 | Begum, A, Zhang, J, Olofsson, A, Andersson, P, Sauer-Eriksson, A.E. | 登録日 | 2016-04-22 | 公開日 | 2016-10-05 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Structure-Based Virtual Screening Protocol for in Silico Identification of Potential Thyroid Disrupting Chemicals Targeting Transthyretin. Environ. Sci. Technol., 50, 2016
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4V3Z
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![BU of 4v3z by Molmil](/molmil-images/mine/4v3z) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N-(2-(3- fluorophenyl)cyclopropylmethyl)ethan-1-amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methyl}-2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethanamine, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2014-10-20 | 公開日 | 2014-12-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.052 Å) | 主引用文献 | Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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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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5IXS
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![BU of 5ixs by Molmil](/molmil-images/mine/5ixs) | Lactate Dehydrogenase in complex with hydroxylactam inhibitor compound 9: (6R)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1H)-one | 分子名称: | (6R)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1H)-one, 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | 著者 | Ultsch, M, Eigenbrot, C. | 登録日 | 2016-03-23 | 公開日 | 2016-09-14 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Cell Active Hydroxylactam Inhibitors of Human Lactate Dehydrogenase with Oral Bioavailability in Mice. Acs Med.Chem.Lett., 7, 2016
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8H39
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![BU of 8h39 by Molmil](/molmil-images/mine/8h39) | Structure of Acb2 complexed with c-di-AMP | 分子名称: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, 1,2-ETHANEDIOL, p26 | 著者 | Feng, Y, Cao, X.L. | 登録日 | 2022-10-08 | 公開日 | 2023-02-22 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Bacteriophages inhibit and evade cGAS-like immune function in bacteria. Cell, 186, 2023
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8H2J
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![BU of 8h2j by Molmil](/molmil-images/mine/8h2j) | Structure of Acb2 complexed with 3',3'-cGAMP | 分子名称: | 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, p26 | 著者 | Feng, Y, Cao, X.L. | 登録日 | 2022-10-06 | 公開日 | 2023-02-22 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Bacteriophages inhibit and evade cGAS-like immune function in bacteria. Cell, 186, 2023
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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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7OG4
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![BU of 7og4 by Molmil](/molmil-images/mine/7og4) | Human mitochondrial ribosome in complex with P/E-tRNA | 分子名称: | 12S mitochondrial rRNA, 16S mitochondrial rRNA, 28S ribosomal protein S10, ... | 著者 | Aibara, S, Singh, V, Modelska, A, Amunts, A. | 登録日 | 2021-05-06 | 公開日 | 2021-06-23 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Structural basis of mitochondrial translation. Elife, 9, 2020
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3K1W
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![BU of 3k1w by Molmil](/molmil-images/mine/3k1w) | New Classes of Potent and Bioavailable Human Renin Inhibitors | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetylamino-2-deoxy-alpha-L-idopyranose, 4-{4-[3-(2-bromo-5-fluorophenoxy)propyl]phenyl}-N-(2-chlorobenzyl)-N-cyclopropyl-1,2,5,6-tetrahydropyridine-3-carboxamide, ... | 著者 | Prade, L. | 登録日 | 2009-09-29 | 公開日 | 2010-03-02 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | New classes of potent and bioavailable human renin inhibitors Bioorg.Med.Chem.Lett., 19, 2009
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6PCS
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![BU of 6pcs by Molmil](/molmil-images/mine/6pcs) | E. coli 50S ribosome bound to compound 40e | 分子名称: | (2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl [4-(trifluoromethyl)phenyl]carbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ... | 著者 | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | 登録日 | 2019-06-18 | 公開日 | 2020-06-17 | 最終更新日 | 2020-10-07 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Synthetic group A streptogramin antibiotics that overcome Vat resistance. Nature, 586, 2020
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