4U25
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![BU of 4u25 by Molmil](/molmil-images/mine/4u25) | Crystal structure of the E. coli ribosome bound to virginiamycin M1. | 分子名称: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | 著者 | Noeske, J, Huang, J, Olivier, N.B, Giacobbe, R.A, Zambrowski, M, Cate, J.H.D. | 登録日 | 2014-07-16 | 公開日 | 2014-07-30 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Synergy of streptogramin antibiotics occurs independently of their effects on translation. Antimicrob.Agents Chemother., 58, 2014
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5D6P
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![BU of 5d6p by Molmil](/molmil-images/mine/5d6p) | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-[4-(hydroxymethyl)-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]urea, DNA gyrase subunit B, ... | 著者 | Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C. | 登録日 | 2015-08-12 | 公開日 | 2015-11-25 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors. J.Med.Chem., 58, 2015
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6HZU
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![BU of 6hzu by Molmil](/molmil-images/mine/6hzu) | HUMAN JAK1 IN COMPLEX WITH LASW1393 | 分子名称: | 2-[4-[8-oxidanylidene-2-[(~{E})-(2-oxidanylidenepyridin-3-ylidene)amino]-7~{H}-purin-9-yl]cyclohexyl]ethanenitrile, Tyrosine-protein kinase JAK1 | 著者 | Lozoya, E, Segarra, V, Bach, J, Jestel, A, Lammens, A, Blaesse, M. | 登録日 | 2018-10-24 | 公開日 | 2019-10-23 | 最終更新日 | 2019-11-06 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Identification of 2-Imidazopyridine and 2-Aminopyridone Purinones as Potent Pan-Janus Kinase (JAK) Inhibitors for the Inhaled Treatment of Respiratory Diseases. J.Med.Chem., 62, 2019
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4UJD
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![BU of 4ujd by Molmil](/molmil-images/mine/4ujd) | mammalian 80S HCV-IRES initiation complex with eIF5B PRE-like state | 分子名称: | 18S Ribosomal RNA, 28S Ribosomal RNA, 40S RIBOSOMAL PROTEIN ES1, ... | 著者 | Yamamoto, H, Unbehaun, A, Loerke, J, Behrmann, E, Marianne, C, Burger, J, Mielke, T, Spahn, C.M.T. | 登録日 | 2014-06-18 | 公開日 | 2014-07-30 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (8.9 Å) | 主引用文献 | Structure of the Mammalian 80S Initiation Complex with Eif5B on Hcv Ires Nat.Struct.Mol.Biol., 21, 2014
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7ZUB
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![BU of 7zub by Molmil](/molmil-images/mine/7zub) | Cryo-EM structure of the indirubin-bound Hsp90-XAP2-AHR complex | 分子名称: | (3~{Z})-3-(3-oxidanylidene-1~{H}-indol-2-ylidene)-1~{H}-indol-2-one, ADENOSINE-5'-DIPHOSPHATE, AH receptor-interacting protein, ... | 著者 | Gruszczyk, J, Savva, C.G, Lai-Kee-Him, J, Bous, J, Ancelin, A, Kwong, H.S, Grandvuillemin, L, Bourguet, W. | 登録日 | 2022-05-12 | 公開日 | 2022-11-23 | 最終更新日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (2.85 Å) | 主引用文献 | Cryo-EM structure of the agonist-bound Hsp90-XAP2-AHR cytosolic complex. Nat Commun, 13, 2022
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4UCV
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![BU of 4ucv by Molmil](/molmil-images/mine/4ucv) | Fragment bound to H.influenza NAD dependent DNA ligase | 分子名称: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-methoxy-2,3-dimethylquinoxalin-5-ol, DNA LIGASE | 著者 | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | 登録日 | 2014-12-04 | 公開日 | 2015-10-14 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors Tetrahedron Lett., 56, 2015
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4UNK
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![BU of 4unk by Molmil](/molmil-images/mine/4unk) | Crystal structure of human triosephosphate isomerase (mutant N15D) | 分子名称: | TRIOSEPHOSPHATE ISOMERASE | 著者 | DeLaMora-DeLaMora, I, Torres-Larios, A, Enriquez-Flores, S, Mendez, S.T, Castillo-Villanueva, A, Gomez-Manzo, S, Lopez-Velazquez, G, Marcial-Quino, J, Torres-Arroyo, A, Garcia-Torres, I, Reyes-Vivas, H, Oria-Hernandez, J. | 登録日 | 2014-05-29 | 公開日 | 2015-02-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal Structure of Human Triosephosphate Isomerase (Mutant N15D) To be Published
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4UOK
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![BU of 4uok by Molmil](/molmil-images/mine/4uok) | Electron Cryo-microscopy of Venezuelan Equine Encephalitis Virus TC-83 in complex with neutralizing antibody Fab 3B4C-4 | 分子名称: | FAB FRAGMENT HEAVY CHAIN, FAB FRAGMENT LIGHT CHAIN | 著者 | Porta, J, Jose, J, Roehrig, J.T, Blair, C.D, Kuhn, R.J, Rossmann, M.G. | 登録日 | 2014-06-04 | 公開日 | 2014-09-17 | 最終更新日 | 2019-05-29 | 実験手法 | ELECTRON MICROSCOPY (18 Å) | 主引用文献 | Locking and blocking the viral landscape of an alphavirus with neutralizing antibodies. J.Virol., 88, 2014
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4UQ6
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![BU of 4uq6 by Molmil](/molmil-images/mine/4uq6) | Electron density map of GluA2em in complex with LY451646 and glutamate | 分子名称: | GLUTAMATE RECEPTOR 2, GLUTAMIC ACID | 著者 | Meyerson, J.R, Kumar, J, Chittori, S, Rao, P, Pierson, J, Bartesaghi, A, Mayer, M.L, Subramaniam, S. | 登録日 | 2014-06-20 | 公開日 | 2014-08-13 | 最終更新日 | 2017-08-02 | 実験手法 | ELECTRON MICROSCOPY (12.8 Å) | 主引用文献 | Structural Mechanism of Glutamate Receptor Activation and Desensitization Nature, 514, 2014
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4UJC
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![BU of 4ujc by Molmil](/molmil-images/mine/4ujc) | mammalian 80S HCV-IRES initiation complex with eIF5B POST-like state | 分子名称: | 18S RIBOSOMAL RNA, 28S RIBOSOMAL RNA, 40S RIBOSOMAL PROTEIN ES1, ... | 著者 | Yamamoto, H, Unbehaun, A, Loerke, J, Behrmann, E, Marianne, C, Burger, J, Mielke, T, Spahn, C.M.T. | 登録日 | 2014-06-18 | 公開日 | 2014-07-30 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (9.5 Å) | 主引用文献 | Structure of the Mammalian 80S Initiation Complex with Initiation Factor 5B on Hcv-Ires RNA. Nat.Struct.Mol.Biol., 21, 2014
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2CLS
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![BU of 2cls by Molmil](/molmil-images/mine/2cls) | The crystal structure of the human RND1 GTPase in the active GTP bound state | 分子名称: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RHO-RELATED GTP-BINDING PROTEIN RHO6 | 著者 | Pike, A.C.W, Yang, X, Colebrook, S, Gileadi, O, Sobott, F, Bray, J, Wen Hwa, L, Marsden, B, Zhao, Y, Schoch, G, Elkins, J, Debreczeni, J.E, Turnbull, A.P, von Delft, F, Arrowsmith, C, Edwards, A, Weigelt, J, Sundstrom, M, Doyle, D. | 登録日 | 2006-04-28 | 公開日 | 2006-05-04 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | The Crystal Structure of the Human Rnd1 Gtpase in the Active GTP Bound State To be Published
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4UNL
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![BU of 4unl by Molmil](/molmil-images/mine/4unl) | Crystal structure of a single mutant (N71D) of triosephosphate isomerase from human | 分子名称: | TRIOSEPHOSPHATE ISOMERASE | 著者 | DeLaMora-DeLaMora, I, Torres-Larios, A, Enriquez-Flores, S, Mendez, S.T, Castillo-Villanueva, A, Gomez-Manzo, S, Lopez-Velazquez, G, Marcial-Quino, J, Torres-Arroyo, A, Garcia-Torres, I, Reyes-Vivas, H, Oria-Hernandez, J. | 登録日 | 2014-05-29 | 公開日 | 2015-02-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Crystal Structure of a Single Mutant (N71D) of Triosephosphate Isomerase from Human To be Published
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4UQ8
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![BU of 4uq8 by Molmil](/molmil-images/mine/4uq8) | Electron cryo-microscopy of bovine Complex I | 分子名称: | ACYL CARRIER PROTEIN, MITOCHONDRIAL, FE2/S2 (INORGANIC) CLUSTER, ... | 著者 | Vinothkumar, K.R, Zhu, J, Hirst, J. | 登録日 | 2014-06-21 | 公開日 | 2014-10-01 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (4.95 Å) | 主引用文献 | Architecture of Mammalian Respiratory Complex I. Nature, 515, 2014
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4UOU
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![BU of 4uou by Molmil](/molmil-images/mine/4uou) | Crystal Structure of Fucose binding lectin from Aspergillus Fumigatus (AFL) - apo-form | 分子名称: | DI(HYDROXYETHYL)ETHER, FUCOSE-SPECIFIC LECTIN FLEA | 著者 | Houser, J, Komarek, J, Cioci, G, Varrot, A, Imberty, A, Wimmerova, M. | 登録日 | 2014-06-10 | 公開日 | 2015-03-11 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural Insights Into Aspergillus Fumigatus Lectin Specificity: Afl Binding Sites are Functionally Non-Equivalent. Acta Crystallogr.,Sect.D, 71, 2015
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7M2N
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![BU of 7m2n by Molmil](/molmil-images/mine/7m2n) | Crystal structure of Human Lactate Dehydrogenase A with Inhibitor Compound 15 | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 5-[(5'-{1-(4-carboxy-1,3-thiazol-2-yl)-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-3-yl}-2'-fluoro[1,1'-biphenyl]-4-yl)oxy]-1H-1,2,3-triazole-4-carboxylic acid, ... | 著者 | Gumpena, R, Ding, J, Powell, D.A, Lowther, W.T. | 登録日 | 2021-03-17 | 公開日 | 2021-07-14 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Dual Glycolate Oxidase/Lactate Dehydrogenase A Inhibitors for Primary Hyperoxaluria ACS Medicinal Chemistry Letters, 12, 2021
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7M2O
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![BU of 7m2o by Molmil](/molmil-images/mine/7m2o) | Crystal structure of Human Glycolate Oxidase with Inhibitor Compound 15 | 分子名称: | 1,2-ETHANEDIOL, 5-[(5'-{1-(4-carboxy-1,3-thiazol-2-yl)-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-3-yl}-2'-fluoro[1,1'-biphenyl]-4-yl)oxy]-1H-1,2,3-triazole-4-carboxylic acid, DI(HYDROXYETHYL)ETHER, ... | 著者 | Gumpena, R, Ding, J, Powell, D.A, Lowther, W.T. | 登録日 | 2021-03-17 | 公開日 | 2021-07-14 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Dual Glycolate Oxidase/Lactate Dehydrogenase A Inhibitors for Primary Hyperoxaluria ACS Medicinal Chemistry Letters, 12, 2021
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5EGM
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![BU of 5egm by Molmil](/molmil-images/mine/5egm) | Development of a novel tricyclic class of potent and selective FIXa inhibitors | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-chloranyl-~{N}-[(7~{S})-2-methyl-7-phenyl-10-(1~{H}-1,2,3,4-tetrazol-5-yl)-8,9-dihydro-6~{H}-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide, Coagulation factor IX, ... | 著者 | Meng, D, Andre, P, Bateman, T.J, Berger, R, Chen, Y, Desai, K, Dewnani, S, Ellsworth, K, Feng, D, Geissler, W.M, Guo, L, Hruza, A, Jian, T, Li, H, Parker, D.L, Reichert, P, Sherer, E.C, Smith, C.J, Sonatore, L.M, Tschirret-Guth, R, Wu, J, Xu, J, Zhang, T, Campeau, L, Orr, R, Poirier, M, McCabe-Dunn, j, Araki, K, Nishimura, T, Sakurada, I, Hirabayashi, T, Wood, H.B. | 登録日 | 2015-10-27 | 公開日 | 2015-11-18 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.841 Å) | 主引用文献 | Development of a novel tricyclic class of potent and selective FIXa inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
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8AVP
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5EH0
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![BU of 5eh0 by Molmil](/molmil-images/mine/5eh0) | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach | 分子名称: | DIMETHYL SULFOXIDE, Dual specificity protein kinase TTK, N2-(2-Methoxy-4-(1-methyl-1H-pyrazol-4-yl)phenyl)-N8-neopentylpyrido[3,4-d]pyrimidine-2,8-diamine | 著者 | Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S. | 登録日 | 2015-10-27 | 公開日 | 2016-04-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach. J.Med.Chem., 59, 2016
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5EDS
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![BU of 5eds by Molmil](/molmil-images/mine/5eds) | Crystal structure of human PI3K-gamma in complex with benzimidazole inhibitor 5 | 分子名称: | 4-azanyl-6-[[(1~{S})-1-[6-fluoranyl-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | 著者 | Whittington, D.A, Tang, J, Yakowec, P. | 登録日 | 2015-10-21 | 公開日 | 2015-12-30 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Discovery, Optimization, and in Vivo Evaluation of Benzimidazole Derivatives AM-8508 and AM-9635 as Potent and Selective PI3K delta Inhibitors. J.Med.Chem., 59, 2016
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5EI2
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![BU of 5ei2 by Molmil](/molmil-images/mine/5ei2) | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach | 分子名称: | Dual specificity protein kinase TTK, ~{N}-(2,4-dimethoxyphenyl)-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine | 著者 | Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S. | 登録日 | 2015-10-29 | 公開日 | 2016-04-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | 主引用文献 | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach. J.Med.Chem., 59, 2016
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4U20
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![BU of 4u20 by Molmil](/molmil-images/mine/4u20) | Crystal structure of the E. coli ribosome bound to flopristin. | 分子名称: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | 著者 | Noeske, J, Huang, J, Olivier, N.B, Giacobbe, R.A, Zambrowski, M, Cate, J.H.D. | 登録日 | 2014-07-16 | 公開日 | 2014-07-30 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Synergy of streptogramin antibiotics occurs independently of their effects on translation. Antimicrob.Agents Chemother., 58, 2014
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4U0R
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![BU of 4u0r by Molmil](/molmil-images/mine/4u0r) | Plasmodium falciparum reticulocyte-binding protein homologue 5 (PfRH5) bound to monoclonal antibody 9AD4 | 分子名称: | Monoclonal antibody 9AD4 heavy chain, Monoclonal antibody 9AD4 light chain, Reticulocyte binding protein 5 | 著者 | Wright, K.E, Hjerrild, K.A, Bartlett, J, Douglas, A.D, Jin, J, Brown, R.E, Ashfield, R, Clemmensen, S.B, de Jongh, W.A, Draper, S.J, Higgins, M.K. | 登録日 | 2014-07-14 | 公開日 | 2014-08-13 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure of malaria invasion protein RH5 with erythrocyte basigin and blocking antibodies. Nature, 515, 2014
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5IZ9
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![BU of 5iz9 by Molmil](/molmil-images/mine/5iz9) | Protein-protein interaction | 分子名称: | ACE-GLY-GLY-GLU-ALA-LEU-ALA-ASP-NH2, Adenomatous polyposis coli protein | 著者 | Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J. | 登録日 | 2016-03-25 | 公開日 | 2017-07-05 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.93 Å) | 主引用文献 | Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration. Nat. Chem. Biol., 13, 2017
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4U1U
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![BU of 4u1u by Molmil](/molmil-images/mine/4u1u) | Crystal structure of the E. coli ribosome bound to quinupristin. | 分子名称: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | 著者 | Noeske, J, Huang, J, Olivier, N.B, Giacobbe, R.A, Zambrowski, M, Cate, J.H.D. | 登録日 | 2014-07-16 | 公開日 | 2014-07-30 | 最終更新日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Synergy of streptogramin antibiotics occurs independently of their effects on translation. Antimicrob.Agents Chemother., 58, 2014
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