5KCH
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![BU of 5kch by Molmil](/molmil-images/mine/5kch) | SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy into weak electron density | Descriptor: | 4-methoxy-N-[(pyridin-2-yl)methyl]aniline, DIMETHYL SULFOXIDE, Histone-lysine N-methyltransferase SETDB1, ... | Authors: | Tempel, W, Harding, R.J, Mader, P, Dobrovetsky, E, Walker, J.R, Brown, P.J, Schapira, M, Collins, P, Pearce, N, Brandao-Neto, J, Douangamath, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Santhakumar, V, Structural Genomics Consortium (SGC) | Deposit date: | 2016-06-06 | Release date: | 2016-07-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy To Be Published
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5KH6
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![BU of 5kh6 by Molmil](/molmil-images/mine/5kh6) | SETDB1 in complex with a fragment candidate | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Walker, J.R, Harding, R.J, Mader, P, Dobrovetsky, E, Dong, A, Collins, P, Pearce, N, Brandao-Neto, J, Douangamath, A, von Delft, F, Brown, P.J, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Santhakumar, V, Structural Genomics Consortium (SGC) | Deposit date: | 2016-06-14 | Release date: | 2016-09-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | SETDB1 in complex with a fragment candidate To be published
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5K9Y
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![BU of 5k9y by Molmil](/molmil-images/mine/5k9y) | Crystal structure of a thermophilic xylanase A from Bacillus subtilis 1A1 quadruple mutant Q7H/G13R/S22P/S179C | Descriptor: | Endo-1,4-beta-xylanase A | Authors: | Pinheiro, M.P, Ferreira, T.L, Silva, S.R.B, Fuzo, C.A, Silva, S.R, Lourenzoni, M.R, Vieira, D.S, Ward, R.J, Nonato, M.C. | Deposit date: | 2016-06-01 | Release date: | 2017-04-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The role of local residue environmental changes in thermostable mutants of the GH11 xylanase from Bacillus subtilis. Int. J. Biol. Macromol., 97, 2017
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5KCO
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![BU of 5kco by Molmil](/molmil-images/mine/5kco) | SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy | Descriptor: | DIMETHYL SULFOXIDE, Histone-lysine N-methyltransferase SETDB1, SULFATE ION, ... | Authors: | Tempel, W, Harding, R.J, Mader, P, Dobrovetsky, E, Walker, J.R, Brown, P.J, Schapira, M, Collins, P, Pearce, N, Brandao-Neto, J, Douangamath, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Santhakumar, V, Structural Genomics Consortium (SGC) | Deposit date: | 2016-06-06 | Release date: | 2016-07-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy To Be Published
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5KH9
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![BU of 5kh9 by Molmil](/molmil-images/mine/5kh9) | Crystal structure of a low occupancy fragment candidate (5-[(4-Isopropylphenyl)amino]-6-methyl-1,2,4-triazin-3(2H)-one) bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | Descriptor: | 6-methyl-5-[(4-propan-2-ylphenyl)amino]-2~{H}-1,2,4-triazin-3-one, FORMIC ACID, Histone deacetylase 6, ... | Authors: | Harding, R.J, Tempel, W, Ravichandran, M, Collins, P, Pearce, N, Brandao-Neto, J, Douangamath, A, Schapira, M, Bountra, C, Edwards, A.M, von Delft, F, Santhakumar, V, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | Deposit date: | 2016-06-14 | Release date: | 2016-07-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin. J. Med. Chem., 60, 2017
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5KH7
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![BU of 5kh7 by Molmil](/molmil-images/mine/5kh7) | Crystal structure of fragment (3-[6-Oxo-3-(3-pyridinyl)-1(6H)-pyridazinyl]propanoic acid) bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | Descriptor: | 3-(6-oxidanylidene-3-pyridin-3-yl-pyridazin-1-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | Authors: | Harding, R.J, Walker, J, Ravichandran, M, Ferreira de Freitas, R, Schapira, M, Bountra, C, Edwards, A.M, Santhakumar, V, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | Deposit date: | 2016-06-14 | Release date: | 2016-07-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin. J. Med. Chem., 60, 2017
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1NKZ
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![BU of 1nkz by Molmil](/molmil-images/mine/1nkz) | Crystal structure of LH2 B800-850 from Rps. acidophila at 2.0 Angstrom resolution | Descriptor: | BACTERIOCHLOROPHYLL A, BENZAMIDINE, Light-harvesting protein B-800/850, ... | Authors: | Papiz, M.Z, Prince, S.M, Howard, T, Cogdell, R.J, Isaacs, N.W. | Deposit date: | 2003-01-06 | Release date: | 2003-02-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The structure and thermal motion of the B800-850 LH2 complex from Rps. acidophila at 2.0 A resolution and 100K : new structural features and functionally relevant motions. J.Mol.Biol., 326, 2003
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5KK8
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![BU of 5kk8 by Molmil](/molmil-images/mine/5kk8) | Crystal structure of Nucleoside Diphosphate Kinase from Schistosoma mansoni in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Nucleoside diphosphate kinase | Authors: | Torini, J.R.S, Romanello, L, Bird, L.E, Nettleship, J.E, Owens, R.J, Aller, P, DeMarco, R, Brandao-Neto, J, Pereira, H.M. | Deposit date: | 2016-06-21 | Release date: | 2017-06-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Characterization of a Schistosoma mansoni NDPK expressed in sexual and digestive organs. Mol.Biochem.Parasitol., 2019
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3Q9O
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![BU of 3q9o by Molmil](/molmil-images/mine/3q9o) | |
5IOL
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![BU of 5iol by Molmil](/molmil-images/mine/5iol) | Crystal structure of Nucleoside Diphosphate Kinase from Schistosoma mansoni | Descriptor: | Nucleoside diphosphate kinase | Authors: | Torini, J.R.S, Romanello, L, Bird, L.E, Nettleship, J.E, Owens, R.J, Aller, P, DeMarco, R, Brandao-Neto, J, Pereira, H.M. | Deposit date: | 2016-03-08 | Release date: | 2017-03-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.741 Å) | Cite: | Characterization of a Schistosoma mansoni NDPK expressed in sexual and digestive organs. Mol.Biochem.Parasitol., 2019
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2F19
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![BU of 2f19 by Molmil](/molmil-images/mine/2f19) | THREE-DIMENSIONAL STRUCTURE OF TWO CRYSTAL FORMS OF FAB R19.9, FROM A MONOCLONAL ANTI-ARSONATE ANTIBODY | Descriptor: | IGG2B-KAPPA R19.9 FAB (HEAVY CHAIN), IGG2B-KAPPA R19.9 FAB (LIGHT CHAIN) | Authors: | Lascombe, M.B, Alzari, P.M, Poljak, R.J, Nisonoff, A. | Deposit date: | 1992-05-27 | Release date: | 1992-10-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Three-dimensional structure of two crystal forms of FabR19.9 from a monoclonal anti-arsonate antibody. Proc.Natl.Acad.Sci.USA, 89, 1992
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6C65
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![BU of 6c65 by Molmil](/molmil-images/mine/6c65) | Crystal Structure of the Mango-II-A22U Fluorescent Aptamer Bound to TO1-Biotin | Descriptor: | 4-[(3-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-1,3-benzothiazol-3-ium-2-yl)methyl]-1-methylquinolin-1-ium, POTASSIUM ION, RNA (35-MER), ... | Authors: | Trachman, R.J, Ferre-D'Amare, A.R. | Deposit date: | 2018-01-17 | Release date: | 2018-08-08 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.80005169 Å) | Cite: | Crystal Structures of the Mango-II RNA Aptamer Reveal Heterogeneous Fluorophore Binding and Guide Engineering of Variants with Improved Selectivity and Brightness. Biochemistry, 57, 2018
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6C63
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![BU of 6c63 by Molmil](/molmil-images/mine/6c63) | Crystal Structure of the Mango-II Fluorescent Aptamer Bound to TO1-Biotin | Descriptor: | 4-[(3-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-1,3-benzothiazol-3-ium-2-yl)methyl]-1-methylquinolin-1-ium, POTASSIUM ION, RNA (32-MER), ... | Authors: | Trachman, R.J, Ferre-D'Amare, A.R. | Deposit date: | 2018-01-17 | Release date: | 2018-08-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.900028 Å) | Cite: | Crystal Structures of the Mango-II RNA Aptamer Reveal Heterogeneous Fluorophore Binding and Guide Engineering of Variants with Improved Selectivity and Brightness. Biochemistry, 57, 2018
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5JQH
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![BU of 5jqh by Molmil](/molmil-images/mine/5jqh) | Structure of beta2 adrenoceptor bound to carazolol and inactive-state stabilizing nanobody, Nb60 | Descriptor: | (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, CHOLESTEROL, Endolysin,Beta-2 adrenergic receptor, ... | Authors: | Staus, D.P, Strachan, R.T, Manglik, A, Pani, B, Kahsai, A.W, Kim, T.H, Wingler, L.M, Ahn, S, Chatterjee, A, Masoudi, A, Kruse, A.C, Pardon, E, Steyaert, J, Weis, W.I, Prosser, R.S, Kobilka, B.K, Costa, T, Lefkowitz, R.J. | Deposit date: | 2016-05-05 | Release date: | 2016-07-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Allosteric nanobodies reveal the dynamic range and diverse mechanisms of G-protein-coupled receptor activation. Nature, 535, 2016
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2YBY
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![BU of 2yby by Molmil](/molmil-images/mine/2yby) | Structure of domains 6 and 7 of the mouse complement regulator Factor H | Descriptor: | 1,2-ETHANEDIOL, COMPLEMENT FACTOR H | Authors: | Everett, R.J, Caesar, J.J.E, Johnson, S.J, Tang, C.M, Lea, S.M. | Deposit date: | 2011-03-30 | Release date: | 2012-04-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Design and Evaluation of Meningococcal Vaccines Through Structure-Based Modification of Host and Pathogen Molecules. Plos Pathog., 8, 2012
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6C64
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![BU of 6c64 by Molmil](/molmil-images/mine/6c64) | Crystal Structure of the Mango-II Fluorescent Aptamer Bound to TO3-Biotin | Descriptor: | 1-methyl-4-[(1E)-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)prop-1-en-1-yl]quinolin-1-ium, POTASSIUM ION, RNA (32-MER), ... | Authors: | Trachman, R.J, Ferre-D'Amare, A.R. | Deposit date: | 2018-01-17 | Release date: | 2018-08-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.00014877 Å) | Cite: | Crystal Structures of the Mango-II RNA Aptamer Reveal Heterogeneous Fluorophore Binding and Guide Engineering of Variants with Improved Selectivity and Brightness. Biochemistry, 57, 2018
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7L0Z
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![BU of 7l0z by Molmil](/molmil-images/mine/7l0z) | Spinach variant bound to DFHBI-1T | Descriptor: | (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2-methyl-3-(2,2,2-trifluoroethyl)-3,5-dihydro-4H-imidazol-4-one, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Truong, L, Trachman, R.J, Ferre-D'Amare, A.R. | Deposit date: | 2020-12-13 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Fluorogenic aptamers resolve the flexibility of RNA junctions using orientation-dependent FRET. Rna, 27, 2021
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6CO8
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![BU of 6co8 by Molmil](/molmil-images/mine/6co8) | Structure of Zika virus at a resolution of 3.1 Angstrom | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, E protein, M protein | Authors: | Sevvana, M, Long, F, Miller, A.J, Klose, T, Buda, G, Sun, L, Kuhn, R.J, Rossmann, M.R. | Deposit date: | 2018-03-12 | Release date: | 2018-07-04 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Refinement and Analysis of the Mature Zika Virus Cryo-EM Structure at 3.1 angstrom Resolution. Structure, 26, 2018
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2GLS
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![BU of 2gls by Molmil](/molmil-images/mine/2gls) | |
2HMY
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![BU of 2hmy by Molmil](/molmil-images/mine/2hmy) | BINARY COMPLEX OF HHAI METHYLTRANSFERASE WITH ADOMET FORMED IN THE PRESENCE OF A SHORT NONPSECIFIC DNA OLIGONUCLEOTIDE | Descriptor: | PROTEIN (CYTOSINE-SPECIFIC METHYLTRANSFERASE HHAI), S-ADENOSYLMETHIONINE | Authors: | O'Gara, M, Zhang, X, Roberts, R.J, Cheng, X. | Deposit date: | 1999-02-08 | Release date: | 1999-03-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Structure of a binary complex of HhaI methyltransferase with S-adenosyl-L-methionine formed in the presence of a short non-specific DNA oligonucleotide. J.Mol.Biol., 287, 1999
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6TJJ
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![BU of 6tjj by Molmil](/molmil-images/mine/6tjj) | Structure of Cerezyme at pH 4.6 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Rowland, R.J, Davies, G.J. | Deposit date: | 2019-11-26 | Release date: | 2020-06-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | A baculoviral system for the production of human beta-glucocerebrosidase enables atomic resolution analysis. Acta Crystallogr D Struct Biol, 76, 2020
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6X3S
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![BU of 6x3s by Molmil](/molmil-images/mine/6x3s) | Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with bicuculline methbromide | Descriptor: | (5S)-6,6-dimethyl-5-[(6R)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kim, J.J, Gharpure, A, Teng, J, Zhuang, Y, Howard, R.J, Zhu, S, Noviello, C.M, Walsh, R.M, Lindahl, E, Hibbs, R.E. | Deposit date: | 2020-05-21 | Release date: | 2020-09-09 | Last modified: | 2020-09-23 | Method: | ELECTRON MICROSCOPY (3.12 Å) | Cite: | Shared structural mechanisms of general anaesthetics and benzodiazepines. Nature, 585, 2020
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6T2R
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![BU of 6t2r by Molmil](/molmil-images/mine/6t2r) | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown | Descriptor: | Beta-glycosidase, SULFATE ION | Authors: | Crouch, L.I, Liberato, M.V, Ubranowicz, P.A, Basle, A, Lamb, C.A, Cooke, K, Doona, M, Needham, S, Brady, R.R, Berrington, J.E, Madubic, K, Chater, P, Zhang, F, Linhardt, R.J, Spence, D.I.R, Bolam, D.N. | Deposit date: | 2019-10-09 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown. Nat Commun, 11, 2020
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4WM8
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![BU of 4wm8 by Molmil](/molmil-images/mine/4wm8) | Crystal Structure of Human Enterovirus D68 | Descriptor: | DECANOIC ACID, VP1, VP2, ... | Authors: | Liu, Y, Sheng, J, Fokine, A, Meng, G, Long, F, Kuhn, R.J, Rossmann, M.G. | Deposit date: | 2014-10-08 | Release date: | 2015-01-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Virus structure. Structure and inhibition of EV-D68, a virus that causes respiratory illness in children. Science, 347, 2015
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6DO1
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![BU of 6do1 by Molmil](/molmil-images/mine/6do1) | Structure of nanobody-stabilized angiotensin II type 1 receptor bound to S1I8 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-like peptide S1I8, ... | Authors: | Wingler, L.M, McMahon, C, Staus, D.P, Lefkowitz, R.J, Kruse, A.C. | Deposit date: | 2018-06-08 | Release date: | 2019-01-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.901 Å) | Cite: | Distinctive Activation Mechanism for Angiotensin Receptor Revealed by a Synthetic Nanobody. Cell, 176, 2019
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