4UX6
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![BU of 4ux6 by Molmil](/molmil-images/mine/4ux6) | The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS) | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, INDUCIBLE, ... | 著者 | Cheshire, D.R, Andrews, G, Beaton, H.G, Birkinshaw, T, Boughton-Smith, N, Connolly, S, Cook, T.R, Cooper, A, Cooper, S.L, Cox, D, Dixon, J, Gensmantel, N, Hamley, P.J, Harrison, R, Hartopp, P, Kack, H, Luker, T, Mete, A, Millichip, I, Nicholls, D.J, Pimm, A.D, St-Gallay, S.A, Wallace, A.V. | 登録日 | 2014-08-19 | 公開日 | 2014-10-08 | 最終更新日 | 2018-01-17 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | The Discovery of Novel, Potent and Highly Selective Inhibitors of Inducible Nitric Oxide Synthase (Inos). Bioorg.Med.Chem.Lett., 21, 2011
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4V5I
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![BU of 4v5i by Molmil](/molmil-images/mine/4v5i) | Structure of the Phage P2 Baseplate in its Activated Conformation with Ca | 分子名称: | CALCIUM ION, ORF15, ORF16, ... | 著者 | Sciara, G, Bebeacua, C, Bron, P, Tremblay, D, Ortiz-Lombardia, M, Lichiere, J, van Heel, M, Campanacci, V, Moineau, S, Cambillau, C. | 登録日 | 2010-02-05 | 公開日 | 2014-07-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (5.464 Å) | 主引用文献 | Structure of Lactococcal Phage P2 Baseplate and its Mechanism of Activation. Proc.Natl.Acad.Sci.USA, 107, 2010
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4UVR
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![BU of 4uvr by Molmil](/molmil-images/mine/4uvr) | Binding mode, selectivity and potency of N-indolyl-oxopyridinyl-4- amino-propanyl-based inhibitors targeting Trypanosoma cruzi CYP51 | 分子名称: | Nalpha-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-fluorobenzoyl}-N-pyridin-4-yl-D-tryptophanamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-DEMETHYLASE, ... | 著者 | Vieira, D.F, Choi, J.Y, Calvet, C.M, Gut, J, Kellar, D, Siqueira-Neto, J.L, Johnston, J.B, McKerrow, J.H, Roush, W.R, Podust, L.M. | 登録日 | 2014-08-08 | 公開日 | 2014-11-26 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Binding Mode and Potency of N-Indolyl-Oxopyridinyl-4-Amino-Propanyl-Based Inhibitors Targeting Trypanosoma Cruzi Cyp51 J.Med.Chem., 57, 2014
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4V19
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![BU of 4v19 by Molmil](/molmil-images/mine/4v19) | Structure of the large subunit of the mammalian mitoribosome, part 1 of 2 | 分子名称: | MAGNESIUM ION, MITORIBOSOMAL 16S RRNA, MITORIBOSOMAL CP TRNA, ... | 著者 | Greber, B.J, Boehringer, D, Leibundgut, M, Bieri, P, Leitner, A, Schmitz, N, Aebersold, R, Ban, N. | 登録日 | 2014-09-25 | 公開日 | 2014-10-08 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | The Complete Structure of the Large Subunit of the Mammalian Mitochondrial Ribosome Nature, 515, 2014
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6YNQ
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![BU of 6ynq by Molmil](/molmil-images/mine/6ynq) | Structure of SARS-CoV-2 Main Protease bound to 2-Methyl-1-tetralone. | 分子名称: | (2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one, 3C-like proteinase, CHLORIDE ION, ... | 著者 | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | 登録日 | 2020-04-14 | 公開日 | 2020-04-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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4V6T
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![BU of 4v6t by Molmil](/molmil-images/mine/4v6t) | Structure of the bacterial ribosome complexed by tmRNA-SmpB and EF-G during translocation and MLD-loading | 分子名称: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | 著者 | Ramrath, D.J.F, Yamamoto, H, Rother, K, Wittek, D, Pech, M, Mielke, T, Loerke, J, Scheerer, P, Ivanov, P, Teraoka, Y, Shpanchenko, O, Nierhaus, K.H, Spahn, C.M.T. | 登録日 | 2012-01-27 | 公開日 | 2014-07-09 | 最終更新日 | 2024-02-28 | 実験手法 | ELECTRON MICROSCOPY (8.3 Å) | 主引用文献 | The complex of tmRNA-SmpB and EF-G on translocating ribosomes. Nature, 485, 2012
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4V5J
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![BU of 4v5j by Molmil](/molmil-images/mine/4v5j) | Structure of the 70S ribosome bound to Release factor 2 and a substrate analog provides insights into catalysis of peptide release | 分子名称: | 16S Ribosomal RNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ... | 著者 | Jin, H, Kelley, A.C, Loakes, D, Ramakrishnan, V. | 登録日 | 2010-03-24 | 公開日 | 2014-07-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Structure of the 70S ribosome bound to release factor 2 and a substrate analog provides insights into catalysis of peptide release. Proc. Natl. Acad. Sci. U.S.A., 107, 2010
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4UX9
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![BU of 4ux9 by Molmil](/molmil-images/mine/4ux9) | Crystal structure of JNK1 bound to a MKK7 docking motif | 分子名称: | DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 7, MITOGEN-ACTIVATED PROTEIN KINASE 8, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | 著者 | Kragelj, J, Palencia, A, Nanao, M.H, Maurin, D, Bouvignies, G, Blackledge, M, Ringkjobing-Jensen, M. | 登録日 | 2014-08-20 | 公開日 | 2015-03-25 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | Structure and Dynamics of the Mkk7-Jnk Signaling Complex. Proc.Natl.Acad.Sci.USA, 112, 2015
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4UYT
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![BU of 4uyt by Molmil](/molmil-images/mine/4uyt) | X-ray structure of the N-terminal domain of the flocculin Flo11 from Saccharomyces cerevisiae | 分子名称: | ACETATE ION, FLOCCULATION PROTEIN FLO11, SODIUM ION | 著者 | Kraushaar, T, Veelders, M, Brueckner, S, Rhinow, D, Moesch, H.U, Essen, L.O. | 登録日 | 2014-09-03 | 公開日 | 2015-08-12 | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | 主引用文献 | Interactions by the Fungal Flo11 Adhesin Depend on a Fibronectin Type III-Like Adhesin Domain Girdled by Aromatic Bands. Structure, 23, 2015
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4V1M
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![BU of 4v1m by Molmil](/molmil-images/mine/4v1m) | Architecture of the RNA polymerase II-Mediator core transcription initiation complex | 分子名称: | 5'-D(*AP*AP*GP*TP*AP*CP*TP*TP*GP*AP)-3', 5'-D(*CP*CP*AP*GP*GP*AP)-3', 5'-D(*TP*CP*AP*AP*GP*TP*AP*CP*TP*TP*TP*TP*TP*CP *CP*BRUP*GP*GP*TP*C)-3', ... | 著者 | Plaschka, C, Lariviere, L, Wenzeck, L, Hemann, M, Tegunov, D, Petrotchenko, E.V, Borchers, C.H, Baumeister, W, Herzog, F, Villa, E, Cramer, P. | 登録日 | 2014-09-29 | 公開日 | 2015-02-04 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (6.6 Å) | 主引用文献 | Architecture of the RNA Polymerase II-Mediator Core Initiation Complex. Nature, 518, 2015
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4V58
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![BU of 4v58 by Molmil](/molmil-images/mine/4v58) | Crystal structure of fatty acid synthase from thermomyces lanuginosus at 3.1 angstrom resolution. | 分子名称: | FATTY ACID SYNTHASE ALPHA SUBUNITS, FATTY ACID SYNTHASE BETA SUBUNITS, FLAVIN MONONUCLEOTIDE | 著者 | Jenni, S, Leibundgut, M, Boehringer, D, Frick, C, Mikolasek, B, Ban, N. | 登録日 | 2007-03-09 | 公開日 | 2014-07-09 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Structure of Fungal Fatty Acid Synthase and Implications for Iterative Substrate Shuttling Science, 316, 2007
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4UWH
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![BU of 4uwh by Molmil](/molmil-images/mine/4uwh) | Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors | 分子名称: | (8S)-9-[(2R)-2-hydroxy-2-phenylethyl]-2-(morpholin-4-yl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, SODIUM ION | 著者 | Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B. | 登録日 | 2014-08-12 | 公開日 | 2014-11-26 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors. J.Med.Chem., 58, 2015
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7QNY
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![BU of 7qny by Molmil](/molmil-images/mine/7qny) | The receptor binding domain of SARS-CoV-2 spike glycoprotein in complex with COVOX-58 and COVOX-158 Fabs | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-158 heavy chain, COVOX-158 light chain, ... | 著者 | Zhou, D, Ren, J, Stuart, D.I. | 登録日 | 2021-12-23 | 公開日 | 2022-01-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | 主引用文献 | SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses. Cell, 185, 2022
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7QNW
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![BU of 7qnw by Molmil](/molmil-images/mine/7qnw) | The receptor binding domain of SARS-CoV-2 Omicron variant spike glycoprotein in complex with Beta-55 and EY6A Fabs | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Beta-55 heavy chain, ... | 著者 | Zhou, D, Ren, J, Stuart, D.I. | 登録日 | 2021-12-23 | 公開日 | 2022-01-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses. Cell, 185, 2022
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7QNX
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![BU of 7qnx by Molmil](/molmil-images/mine/7qnx) | The receptor binding domain of SARS-CoV-2 spike glycoprotein in complex with Beta-55 and EY6A Fabs | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-55 heavy chain, Beta-55 light chain, ... | 著者 | Zhou, D, Ren, J, Stuart, D.I. | 登録日 | 2021-12-23 | 公開日 | 2022-01-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.92 Å) | 主引用文献 | SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses. Cell, 185, 2022
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6YVF
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![BU of 6yvf by Molmil](/molmil-images/mine/6yvf) | Structure of SARS-CoV-2 Main Protease bound to AZD6482. | 分子名称: | 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid, 3C-like proteinase, CALCIUM ION, ... | 著者 | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | 登録日 | 2020-04-28 | 公開日 | 2020-05-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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7ABU
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![BU of 7abu by Molmil](/molmil-images/mine/7abu) | Structure of SARS-CoV-2 Main Protease bound to RS102895 | 分子名称: | 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1~{H}-3,1-benzoxazine-4,4'-piperidine]-2-one, 3C-like proteinase, DIMETHYL SULFOXIDE, ... | 著者 | Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Lane, T.J, Dunkel, I, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | 登録日 | 2020-09-08 | 公開日 | 2020-12-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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6RAG
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![BU of 6rag by Molmil](/molmil-images/mine/6rag) | Heterodimeric ABC exporter TmrAB in inward-facing wide conformation under turnover conditions | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R. | 登録日 | 2019-04-06 | 公開日 | 2019-07-31 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | 主引用文献 | Conformation space of a heterodimeric ABC exporter under turnover conditions. Nature, 571, 2019
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6R30
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![BU of 6r30 by Molmil](/molmil-images/mine/6r30) | |
6R3G
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![BU of 6r3g by Molmil](/molmil-images/mine/6r3g) | |
6RAN
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![BU of 6ran by Molmil](/molmil-images/mine/6ran) | Heterodimeric ABC exporter TmrAB in inward-facing wide conformation | 分子名称: | Multidrug resistance ABC transporter ATP-binding and permease protein, Nanobody Nb9F10 | 著者 | Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R. | 登録日 | 2019-04-06 | 公開日 | 2019-07-31 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | 主引用文献 | Conformation space of a heterodimeric ABC exporter under turnover conditions. Nature, 571, 2019
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6RBF
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![BU of 6rbf by Molmil](/molmil-images/mine/6rbf) | Mucin 2 D3 domain | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | 著者 | Javitt, G, Fass, D. | 登録日 | 2019-04-10 | 公開日 | 2019-08-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.704 Å) | 主引用文献 | Intestinal Gel-Forming Mucins Polymerize by Disulfide-Mediated Dimerization of D3 Domains. J.Mol.Biol., 431, 2019
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6R9T
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![BU of 6r9t by Molmil](/molmil-images/mine/6r9t) | Cryo-EM structure of autoinhibited human talin-1 | 分子名称: | Talin-1 | 著者 | Dedden, D, Schumacher, S, Zacharias, M, Biertumpfel, C, Mizuno, N. | 登録日 | 2019-04-04 | 公開日 | 2019-10-16 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (6.2 Å) | 主引用文献 | The Architecture of Talin1 Reveals an Autoinhibition Mechanism. Cell, 179, 2019
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6RAJ
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![BU of 6raj by Molmil](/molmil-images/mine/6raj) | Heterodimeric ABC exporter TmrAB in vanadate trapped outward-facing open conformation | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, ADP ORTHOVANADATE, MAGNESIUM ION, ... | 著者 | Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R. | 登録日 | 2019-04-06 | 公開日 | 2019-07-31 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Conformation space of a heterodimeric ABC exporter under turnover conditions. Nature, 571, 2019
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6R3N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r3n by Molmil](/molmil-images/mine/6r3n) | |