6Q1V
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![BU of 6q1v by Molmil](/molmil-images/mine/6q1v) | Human DNA Ligase 1 (E592R) Bound to an Adenylated, hydroxyl terminated DNA nick | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ADENOSINE MONOPHOSPHATE, ... | Authors: | Schellenberg, M.J, Williams, R.S, Tumbale, P.S, Riccio, A.A. | Deposit date: | 2019-08-06 | Release date: | 2019-12-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Two-tiered enforcement of high-fidelity DNA ligation. Nat Commun, 10, 2019
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7O0W
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![BU of 7o0w by Molmil](/molmil-images/mine/7o0w) | Cryo-EM structure of the RC-dLH complex (model_1b) from Gemmatimonas phototrophica at 2.47 A | Descriptor: | (19R,22S)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9Z)-hexadec-9-enoate, (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate, ... | Authors: | Qian, P, Koblizek, M. | Deposit date: | 2021-03-27 | Release date: | 2022-03-02 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (2.47 Å) | Cite: | 2.4- angstrom structure of the double-ring Gemmatimonas phototrophica photosystem. Sci Adv, 8, 2022
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7O0U
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![BU of 7o0u by Molmil](/molmil-images/mine/7o0u) | Cryo-EM structure (model_1a) of the RC-dLH complex from Gemmatimonas phototrophica at 2.4 A | Descriptor: | (19R,22S)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9Z)-hexadec-9-enoate, (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate, ... | Authors: | Qian, P, Koblizek, M. | Deposit date: | 2021-03-27 | Release date: | 2022-03-02 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (2.35 Å) | Cite: | 2.4- angstrom structure of the double-ring Gemmatimonas phototrophica photosystem. Sci Adv, 8, 2022
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7O0X
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![BU of 7o0x by Molmil](/molmil-images/mine/7o0x) | Cryo-EM structure (model_2b) of the RC-dLH complex from Gemmatimonas phototrophica at 2.44 A | Descriptor: | (19R,22S)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9Z)-hexadec-9-enoate, (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate, ... | Authors: | Qian, P, Koblizek, M. | Deposit date: | 2021-03-28 | Release date: | 2022-03-02 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (2.44 Å) | Cite: | 2.4- angstrom structure of the double-ring Gemmatimonas phototrophica photosystem. Sci Adv, 8, 2022
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7O0V
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![BU of 7o0v by Molmil](/molmil-images/mine/7o0v) | Cryo-EM structure (model_2a) of the RC-dLH complex from Gemmatimonas phototrophica at 2.5 A | Descriptor: | (19R,22S)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9Z)-hexadec-9-enoate, (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate, ... | Authors: | Qian, P, Koblizek, M. | Deposit date: | 2021-03-27 | Release date: | 2022-03-02 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | 2.4- angstrom structure of the double-ring Gemmatimonas phototrophica photosystem. Sci Adv, 8, 2022
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6YYT
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![BU of 6yyt by Molmil](/molmil-images/mine/6yyt) | Structure of replicating SARS-CoV-2 polymerase | Descriptor: | RNA product, ZINC ION, nsp12, ... | Authors: | Hillen, H.S, Kokic, G, Farnung, L, Dienemann, C, Tegunov, D, Cramer, P. | Deposit date: | 2020-05-06 | Release date: | 2020-05-13 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structure of replicating SARS-CoV-2 polymerase. Nature, 584, 2020
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8Y6O
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![BU of 8y6o by Molmil](/molmil-images/mine/8y6o) | Cryo-EM Structure of the human minor pre-B complex (pre-precatalytic spliceosome) U11 and tri-snRNP part | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, Centrosomal AT-AC splicing factor, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Bai, R, Yuan, M, Zhang, P, Luo, T, Shi, Y, Wan, R. | Deposit date: | 2024-02-02 | Release date: | 2024-03-20 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.38 Å) | Cite: | Structural basis of U12-type intron engagement by the fully assembled human minor spliceosome. Science, 383, 2024
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7OY8
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![BU of 7oy8 by Molmil](/molmil-images/mine/7oy8) | Cryo-EM structure of the Rhodospirillum rubrum RC-LH1 complex | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate, 2-azanyl-5-[(2~{E},6~{E},8~{E},10~{E},12~{E},14~{E},18~{E},22~{E},26~{E},30~{E},34~{E})-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,8,10,12,14,18,22,26,30,34,38-dodecaenyl]-3-methoxy-6-methyl-cyclohexa-2,5-diene-1,4-dione, ... | Authors: | Qian, P, Croll, T.I, Castro, H.P, Moriarty, N.W, sader, K, Hunter, C.N. | Deposit date: | 2021-06-23 | Release date: | 2021-09-22 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Cryo-EM structure of the Rhodospirillum rubrum RC-LH1 complex at 2.5 angstrom. Biochem.J., 478, 2021
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7P46
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![BU of 7p46 by Molmil](/molmil-images/mine/7p46) | Crystal Structure of Xanthomonas campestris Tryptophan 2,3-dioxygenase (TDO) | Descriptor: | (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid, CYANIDE ION, GLYCEROL, ... | Authors: | Kwon, H, Basran, J, Booth, E.S, Campbell, L.P, Thackray, S.J, Moody, P.C.E, Mowat, C.G, Raven, E.L. | Deposit date: | 2021-07-09 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Binding of l-kynurenine to X. campestris tryptophan 2,3-dioxygenase. J.Inorg.Biochem., 225, 2021
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7M7D
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![BU of 7m7d by Molmil](/molmil-images/mine/7m7d) | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with IACS-8968 | Descriptor: | (5S)-6,6-dimethyl-8-[(4S)-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Leonard, P.G, Cross, J.B. | Deposit date: | 2021-03-27 | Release date: | 2021-09-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme. J.Med.Chem., 64, 2021
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7M63
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![BU of 7m63 by Molmil](/molmil-images/mine/7m63) | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with IACS-70099 | Descriptor: | (2R)-N-(4-chlorophenyl)-2-[(1R,3S,5S,6r)-3-(5,6-difluoro-1H-benzimidazol-1-yl)bicyclo[3.1.0]hexan-6-yl]propanamide, Indoleamine 2,3-dioxygenase 1 | Authors: | Leonard, P.G, Cross, J.B. | Deposit date: | 2021-03-25 | Release date: | 2021-09-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme. J.Med.Chem., 64, 2021
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6OB0
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![BU of 6ob0 by Molmil](/molmil-images/mine/6ob0) | Compound 2 bound structure of WT Lipoprotein Lipase in Complex with GPIHBP1 Mutant N78D N82D produced in HEK293-F cells | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Arora, R, Horton, P.A, Benson, T.E, Romanowski, M.J. | Deposit date: | 2019-03-19 | Release date: | 2019-05-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Structure of lipoprotein lipase in complex with GPIHBP1. Proc.Natl.Acad.Sci.USA, 116, 2019
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8F86
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![BU of 8f86 by Molmil](/molmil-images/mine/8f86) | SIRT6 bound to an H3K9Ac nucleosome | Descriptor: | DNA (148-MER), Histone H2A type 1, Histone H2B, ... | Authors: | Markert, J, Whedon, S, Wang, Z, Cole, P, Farnung, L. | Deposit date: | 2022-11-21 | Release date: | 2023-04-05 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural Basis of Sirtuin 6-Catalyzed Nucleosome Deacetylation. J.Am.Chem.Soc., 145, 2023
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6WHO
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![BU of 6who by Molmil](/molmil-images/mine/6who) | Histone deacetylases complex with peptide macrocycles | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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6WHN
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![BU of 6whn by Molmil](/molmil-images/mine/6whn) | Histone deacetylases complex with peptide macrocycles | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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6WHQ
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![BU of 6whq by Molmil](/molmil-images/mine/6whq) | Histone deacetylases complex with peptide macrocycles | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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6WHZ
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![BU of 6whz by Molmil](/molmil-images/mine/6whz) | Histone deacetylases complex with peptide macrocycles | Descriptor: | Histone deacetylase 2, SODIUM ION, TETRAETHYLENE GLYCOL, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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6WI3
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![BU of 6wi3 by Molmil](/molmil-images/mine/6wi3) | Histone deacetylases complex with peptide macrocycles | Descriptor: | (SHA)W(DTH)DN(DSN)(DME)(DAS)K peptide macrocycle, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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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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7P2Y
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![BU of 7p2y by Molmil](/molmil-images/mine/7p2y) | F1Fo-ATP synthase from Acinetobacter baumannii (state 1) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | Authors: | Demmer, J.K, Phillips, B.P, Uhrig, O.L, Filloux, A, Allsopp, L.P, Bublitz, M, Meier, T. | Deposit date: | 2021-07-06 | Release date: | 2022-02-02 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structure of ATP synthase from ESKAPE pathogen Acinetobacter baumannii. Sci Adv, 8, 2022
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5KOQ
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![BU of 5koq by Molmil](/molmil-images/mine/5koq) | Discovery of TAK-272: A Novel, Potent and Orally Active Renin In-hibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-~{tert}-butyl-4-(furan-2-ylmethylamino)-~{N}-(2-methylpropyl)-~{N}-[(3~{S})-piperidin-3-yl]pyrimidine-5-carboxamide, DI(HYDROXYETHYL)ETHER, ... | Authors: | Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.-C, Lane, W. | Deposit date: | 2016-07-01 | Release date: | 2016-11-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-based design of a new series of N-(piperidin-3-yl)pyrimidine-5-carboxamides as renin inhibitors. Bioorg.Med.Chem., 24, 2016
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5HVP
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![BU of 5hvp by Molmil](/molmil-images/mine/5hvp) | CRYSTALLOGRAPHIC ANALYSIS OF A COMPLEX BETWEEN HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 PROTEASE AND ACETYL-PEPSTATIN AT 2.0-ANGSTROMS RESOLUTION | Descriptor: | ACETYL-*PEPSTATIN, CHLORIDE ION, HIV-1 PROTEASE | Authors: | Fitzgerald, P.M.D, Mckeever, B.M, Vanmiddlesworth, J.F, Springer, J.P. | Deposit date: | 1990-04-30 | Release date: | 1991-10-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystallographic analysis of a complex between human immunodeficiency virus type 1 protease and acetyl-pepstatin at 2.0-A resolution. J.Biol.Chem., 265, 1990
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8ELJ
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![BU of 8elj by Molmil](/molmil-images/mine/8elj) | SARS-CoV-2 spike glycoprotein in complex with the ICO-hu23 neutralizing antibody Fab fragment | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ICO-hu23 antibody Fab heavy chain, ... | Authors: | Yee, A.W, Morizumi, T, Kim, K, Kuo, A, Ernst, O.P. | Deposit date: | 2022-09-24 | Release date: | 2023-07-19 | Last modified: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Broadly neutralizing humanized SARS-CoV-2 antibody binds to a conserved epitope on Spike and provides antiviral protection through inhalation-based delivery in non-human primates. Plos Pathog., 19, 2023
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7P8U
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![BU of 7p8u by Molmil](/molmil-images/mine/7p8u) | Crystal Structure of leukotoxin LukE from Staphylococcus aureus in complex with p-cresyl sulfate | Descriptor: | (4-methylphenyl) hydrogen sulfate, DI(HYDROXYETHYL)ETHER, IMIDAZOLE, ... | Authors: | Lambey, P, Hoh, F, Peysson, F, Granier, S, Leyrat, C. | Deposit date: | 2021-07-23 | Release date: | 2022-04-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural insights into recognition of chemokine receptors by Staphylococcus aureus leukotoxins. Elife, 11, 2022
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5KX6
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![BU of 5kx6 by Molmil](/molmil-images/mine/5kx6) | The structure of Arabidopsis thaliana FUT1 Mutant R284K in complex with GDP | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, ... | Authors: | Alahuhta, P.M, Lunin, V.V. | Deposit date: | 2016-07-20 | Release date: | 2016-09-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural, mutagenic and in silico studies of xyloglucan fucosylation in Arabidopsis thaliana suggest a water-mediated mechanism. Plant J., 91, 2017
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