1ODC
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![BU of 1odc by Molmil](/molmil-images/mine/1odc) | STRUCTURE OF ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH N-4'-QUINOLYL-N'-9"-(1",2",3",4"-TETRAHYDROACRIDINYL)-1,8- DIAMINOOCTANE AT 2.2A RESOLUTION | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, N-QUINOLIN-4-YL-N'-(1,2,3,4-TETRAHYDROACRIDIN-9-YL)OCTANE-1,8-DIAMINE | Authors: | Wong, D.M, Greenblatt, H.M, Carlier, P.R, Han, Y.-F, Pang, Y.-P, Silman, I, Sussman, J.L. | Deposit date: | 2003-02-15 | Release date: | 2005-03-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Complexes of Alkylene-Linked Tacrine Dimers with Torpedo Californica Acetylcholinesterase: Binding of Bis(5)-Tacrine Produces a Dramatic Rearrangement in the Active-Site Gorge. J.Med.Chem., 49, 2006
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4EGA
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![BU of 4ega by Molmil](/molmil-images/mine/4ega) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor Chem 1320 | Descriptor: | 2-({3-[(3,5-dibromo-2-methoxybenzyl)amino]propyl}amino)quinolin-4(1H)-one, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2012-03-30 | Release date: | 2012-09-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.698 Å) | Cite: | Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection. Structure, 20, 2012
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6LGN
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![BU of 6lgn by Molmil](/molmil-images/mine/6lgn) | The atomic structure of varicella zoster virus C-capsid | Descriptor: | Major capsid protein, Small capsomere-interacting protein, Triplex capsid protein 1, ... | Authors: | Li, S, Zheng, Q. | Deposit date: | 2019-12-05 | Release date: | 2020-07-29 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (5.3 Å) | Cite: | Near-atomic cryo-electron microscopy structures of varicella-zoster virus capsids. Nat Microbiol, 5, 2020
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7E7L
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![BU of 7e7l by Molmil](/molmil-images/mine/7e7l) | The crystal structure of arylacetate decarboxylase from Olsenella scatoligenes. | Descriptor: | 4-HYDROXYPHENYLACETATE, Hydroxyphenylacetic acid decarboxylase | Authors: | Lu, Q, Duan, Y, Zhang, Y, Yuchi, Z. | Deposit date: | 2021-02-26 | Release date: | 2021-07-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.53 Å) | Cite: | The Glycyl Radical Enzyme Arylacetate Decarboxylase from Olsenella scatoligenes Acs Catalysis, 11, 2021
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6LGL
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![BU of 6lgl by Molmil](/molmil-images/mine/6lgl) | The atomic structure of varicella-zoster virus A-capsid | Descriptor: | Major capsid protein, Small capsomere-interacting protein, Triplex capsid protein 1, ... | Authors: | Zheng, Q, Li, S. | Deposit date: | 2019-12-05 | Release date: | 2020-07-29 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Near-atomic cryo-electron microscopy structures of varicella-zoster virus capsids. Nat Microbiol, 5, 2020
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2R7D
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![BU of 2r7d by Molmil](/molmil-images/mine/2r7d) | Crystal structure of ribonuclease II family protein from Deinococcus radiodurans, triclinic crystal form. NorthEast Structural Genomics target DrR63 | Descriptor: | MAGNESIUM ION, Ribonuclease II family protein | Authors: | Seetharaman, J, Neely, H, Forouhar, F, Wang, D, Fang, Y, Cunningham, K, Ma, L.-C, Xia, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-09-07 | Release date: | 2007-10-02 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Structure and Enzymatic Properties of a Novel RNase II Family Enzyme from Deinococcus radiodurans. J.Mol.Biol., 415, 2012
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2NW9
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![BU of 2nw9 by Molmil](/molmil-images/mine/2nw9) | Crystal Structure of Tryptophan 2,3-dioxygenase (TDO) from Xanthomonas campestris in complex with ferrous heme and 6-fluoro-tryptophan. Northeast Structural Genomics Target XcR13 | Descriptor: | 6-FLUORO-L-TRYPTOPHAN, MANGANESE (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Forouhar, F, Anderson, J.L.R, Mowat, C.G, Bruckmann, C, Thackray, S.J, Seetharaman, J, Ho, C.K, Ma, L.C, Cunningham, K, Janjua, H, Zhao, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Champman, S.K, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-11-14 | Release date: | 2006-12-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular insights into substrate recognition and catalysis by tryptophan 2,3-dioxygenase. Proc.Natl.Acad.Sci.Usa, 104, 2007
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2NW7
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![BU of 2nw7 by Molmil](/molmil-images/mine/2nw7) | Crystal Structure of Tryptophan 2,3-dioxygenase (TDO) from Xanthomonas campestris in complex with ferric heme. Northeast Structural Genomics Target XcR13 | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase | Authors: | Forouhar, F, Anderson, J.L.R, Mowat, C.G, Hussain, A, Bruckmann, C, Thackray, S.J, Seetharaman, J, Tucker, T, Ho, C.K, Ma, L.C, Cunningham, K, Janjua, H, Zhao, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Chapman, S.K, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-11-14 | Release date: | 2006-12-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Molecular insights into substrate recognition and catalysis by tryptophan 2,3-dioxygenase. Proc.Natl.Acad.Sci.Usa, 104, 2007
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4EG4
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![BU of 4eg4 by Molmil](/molmil-images/mine/4eg4) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor Chem 1289 | Descriptor: | 2-({3-[(3,5-dibromo-2-ethoxybenzyl)amino]propyl}amino)quinolin-4(1H)-one, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2012-03-30 | Release date: | 2012-09-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.151 Å) | Cite: | Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection. Structure, 20, 2012
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6LS5
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![BU of 6ls5 by Molmil](/molmil-images/mine/6ls5) | Structure of human liver FBPase complexed with covalent allosteric inhibitor | Descriptor: | 2-(ethyldisulfanyl)-1,3-benzothiazole, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ... | Authors: | Yunyuan, H, Rongrong, S, Yixiang, X, Shuaishuai, N, Yanliang, R, Jian, L, Jian, W. | Deposit date: | 2020-01-17 | Release date: | 2020-05-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.031 Å) | Cite: | Identification of the New Covalent Allosteric Binding Site of Fructose-1,6-bisphosphatase with Disulfiram Derivatives toward Glucose Reduction. J.Med.Chem., 63, 2020
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6LNK
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![BU of 6lnk by Molmil](/molmil-images/mine/6lnk) | Candida albicans Fructose-1,6-bisphosphate aldolase | Descriptor: | 1,2-ETHANEDIOL, Fructose-bisphosphate aldolase, ZINC ION | Authors: | Huang, Y, Cao, H, Ren, Y, Wan, J. | Deposit date: | 2019-12-30 | Release date: | 2020-12-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.639 Å) | Cite: | Structure-Guided Discovery of the Novel Covalent Allosteric Site and Covalent Inhibitors of Fructose-1,6-Bisphosphate Aldolase to Overcome the Azole Resistance of Candidiasis. J.Med.Chem., 65, 2022
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4EG8
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![BU of 4eg8 by Molmil](/molmil-images/mine/4eg8) | Trypanosoma brucei methionyl-tRNA synthetase in complex with compound Chem 89 | Descriptor: | 2-aminoquinolin-8-ol, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2012-03-30 | Release date: | 2012-09-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.596 Å) | Cite: | Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection. Structure, 20, 2012
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3N4M
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![BU of 3n4m by Molmil](/molmil-images/mine/3n4m) | E. coli RNA polymerase alpha subunit C-terminal domain in complex with CAP and DNA | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Catabolite gene activator, DI(HYDROXYETHYL)ETHER, ... | Authors: | Lara-Gonzalez, S, Birktoft, J.J, Lawson, C.L. | Deposit date: | 2010-05-21 | Release date: | 2011-05-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.987 Å) | Cite: | The RNA Polymerase alpha Subunit Recognizes the DNA Shape of the Upstream Promoter Element. Biochemistry, 59, 2020
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4EG1
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![BU of 4eg1 by Molmil](/molmil-images/mine/4eg1) | Trypanosoma brucei methionyl-tRNA synthetase in complex with substrate Methionine | Descriptor: | GLYCEROL, METHIONINE, Methionyl-tRNA synthetase, ... | Authors: | Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2012-03-30 | Release date: | 2012-09-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection. Structure, 20, 2012
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4EG3
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![BU of 4eg3 by Molmil](/molmil-images/mine/4eg3) | Trypanosoma brucei methionyl-tRNA synthetase in complex with product methionyl-adenylate | Descriptor: | GLYCEROL, Methionyl-tRNA synthetase, putative, ... | Authors: | Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2012-03-30 | Release date: | 2012-09-12 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection. Structure, 20, 2012
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2HD3
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![BU of 2hd3 by Molmil](/molmil-images/mine/2hd3) | Crystal Structure of the Ethanolamine Utilization Protein EutN from Escherichia coli, NESG Target ER316 | Descriptor: | Ethanolamine utilization protein eutN | Authors: | Forouhar, F, Zhang, W, Jayaraman, S, Zhao, L, Jiang, M, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-06-19 | Release date: | 2006-08-15 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Functional insights from structural genomics. J.STRUCT.FUNCT.GENOM., 8, 2007
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2R7F
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![BU of 2r7f by Molmil](/molmil-images/mine/2r7f) | Crystal structure of ribonuclease II family protein from Deinococcus radiodurans, hexagonal crystal form. NorthEast Structural Genomics target DrR63 | Descriptor: | Ribonuclease II family protein | Authors: | Seetharaman, J, Neely, H, Forouhar, F, Wang, D, Fang, Y, Cunningham, K, Ma, L.-C, Xia, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-09-07 | Release date: | 2007-10-02 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The Structure and Enzymatic Properties of a Novel RNase II Family Enzyme from Deinococcus radiodurans. J.Mol.Biol., 415, 2012
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7XO4
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![BU of 7xo4 by Molmil](/molmil-images/mine/7xo4) | SARS-CoV-2 Omicron BA.1 Variant Spike Trimer with two mouse ACE2 Bound | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein, ... | Authors: | Xu, Y, Wu, C, Liu, H, Yin, W, Xu, H.E. | Deposit date: | 2022-04-30 | Release date: | 2022-06-15 | Last modified: | 2022-07-13 | Method: | ELECTRON MICROSCOPY (3.24 Å) | Cite: | Structural and biochemical mechanism for increased infectivity and immune evasion of Omicron BA.2 variant compared to BA.1 and their possible mouse origins. Cell Res., 32, 2022
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7XOA
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![BU of 7xoa by Molmil](/molmil-images/mine/7xoa) | SARS-CoV-2 Omicron BA.2 Variant Spike Trimer with one mouse ACE2 Bound | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein, ... | Authors: | Xu, Y, Wu, C, Liu, H, Yin, W, Xu, H.E. | Deposit date: | 2022-05-01 | Release date: | 2022-06-15 | Last modified: | 2022-07-13 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural and biochemical mechanism for increased infectivity and immune evasion of Omicron BA.2 variant compared to BA.1 and their possible mouse origins. Cell Res., 32, 2022
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7XO9
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![BU of 7xo9 by Molmil](/molmil-images/mine/7xo9) | SARS-CoV-2 Omicron BA.2 Variant RBD complexed with human ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ... | Authors: | Xu, Y, Wu, C, Liu, H, Yin, W, Xu, H.E. | Deposit date: | 2022-05-01 | Release date: | 2022-06-15 | Last modified: | 2022-07-13 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural and biochemical mechanism for increased infectivity and immune evasion of Omicron BA.2 variant compared to BA.1 and their possible mouse origins. Cell Res., 32, 2022
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7XO5
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![BU of 7xo5 by Molmil](/molmil-images/mine/7xo5) | SARS-CoV-2 Omicron BA.1 Variant Spike Trimer with one mouse ACE2 Bound | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein, ... | Authors: | Xu, Y, Wu, C, Liu, H, Yin, W, Xu, H.E. | Deposit date: | 2022-05-01 | Release date: | 2022-06-15 | Last modified: | 2022-07-13 | Method: | ELECTRON MICROSCOPY (3.13 Å) | Cite: | Structural and biochemical mechanism for increased infectivity and immune evasion of Omicron BA.2 variant compared to BA.1 and their possible mouse origins. Cell Res., 32, 2022
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7XO7
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![BU of 7xo7 by Molmil](/molmil-images/mine/7xo7) | SARS-CoV-2 Omicron BA.2 Variant Spike Trimer with two human ACE2 Bound | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ... | Authors: | Xu, Y, Wu, C, Liu, H, Yin, W, Xu, H.E. | Deposit date: | 2022-05-01 | Release date: | 2022-06-15 | Last modified: | 2022-07-13 | Method: | ELECTRON MICROSCOPY (3.38 Å) | Cite: | Structural and biochemical mechanism for increased infectivity and immune evasion of Omicron BA.2 variant compared to BA.1 and their possible mouse origins. Cell Res., 32, 2022
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7XOD
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![BU of 7xod by Molmil](/molmil-images/mine/7xod) | SARS-CoV-2 Omicron BA.2 Variant Spike Trimer with three JMB2002 Fab Bound | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of JMB2002 Fab, ... | Authors: | Xu, Y, Wu, C, Liu, H, Yin, W, Xu, H.E. | Deposit date: | 2022-05-01 | Release date: | 2022-06-15 | Last modified: | 2022-07-13 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | Structural and biochemical mechanism for increased infectivity and immune evasion of Omicron BA.2 variant compared to BA.1 and their possible mouse origins. Cell Res., 32, 2022
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7XO8
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![BU of 7xo8 by Molmil](/molmil-images/mine/7xo8) | SARS-CoV-2 Omicron BA.2 Variant Spike Trimer with three human ACE2 Bound | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ... | Authors: | Xu, Y, Wu, C, Liu, H, Yin, W, Xu, H.E. | Deposit date: | 2022-05-01 | Release date: | 2022-06-15 | Last modified: | 2022-07-13 | Method: | ELECTRON MICROSCOPY (3.48 Å) | Cite: | Structural and biochemical mechanism for increased infectivity and immune evasion of Omicron BA.2 variant compared to BA.1 and their possible mouse origins. Cell Res., 32, 2022
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7XO6
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![BU of 7xo6 by Molmil](/molmil-images/mine/7xo6) | SARS-CoV-2 Omicron BA.1 Variant RBD with mouse ACE2 Bound | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Xu, Y, Wu, C, Liu, H, Yin, W, Xu, H.E. | Deposit date: | 2022-05-01 | Release date: | 2022-06-15 | Last modified: | 2022-07-13 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structural and biochemical mechanism for increased infectivity and immune evasion of Omicron BA.2 variant compared to BA.1 and their possible mouse origins. Cell Res., 32, 2022
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