4XLQ
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4P20
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![BU of 4p20 by Molmil](/molmil-images/mine/4p20) | Crystal structures of the bacterial ribosomal decoding site complexed with amikacin | 分子名称: | (2S)-N-[(1R,2S,3S,4R,5S)-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-azanyl-2-[(2S,3R,4S,5S ,6R)-4-azanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-4-azanyl-2-oxidanyl-butanamide, 5'-R(*UP*UP*GP*CP*GP*UP*CP*AP*CP*AP*CP*CP*GP*GP*UP*GP*AP*AP*GP*UP*CP*GP*C)-3' | 著者 | Kondo, J, Francois, B, Russell, R.J.M, Murray, J.B, Westhof, E. | 登録日 | 2014-02-28 | 公開日 | 2014-05-07 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Crystal structure of the bacterial ribosomal decoding site complexed with amikacin containing the gamma-amino-alpha-hydroxybutyryl (haba) group. Biochimie, 88, 2006
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4XSZ
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![BU of 4xsz by Molmil](/molmil-images/mine/4xsz) | Crystal structure of CBR 9393 bound to Escherichia coli RNA polymerase holoenzyme | 分子名称: | 4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[2-(piperazin-1-yl)ethyl]-2-(trifluoromethyl)aniline, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | 著者 | Bae, B, Darst, S.A. | 登録日 | 2015-01-22 | 公開日 | 2015-07-22 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.683 Å) | 主引用文献 | CBR antimicrobials inhibit RNA polymerase via at least two bridge-helix cap-mediated effects on nucleotide addition. Proc.Natl.Acad.Sci.USA, 112, 2015
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4XNW
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![BU of 4xnw by Molmil](/molmil-images/mine/4xnw) | The human P2Y1 receptor in complex with MRS2500 | 分子名称: | P2Y purinoceptor 1,Rubredoxin,P2Y purinoceptor 1, ZINC ION, [(1R,2S,4S,5S)-4-[2-iodo-6-(methylamino)-9H-purin-9-yl]-2-(phosphonooxy)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate | 著者 | Zhang, D, Gao, Z, Jacobson, K, Han, G.W, Stevens, R, Zhao, Q, Wu, B, GPCR Network (GPCR) | 登録日 | 2015-01-16 | 公開日 | 2015-04-01 | 最終更新日 | 2020-02-05 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Two disparate ligand-binding sites in the human P2Y1 receptor Nature, 520, 2015
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8AB1
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![BU of 8ab1 by Molmil](/molmil-images/mine/8ab1) | Crystal structure of the PulL-PulM C-terminal domain heterocomplex | 分子名称: | Type II secretion system protein L, Type II secretion system protein M | 著者 | Dazzoni, R, Li, Y, Lopez-Castilla, A, Brier, S, Mechaly, A, Cordier, F, Haouz, A, Nilges, M, Francetic, O, Bardiaux, B, Izadi-Pruneyre, N. | 登録日 | 2022-07-04 | 公開日 | 2023-01-11 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | 主引用文献 | Structure and dynamic association of an assembly platform subcomplex of the bacterial type II secretion system. Structure, 31, 2023
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4XOG
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6VB1
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![BU of 6vb1 by Molmil](/molmil-images/mine/6vb1) | HLA-B*15:02 complexed with a synthetic peptide | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | 著者 | Schutte, R.J, Li, D, Andring, J, McKenna, R, Ostrov, D.A. | 登録日 | 2019-12-18 | 公開日 | 2020-11-25 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | HLA-B*15:02 complexed with a synthetic peptide To Be Published
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6VB7
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6VBI
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![BU of 6vbi by Molmil](/molmil-images/mine/6vbi) | crystal structure of PDE5 in complex with a non-competitive inhibitor | 分子名称: | (13bS)-4,9-dimethoxy-14-methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one, cGMP-specific 3',5'-cyclic phosphodiesterase | 著者 | Ke, H, Luo, H.B. | 登録日 | 2019-12-18 | 公開日 | 2021-01-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.30000758 Å) | 主引用文献 | Identification of a novel allosteric pocket and its regulation mechanism To Be Published
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1B0A
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![BU of 1b0a by Molmil](/molmil-images/mine/1b0a) | 5,10, METHYLENE-TETRAHYDROPHOLATE DEHYDROGENASE/CYCLOHYDROLASE FROM E COLI. | 分子名称: | PROTEIN (FOLD BIFUNCTIONAL PROTEIN) | 著者 | Shen, B.W, Dyer, D, Huang, J.-Y, D'Ari, L, Rabinowitz, J, Stoddard, B.L. | 登録日 | 1998-11-06 | 公開日 | 1999-06-29 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | 主引用文献 | The crystal structure of a bacterial, bifunctional 5,10 methylene-tetrahydrofolate dehydrogenase/cyclohydrolase. Protein Sci., 8, 1999
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4XTX
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![BU of 4xtx by Molmil](/molmil-images/mine/4xtx) | Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 57 with azide in place of ribose 2'OH | 分子名称: | 1,2-ETHANEDIOL, 9-[2-azido-2-deoxy-5-O-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)-beta-D-arabinofuranosyl]-9H-purin-6-amine, Bifunctional ligase/repressor BirA | 著者 | De la Mora-Rey, T, Finzel, B.C. | 登録日 | 2015-01-24 | 公開日 | 2015-09-02 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.30010319 Å) | 主引用文献 | Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors. J.Med.Chem., 58, 2015
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6MVN
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![BU of 6mvn by Molmil](/molmil-images/mine/6mvn) | LasR LBD L130F:3OC10HSL complex | 分子名称: | 3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide, Transcriptional regulator LasR | 著者 | Bassler, B.L, Paczkowski, J.E. | 登録日 | 2018-10-26 | 公開日 | 2019-01-16 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural determinants driving homoserine lactone ligand selection in thePseudomonas aeruginosaLasR quorum-sensing receptor. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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8TBV
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![BU of 8tbv by Molmil](/molmil-images/mine/8tbv) | Human Class I MHC HLA-A2 in complex with sorting nexin 24 (127-135) neoantigen KLSHQLVLL | 分子名称: | Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Arbuiso, A, Weiss, L.I, Brambley, C.A, Ma, J, Keller, G.L.J, Ayres, C.M, Baker, B.M. | 登録日 | 2023-06-29 | 公開日 | 2024-01-17 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | 主引用文献 | Accurate modeling of peptide-MHC structures with AlphaFold. Structure, 32, 2024
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6MWL
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![BU of 6mwl by Molmil](/molmil-images/mine/6mwl) | LasR LBD:mBTL complex | 分子名称: | 4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide, Transcriptional regulator LasR | 著者 | Bassler, B.L, Paczkowski, J.E. | 登録日 | 2018-10-29 | 公開日 | 2019-04-03 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | An Autoinducer Analogue Reveals an Alternative Mode of Ligand Binding for the LasR Quorum-Sensing Receptor. Acs Chem.Biol., 14, 2019
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6MWZ
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![BU of 6mwz by Molmil](/molmil-images/mine/6mwz) | LasR LBD T75V/Y93F/A127W:BB0126 | 分子名称: | 4-[3-(methylsulfonyl)phenoxy]-N-[(1S,3S,5S)-2-oxobicyclo[3.1.0]hexan-3-yl]butanamide, ALA-HIS-HIS-HIS-HIS-ALA, Transcriptional regulator LasR | 著者 | Bassler, B.L, Paczkowski, J.E. | 登録日 | 2018-10-30 | 公開日 | 2019-04-03 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.657 Å) | 主引用文献 | An Autoinducer Analogue Reveals an Alternative Mode of Ligand Binding for the LasR Quorum-Sensing Receptor. Acs Chem.Biol., 14, 2019
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8G32
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![BU of 8g32 by Molmil](/molmil-images/mine/8g32) | Pro-form of a CDCL short from E. anophelis | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | 著者 | Johnstone, B.A, Christie, M.P, Morton, C.J, Parker, M.W. | 登録日 | 2023-02-06 | 公開日 | 2024-02-07 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Distant relatives of a eukaryotic cell-specific toxin family evolved a complement-like mechanism to kill bacteria. Nat Commun, 15, 2024
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8G71
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![BU of 8g71 by Molmil](/molmil-images/mine/8g71) | Spike/Nb2 complex with 1 RBD up | 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, Spike glycoprotein | 著者 | Ye, G, Bu, F, Liu, B, Li, F. | 登録日 | 2023-02-16 | 公開日 | 2024-02-21 | 実験手法 | ELECTRON MICROSCOPY (2.1 Å) | 主引用文献 | SARS-CoV-2 spike/Nb2 complex with 1 RBD up To Be Published
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7LHZ
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![BU of 7lhz by Molmil](/molmil-images/mine/7lhz) | K. pneumoniae Topoisomerase IV (ParE-ParC) in complex with DNA and (3S)-10-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-9-fluoro-3-methyl-5-oxo-2,3-dihydro-5H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid (compound 25) | 分子名称: | (3S)-10-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-9-fluoro-3-methyl-5-oxo-2,3-dihydro-5H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*GP*AP*TP*CP*AP*TP*AP*CP*AP*AP*CP*GP*TP*AP*A)-3'), ... | 著者 | Noeske, J, Shu, W, Bellamacina, C. | 登録日 | 2021-01-26 | 公開日 | 2021-05-12 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Discovery and Optimization of DNA Gyrase and Topoisomerase IV Inhibitors with Potent Activity against Fluoroquinolone-Resistant Gram-Positive Bacteria. J.Med.Chem., 64, 2021
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6MZC
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![BU of 6mzc by Molmil](/molmil-images/mine/6mzc) | Human TFIID BC core | 分子名称: | Transcription initiation factor TFIID subunit 10, Transcription initiation factor TFIID subunit 12, Transcription initiation factor TFIID subunit 2, ... | 著者 | Patel, A.B, Louder, R.K, Greber, B.J, Grunberg, S, Luo, J, Fang, J, Liu, Y, Ranish, J, Hahn, S, Nogales, E. | 登録日 | 2018-11-05 | 公開日 | 2018-11-28 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | 主引用文献 | Structure of human TFIID and mechanism of TBP loading onto promoter DNA. Science, 362, 2018
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8E52
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![BU of 8e52 by Molmil](/molmil-images/mine/8e52) | MicroED structure of proteinase K recorded on K2 | 分子名称: | CALCIUM ION, Proteinase K | 著者 | Clabbers, M.T.B, Martynowycz, M.W, Hattne, J, Nannenga, B.L, Gonen, T. | 登録日 | 2022-08-19 | 公開日 | 2022-09-21 | 最終更新日 | 2022-10-19 | 実験手法 | ELECTRON CRYSTALLOGRAPHY (2.8 Å) | 主引用文献 | Electron-counting MicroED data with the K2 and K3 direct electron detectors. J.Struct.Biol., 214, 2022
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4XIO
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4XJU
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![BU of 4xju by Molmil](/molmil-images/mine/4xju) | Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 4-acetamido-2-fluoro-3-hydroxy-6-[1,2-dihydroxyethyl]-7,8-dioxabicyclo[3.2.1]octane-1-carboxylic acid | 分子名称: | (1R,2R,3R,4R,5R,7R)-2-(acetylamino)-7-[(1R)-1,2-dihydroxyethyl]-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... | 著者 | Brear, P. | 登録日 | 2015-01-09 | 公開日 | 2016-01-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | `The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB To be published
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8E54
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![BU of 8e54 by Molmil](/molmil-images/mine/8e54) | MicroED structure of triclinic lysozyme recorded on K3 | 分子名称: | Lysozyme C, NITRATE ION | 著者 | Clabbers, M.T.B, Martynowycz, M.W, Hattne, J, Nannenga, B.L, Gonen, T. | 登録日 | 2022-08-19 | 公開日 | 2022-09-21 | 最終更新日 | 2022-10-19 | 実験手法 | ELECTRON CRYSTALLOGRAPHY (1.2 Å) | 主引用文献 | Electron-counting MicroED data with the K2 and K3 direct electron detectors. J.Struct.Biol., 214, 2022
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1OW0
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![BU of 1ow0 by Molmil](/molmil-images/mine/1ow0) | Crystal structure of human FcaRI bound to IgA1-Fc | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Ig alpha-1 chain C region, Immunoglobulin alpha Fc receptor, ... | 著者 | Herr, A.B, Ballister, E.R, Bjorkman, P.J. | 登録日 | 2003-03-27 | 公開日 | 2003-05-27 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Insights into IgA-mediated immune responses from the crystal structures of human Fc-alpha-RI and its complex with IgA1-Fc Nature, 423, 2003
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8GPY
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![BU of 8gpy by Molmil](/molmil-images/mine/8gpy) | Crystal structure of Omicron BA.4/5 RBD in complex with a neutralizing antibody scFv | 分子名称: | Spike protein S1, scFv | 著者 | Gao, Y.X, Song, Z.D, Wang, W.M, Guo, Y. | 登録日 | 2022-08-27 | 公開日 | 2023-06-28 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
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