5AIX
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![BU of 5aix by Molmil](/molmil-images/mine/5aix) | Complex of human hematopoietic prostagandin D2 synthase (hH-PGDS) in complex with an active site inhibitor. | Descriptor: | 6-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide, GLUTATHIONE, HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE, ... | Authors: | Edfeldt, F, Evenas, J, Lepisto, M, Ward, A, Petersen, J, Wissler, L, Rohman, M, Sivars, U, Svensson, K, Perry, M, Feierberg, I, Zhou, X, Hansson, T, Narjes, F. | Deposit date: | 2015-02-18 | Release date: | 2015-06-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of Indole Inhibitors of Human Hematopoietic Prostaglandin D2 Synthase (Hh-Pgds). Bioorg.Med.Chem.Lett., 25, 2015
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4PWB
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![BU of 4pwb by Molmil](/molmil-images/mine/4pwb) | Phl p 4 I153V variant, a glucose oxidase, pressurized with Xenon | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, MALONATE ION, Pollen allergen Phl p 4.0202, ... | Authors: | Zafred, D, Keller, W, Macheroux, P. | Deposit date: | 2014-03-19 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rationally engineered flavin-dependent oxidase reveals steric control of dioxygen reduction. Febs J., 282, 2015
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5CFN
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![BU of 5cfn by Molmil](/molmil-images/mine/5cfn) | Crystal structure of anemone STING (Nematostella vectensis) in complex with 3',3' c-di-AMP, c[A(3',5')pA(3',5')p] | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, Stimulator of Interferon Genes | Authors: | Kranzusch, P.J, Wilson, S.C, Lee, A.S.Y, Berger, J.M, Doudna, J.A, Vance, R.E. | Deposit date: | 2015-07-08 | Release date: | 2015-08-26 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Ancient Origin of cGAS-STING Reveals Mechanism of Universal 2',3' cGAMP Signaling. Mol.Cell, 59, 2015
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5C1M
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![BU of 5c1m by Molmil](/molmil-images/mine/5c1m) | Crystal structure of active mu-opioid receptor bound to the agonist BU72 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol, CHOLESTEROL, ... | Authors: | Huang, W.J, Manglik, A, Venkatakrishnan, A.J, Laeremans, T, Feinberg, E.N, Sanborn, A.L, Kato, H.E, Livingston, K.E, Thorsen, T.S, Kling, R, Granier, S, Gmeiner, P, Husbands, S.M, Traynor, J.R, Weis, W.I, Steyaert, J, Dror, R.O, Kobilka, B.K. | Deposit date: | 2015-06-15 | Release date: | 2015-08-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structural insights into mu-opioid receptor activation. Nature, 524, 2015
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7QSX
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![BU of 7qsx by Molmil](/molmil-images/mine/7qsx) | Non-obligately L8S8-complex forming RubisCO derived from ancestral sequence reconstruction and rational engineering in L8 complex | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, RubisCO large subunit | Authors: | Zarzycki, J, Schulz, L, Erb, T.J, Hochberg, G.K.A. | Deposit date: | 2022-01-14 | Release date: | 2022-10-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Evolution of increased complexity and specificity at the dawn of form I Rubiscos. Science, 378, 2022
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5CFP
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![BU of 5cfp by Molmil](/molmil-images/mine/5cfp) | Crystal structure of anemone STING (Nematostella vectensis) 'humanized' F276K in complex with 3', 3' c-di-GMP, c[G(3', 5')pG(3', 5')p]' | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Stimulator of Interferon Genes | Authors: | Kranzusch, P.J, Wilson, S.C, Lee, A.S.Y, Berger, J.M, Doudna, J.A, Vance, R.E. | Deposit date: | 2015-07-08 | Release date: | 2015-08-26 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.066 Å) | Cite: | Ancient Origin of cGAS-STING Reveals Mechanism of Universal 2',3' cGAMP Signaling. Mol.Cell, 59, 2015
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5CFO
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![BU of 5cfo by Molmil](/molmil-images/mine/5cfo) | Crystal structure of anemone STING (Nematostella vectensis) in apo 'rotated' open conformation | Descriptor: | Stimulator of Interferon Genes | Authors: | Kranzusch, P.J, Wilson, S.C, Lee, A.S.Y, Berger, J.M, Doudna, J.A, Vance, R.E. | Deposit date: | 2015-07-08 | Release date: | 2015-08-26 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | Ancient Origin of cGAS-STING Reveals Mechanism of Universal 2',3' cGAMP Signaling. Mol.Cell, 59, 2015
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5CFL
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![BU of 5cfl by Molmil](/molmil-images/mine/5cfl) | Crystal structure of anemone STING (Nematostella vectensis) in complex with 3', 3' c-di-GMP, c[G(3', 5')pG(3', 5')p] | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CITRATE ANION, Stimulator of Interferon Genes | Authors: | Kranzusch, P.J, Wilson, S.C, Lee, A.S.Y, Berger, J.M, Doudna, J.A, Vance, R.E. | Deposit date: | 2015-07-08 | Release date: | 2015-08-26 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.836 Å) | Cite: | Ancient Origin of cGAS-STING Reveals Mechanism of Universal 2',3' cGAMP Signaling. Mol.Cell, 59, 2015
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5CFR
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![BU of 5cfr by Molmil](/molmil-images/mine/5cfr) | Crystal structure of anemone STING (Nematostella vectensis) in apo 'unrotated' closed conformation | Descriptor: | CALCIUM ION, Stimulator of Interferon Genes | Authors: | Kranzusch, P.J, Wilson, S.C, Lee, A.S.Y, Berger, J.M, Doudna, J.A, Vance, R.E. | Deposit date: | 2015-07-08 | Release date: | 2015-08-26 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Ancient Origin of cGAS-STING Reveals Mechanism of Universal 2',3' cGAMP Signaling. Mol.Cell, 59, 2015
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5CEE
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![BU of 5cee by Molmil](/molmil-images/mine/5cee) | Malic enzyme from Candidatus Phytoplasma AYWB in complex with NAD and Mg2+ | Descriptor: | MAGNESIUM ION, NAD-dependent malic enzyme, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Alvarez, C.E, Trajtenberg, F, Larrieux, N, Saigo, M, Mussi, M.A, Andreo, C.S, Drincovich, M.F, Buschiazzo, A. | Deposit date: | 2015-07-06 | Release date: | 2016-10-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.498 Å) | Cite: | The crystal structure of the malic enzyme from Candidatus Phytoplasma reveals the minimal structural determinants for a malic enzyme. Acta Crystallogr D Struct Biol, 74, 2018
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5CFQ
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![BU of 5cfq by Molmil](/molmil-images/mine/5cfq) | Crystal structure of anemone STING (Nematostella vectensis) in complex with 2',3' cGAMP, c[G(2',5')pA(3',5')p] | Descriptor: | SULFATE ION, Stimulator of Interferon Genes, cGAMP | Authors: | Kranzusch, P.J, Wilson, S.C, Lee, A.S.Y, Berger, J.M, Doudna, J.A, Vance, R.E. | Deposit date: | 2015-07-08 | Release date: | 2015-08-26 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.099 Å) | Cite: | Ancient Origin of cGAS-STING Reveals Mechanism of Universal 2',3' cGAMP Signaling. Mol.Cell, 59, 2015
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5CFM
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![BU of 5cfm by Molmil](/molmil-images/mine/5cfm) | Crystal structure of anemone STING (Nematostella vectensis) in complex with 3', 3' cGAMP, c[G(3', 5')pA(3', 5')p] | Descriptor: | 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, CITRATE ANION, Stimulator of Interferon Genes | Authors: | Kranzusch, P.J, Wilson, S.C, Lee, A.S.Y, Berger, J.M, Doudna, J.A, Vance, R.E. | Deposit date: | 2015-07-08 | Release date: | 2015-08-26 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.994 Å) | Cite: | Ancient Origin of cGAS-STING Reveals Mechanism of Universal 2',3' cGAMP Signaling. Mol.Cell, 59, 2015
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5AIS
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![BU of 5ais by Molmil](/molmil-images/mine/5ais) | Complex of human hematopoietic prostagandin D2 synthase (hH-PGDS) in complex with an active site inhibitor. | Descriptor: | 4-(dimethylamino)-N-[5-(1H-indol-4-yl)pyridin-3-yl]butanamide, GLUTATHIONE, HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE, ... | Authors: | Edfeldt, F, Evenas, J, Lepisto, M, Ward, A, Petersen, J, Wissler, L, Rohman, M, Sivars, U, Svensson, K, Perry, M, Feierberg, I, Zhou, X, Hansson, T, Narjes, F. | Deposit date: | 2015-02-17 | Release date: | 2015-06-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Identification of Indole Inhibitors of Human Hematopoietic Prostaglandin D2 Synthase (Hh-Pgds). Bioorg.Med.Chem.Lett., 25, 2015
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7QVI
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![BU of 7qvi by Molmil](/molmil-images/mine/7qvi) | Fiber-forming RubisCO derived from ancestral sequence reconstruction and rational engineering | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, RubisCO large subunit | Authors: | Schulz, L, Zarzycki, J, Prinz, S, Schuller, J.M, Erb, T.J, Hochberg, G.K.A. | Deposit date: | 2022-01-21 | Release date: | 2022-10-12 | Last modified: | 2022-10-26 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Evolution of increased complexity and specificity at the dawn of form I Rubiscos. Science, 378, 2022
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7QT1
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![BU of 7qt1 by Molmil](/molmil-images/mine/7qt1) | Non-obligately L8S8-complex forming RubisCO derived from ancestral sequence reconstruction and rational engineering in L8S8 complex with substitution e170N | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, RubisCO large subunit, ... | Authors: | Zarzycki, J, Schulz, L, Erb, T.J, Hochberg, G.K.A. | Deposit date: | 2022-01-14 | Release date: | 2022-10-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Evolution of increased complexity and specificity at the dawn of form I Rubiscos. Science, 378, 2022
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7QSW
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![BU of 7qsw by Molmil](/molmil-images/mine/7qsw) | L8S8-complex forming RubisCO derived from ancestral sequence reconstruction of the last common ancestor of SSU-bearing Form I RubisCOs | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, RubisCO large subunit, ... | Authors: | Zarzycki, J, Schulz, L, Erb, T.J, Hochberg, G.K.A. | Deposit date: | 2022-01-14 | Release date: | 2022-10-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Evolution of increased complexity and specificity at the dawn of form I Rubiscos. Science, 378, 2022
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7QSV
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![BU of 7qsv by Molmil](/molmil-images/mine/7qsv) | L8-complex forming RubisCO derived from ancestral sequence reconstruction of the last common ancestor of Form I'' and Form I RubisCOs | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, RubisCO large subunit | Authors: | Zarzycki, J, Schulz, L, Erb, T.J, Hochberg, G.K.A. | Deposit date: | 2022-01-14 | Release date: | 2022-10-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Evolution of increased complexity and specificity at the dawn of form I Rubiscos. Science, 378, 2022
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7QSY
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![BU of 7qsy by Molmil](/molmil-images/mine/7qsy) | Non-obligately L8S8-complex forming RubisCO derived from ancestral sequence reconstruction and rational engineering in L8S8 complex | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, RubisCO large subunit, ... | Authors: | Zarzycki, J, Schulz, L, Erb, T.J, Hochberg, G.K.A. | Deposit date: | 2022-01-14 | Release date: | 2022-10-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Evolution of increased complexity and specificity at the dawn of form I Rubiscos. Science, 378, 2022
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7QSZ
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![BU of 7qsz by Molmil](/molmil-images/mine/7qsz) | Non-obligately L8S8-complex forming RubisCO derived from ancestral sequence reconstruction and rational engineering in L8 complex with substitution e170N | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, RubisCO large subunit | Authors: | Zarzycki, J, Schulz, L, Erb, T.J, Hochberg, G.K.A. | Deposit date: | 2022-01-14 | Release date: | 2022-10-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Evolution of increased complexity and specificity at the dawn of form I Rubiscos. Science, 378, 2022
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8TTM
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![BU of 8ttm by Molmil](/molmil-images/mine/8ttm) | IgG1 Fc Heterodimer combYSelect1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin gamma-1 heavy chain | Authors: | Azzam, T, Du, J.J, Sundberg, E.J. | Deposit date: | 2023-08-14 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Combinatorially restricted computational design of protein-protein interfaces to produce IgG heterodimers. Sci Adv, 10, 2024
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8TUD
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![BU of 8tud by Molmil](/molmil-images/mine/8tud) | IgG1 Fc Heterodimer combYSelect2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin gamma-1 heavy chain | Authors: | Azzam, T, Du, J.J, Sundberg, E.J. | Deposit date: | 2023-08-16 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Combinatorially restricted computational design of protein-protein interfaces to produce IgG heterodimers. Sci Adv, 10, 2024
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8WRH
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![BU of 8wrh by Molmil](/molmil-images/mine/8wrh) | SARS-CoV-2 XBB.1.5.70 in complex with ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S2' | Authors: | Feng, L.L, Feng, L.L. | Deposit date: | 2023-10-14 | Release date: | 2023-11-29 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.08 Å) | Cite: | Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding. Plos Pathog., 19, 2023
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8WRL
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![BU of 8wrl by Molmil](/molmil-images/mine/8wrl) | XBB.1.5 RBD in complex with ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1 | Authors: | Feng, L.L, Feng, L.L. | Deposit date: | 2023-10-15 | Release date: | 2023-11-29 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.36 Å) | Cite: | Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding. Plos Pathog., 19, 2023
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8WRM
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![BU of 8wrm by Molmil](/molmil-images/mine/8wrm) | XBB.1.5 spike protein in complex with ACE2 | Descriptor: | Processed angiotensin-converting enzyme 2, Spike glycoprotein | Authors: | Feng, L.L, Feng, L.L. | Deposit date: | 2023-10-15 | Release date: | 2023-12-06 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.34 Å) | Cite: | Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding. Plos Pathog., 19, 2023
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8WRO
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![BU of 8wro by Molmil](/molmil-images/mine/8wro) | XBB.1.5.10 spike protein in complex with ACE2 | Descriptor: | Processed angiotensin-converting enzyme 2, Spike glycoprotein,Spike glycoprotein,Spike glycoprotein,Fusion protein | Authors: | Feng, L.L, Feng, L.L. | Deposit date: | 2023-10-15 | Release date: | 2023-12-06 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding. Plos Pathog., 19, 2023
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