1M46
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4USM
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![BU of 4usm by Molmil](/molmil-images/mine/4usm) | WcbL complex with glycerol bound to sugar site | Descriptor: | CHLORIDE ION, GLYCEROL, PUTATIVE SUGAR KINASE | Authors: | Vivoli, M, Isupov, M.N, Nicholas, R, Hill, A, Scott, A, Kosma, P, Prior, J, Harmer, N.J. | Deposit date: | 2014-07-10 | Release date: | 2016-01-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Unraveling the B.Pseudomallei Heptokinase Wcbl: From Structure to Drug Discovery. Chem.Biol., 22, 2015
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4UX8
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![BU of 4ux8 by Molmil](/molmil-images/mine/4ux8) | RET recognition of GDNF-GFRalpha1 ligand by a composite binding site promotes membrane-proximal self-association | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GDNF FAMILY RECEPTOR ALPHA-1, ... | Authors: | Goodman, K, Kjaer, S, Beuron, F, Knowles, P, Nawrotek, A, Burns, E, Purkiss, A, George, R, Santoro, M, Morris, E.P, McDonald, N.Q. | Deposit date: | 2014-08-19 | Release date: | 2014-10-01 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (24 Å) | Cite: | Ret Recognition of Gdnf-Gfralpha1 Ligand by a Composite Binding Site Promotes Membrane-Proximal Self-Association. Cell Rep., 8, 2014
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4W1V
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![BU of 4w1v by Molmil](/molmil-images/mine/4w1v) | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a thiazole inhibitor | Descriptor: | 1,2-ETHANEDIOL, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, CHLORIDE ION, ... | Authors: | Finzel, B.C, Dai, R. | Deposit date: | 2014-08-13 | Release date: | 2015-02-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Target-Based Identification of Whole-Cell Active Inhibitors of Biotin Biosynthesis in Mycobacterium tuberculosis. Chem.Biol., 22, 2015
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4WBR
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7QVK
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![BU of 7qvk by Molmil](/molmil-images/mine/7qvk) | NM-02 in complex with HER2-ECD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, NM-02, Receptor tyrosine-protein kinase erbB-2, ... | Authors: | Cowan, R, Hall, G, Carr, M. | Deposit date: | 2022-01-21 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Co-crystallisation and humanisation of an anti-HER2 single-domain antibody as a theranostic tool. Plos One, 18, 2023
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4UWF
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![BU of 4uwf by Molmil](/molmil-images/mine/4uwf) | 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 | Descriptor: | (8S)-9-[3,5-bis(fluoranyl)phenyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3 | Authors: | 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. | Deposit date: | 2014-08-12 | Release date: | 2014-11-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxobutyl)-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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2XYS
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![BU of 2xys by Molmil](/molmil-images/mine/2xys) | Crystal structure of Aplysia californica AChBP in complex with strychnine | Descriptor: | SOLUBLE ACETYLCHOLINE RECEPTOR, STRYCHNINE | Authors: | Brams, M, Pandya, A, Kuzmin, D, van Elk, R, Krijnen, L, Yakel, J.L, Tsetlin, V, Smit, A.B, Ulens, C. | Deposit date: | 2010-11-19 | Release date: | 2011-03-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.909 Å) | Cite: | A Structural and Mutagenic Blueprint for Molecular Recognition of Strychnine and D-Tubocurarine by Different Cys-Loop Receptors. Plos Biol., 9, 2011
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4W4V
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![BU of 4w4v by Molmil](/molmil-images/mine/4w4v) | JNK2/3 in complex with 3-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide | Descriptor: | 3-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide, c-Jun N-terminal kinase 3 | Authors: | Park, H, Iqbal, S, Hernandez, P, Mora, R, Zheng, K, Feng, Y, LoGrasso, P. | Deposit date: | 2014-08-15 | Release date: | 2015-02-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural Basis and Biological Consequences for JNK2/3 Isoform Selective Aminopyrazoles. Sci Rep, 5, 2015
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4W4Y
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![BU of 4w4y by Molmil](/molmil-images/mine/4w4y) | JNK2/3 in complex with 3-(4-{[(4-methylphenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide | Descriptor: | 3-(4-{[(4-methylphenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide, c-jun NH2-terminal kinase 3 | Authors: | Park, H, Iqbal, S, Hernandez, P, Mora, R, Zheng, K, Feng, Y, LoGrasso, P. | Deposit date: | 2014-08-15 | Release date: | 2015-02-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis and Biological Consequences for JNK2/3 Isoform Selective Aminopyrazoles. Sci Rep, 5, 2015
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4V0U
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![BU of 4v0u by Molmil](/molmil-images/mine/4v0u) | The crystal structure of ternary PP1G-PPP1R15B and G-actin complex | Descriptor: | ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Chen, R, Yan, Y, Casado, A.C, Ron, D, Read, R.J. | Deposit date: | 2014-09-18 | Release date: | 2015-03-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (7.88 Å) | Cite: | G-actin provides substrate-specificity to eukaryotic initiation factor 2 alpha holophosphatases. Elife, 4, 2015
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4V8Q
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![BU of 4v8q by Molmil](/molmil-images/mine/4v8q) | Complex of SmpB, a tmRNA fragment and EF-Tu-GDP-Kirromycin with the 70S ribosome | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S RIBOSOMAL PROTEIN S10, ... | Authors: | Neubauer, C, Gillet, R, Kelley, A.C, Ramakrishnan, V. | Deposit date: | 2011-12-10 | Release date: | 2014-07-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Decoding in the absence of a codon by tmRNA and SmpB in the ribosome. Science, 335, 2012
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4UT0
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![BU of 4ut0 by Molmil](/molmil-images/mine/4ut0) | THE CRYSTAL STRUCTURE OF I-DMOI IN COMPLEX WITH ITS TARGET DNA AT 10 DAYS INCUBATION IN 5MM MN (STATE 7) | Descriptor: | 5'-D(*CP*CP*GP*GP*CP*AP*AP*GP*GP*CP)-3', 5'-D(*CP*GP*CP*GP*CP*CP*GP*GP*AP*AP*CP*TP*TP*AP*CP)-3', 5'-D(*GP*CP*CP*TP*TP*GP*CP*CP*GP*GP*GP*TP*AP*AP)-3', ... | Authors: | Molina, R, Stella, S, Redondo, P, Gomez, H, Marcaida, M.J, Orozco, M, Prieto, J, Montoya, G. | Deposit date: | 2014-07-17 | Release date: | 2014-12-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Visualizing Phosphodiester-Bond Hydrolysis by an Endonuclease. Nat.Struct.Mol.Biol., 22, 2015
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4UWG
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![BU of 4uwg by Molmil](/molmil-images/mine/4uwg) | 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 | Descriptor: | (8S)-2-(morpholin-4-yl)-9-[2-(propan-2-yloxy)ethyl]-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, SULFATE ION | Authors: | 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. | Deposit date: | 2014-08-12 | Release date: | 2014-11-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxobutyl)-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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2XYT
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![BU of 2xyt by Molmil](/molmil-images/mine/2xyt) | Crystal structure of Aplysia californica AChBP in complex with d- tubocurarine | Descriptor: | D-TUBOCURARINE, SOLUBLE ACETYLCHOLINE RECEPTOR | Authors: | Brams, M, Pandya, A, Kuzmin, D, van Elk, R, Krijnen, L, Yakel, J.L, Tsetlin, V, Smit, A.B, Ulens, C. | Deposit date: | 2010-11-19 | Release date: | 2011-03-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | A Structural and Mutagenic Blueprint for Molecular Recognition of Strychnine and D-Tubocurarine by Different Cys-Loop Receptors. Plos Biol., 9, 2011
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7QGV
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![BU of 7qgv by Molmil](/molmil-images/mine/7qgv) | Solid-state NMR structure of Teixobactin-Lipid II. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-alpha-muramic acid, 3-methylbut-2-en-1-ol, Lipid II, ... | Authors: | Weingarth, M.H, Shukla, R. | Deposit date: | 2021-12-10 | Release date: | 2022-08-03 | Last modified: | 2023-11-15 | Method: | SOLID-STATE NMR | Cite: | Teixobactin kills bacteria by a two-pronged attack on the cell envelope. Nature, 608, 2022
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4V6S
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![BU of 4v6s by Molmil](/molmil-images/mine/4v6s) | Structural characterization of mRNA-tRNA translocation intermediates (class 3 of the six classes) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Agirrezabala, X, Liao, H, Schreiner, E, Fu, J, Ortiz-Meoz, R.F, Schulten, K, Green, R, Frank, J. | Deposit date: | 2011-12-09 | Release date: | 2014-07-09 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (13.1 Å) | Cite: | Structural characterization of mRNA-tRNA translocation intermediates. Proc.Natl.Acad.Sci.USA, 109, 2012
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4URY
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![BU of 4ury by Molmil](/molmil-images/mine/4ury) | The crystal structure of H-Ras and SOS in complex with ligands | Descriptor: | GTPASE HRAS, N-[(4-aminophenyl)sulfonyl]cyclopropanecarboxamide, SON OF SEVENLESS HOMOLOG 1 | Authors: | Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G. | Deposit date: | 2014-07-02 | Release date: | 2015-03-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation. J.Med.Chem., 58, 2015
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4W1X
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![BU of 4w1x by Molmil](/molmil-images/mine/4w1x) | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with 1-(4-(4-(3-chlorobenzoyl)piperazin-1-yl)phenyl)ethanone | Descriptor: | 1,2-ETHANEDIOL, 1-{4-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl}ethanone, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ... | Authors: | Finzel, B.C, Dai, R. | Deposit date: | 2014-08-13 | Release date: | 2015-02-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Target-Based Identification of Whole-Cell Active Inhibitors of Biotin Biosynthesis in Mycobacterium tuberculosis. Chem.Biol., 22, 2015
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2Y3H
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![BU of 2y3h by Molmil](/molmil-images/mine/2y3h) | E63Q mutant of Cupriavidus metallidurans CH34 CnrXs | Descriptor: | GLYCEROL, NICKEL AND COBALT RESISTANCE PROTEIN CNRR | Authors: | Trepreau, J, Girard, E, Maillard, A.P, de Rosny, E, Petit-Haertlein, I, Kahn, R, Coves, J. | Deposit date: | 2010-12-20 | Release date: | 2011-03-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.892 Å) | Cite: | Structural Basis for Metal Sensing by Cnrx. J.Mol.Biol., 408, 2011
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4W4W
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![BU of 4w4w by Molmil](/molmil-images/mine/4w4w) | JNK2/3 in complex with N-(2-methylpyridin-4-yl)-3-{4-[(phenylcarbamoyl)amino]-1H-pyrazol-1-yl}benzamide | Descriptor: | N-(2-methylpyridin-4-yl)-3-{4-[(phenylcarbamoyl)amino]-1H-pyrazol-1-yl}benzamide, c-Jun N-terminal kinase 3 | Authors: | Park, H, Iqbal, S, Hernandez, P, Mora, R, Zheng, K, Feng, Y, LoGrasso, P. | Deposit date: | 2014-08-15 | Release date: | 2015-02-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Basis and Biological Consequences for JNK2/3 Isoform Selective Aminopyrazoles. Sci Rep, 5, 2015
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1LUL
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![BU of 1lul by Molmil](/molmil-images/mine/1lul) | DB58, A LEGUME LECTIN FROM DOLICHOS BIFLORUS | Descriptor: | CALCIUM ION, LECTIN DB58, MANGANESE (II) ION | Authors: | Hamelryck, T.W, Bouckaert, J, Dao-Thi, M.H, Wyns, L, Etzler, M, Loris, R. | Deposit date: | 1998-06-30 | Release date: | 1998-12-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Carbohydrate binding, quaternary structure and a novel hydrophobic binding site in two legume lectin oligomers from Dolichos biflorus. J.Mol.Biol., 286, 1999
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4WDQ
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![BU of 4wdq by Molmil](/molmil-images/mine/4wdq) | Crystal structure of haloalkane dehalogenase LinB32 mutant (L177W) from Sphingobium japonicum UT26 | Descriptor: | CHLORIDE ION, Haloalkane dehalogenase, MAGNESIUM ION | Authors: | Degtjarik, O, Rezacova, P, Chaloupkova, R, Damborsky, J, Kuta-Smatanova, I. | Deposit date: | 2014-09-09 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Crystal structure of haloalkane dehalogenase LinB mutant (L177W) from Sphingobium japonicum UT26 Acs Catalysis, 2016
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4WCZ
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![BU of 4wcz by Molmil](/molmil-images/mine/4wcz) | Crystal structure of a putative enoyl-CoA hydratase/isomerase from Novosphingobium aromaticivorans | Descriptor: | Enoyl-CoA hydratase/isomerase | Authors: | Tkaczuk, K.L, Cooper, D.R, Chapman, H.C, Niedzialkowska, E, Cymborowski, M.T, Hillerich, B.S, Stead, M, Ahmed, M, Hammonds, J, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-09-05 | Release date: | 2014-12-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Crystal structure of a putative enoyl-CoA hydratase/isomerase from Novosphingobium aromaticivorans to be published
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7RL1
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![BU of 7rl1 by Molmil](/molmil-images/mine/7rl1) | AAVrh.10-7x capsid | Descriptor: | Capsid protein VP1, DNA (5'-D(*CP*A)-3') | Authors: | Mietzsch, M, McKenna, R. | Deposit date: | 2021-07-23 | Release date: | 2021-09-08 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.71 Å) | Cite: | Structural Study of Aavrh.10 Receptor and Antibody Interactions. J.Virol., 95, 2021
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