7NT9
 
 | | Trimeric SARS-CoV-2 spike ectodomain in complex with biliverdin (closed conformation) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ... | | Authors: | Rosa, A, Pye, V.E, Nans, A, Cherepanov, P. | | Deposit date: | 2021-03-09 | | Release date: | 2021-04-28 | | Last modified: | 2021-06-09 | | Method: | ELECTRON MICROSCOPY (3.36 Å) | | Cite: | SARS-CoV-2 can recruit a heme metabolite to evade antibody immunity.
Sci Adv, 7, 2021
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7NTA
 | | Trimeric SARS-CoV-2 spike ectodomain in complex with biliverdin (one RBD erect) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ... | | Authors: | Rosa, A, Pye, V.E, Nans, A, Cherepanov, P. | | Deposit date: | 2021-03-09 | | Release date: | 2021-04-28 | | Last modified: | 2021-06-09 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | SARS-CoV-2 can recruit a heme metabolite to evade antibody immunity.
Sci Adv, 7, 2021
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7NTC
 | | Trimeric SARS-CoV-2 spike ectodomain bound to P008_056 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ... | | Authors: | Rosa, A, Pye, V.E, Nans, A, Cherepanov, P. | | Deposit date: | 2021-03-09 | | Release date: | 2021-04-28 | | Last modified: | 2021-06-09 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | SARS-CoV-2 can recruit a heme metabolite to evade antibody immunity.
Sci Adv, 7, 2021
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6XB7
 | | IRES-targeting Small Molecule Inhibits Enterovirus 71 Replication via Allosteric Stabilization of a Ternary Complex | | Descriptor: | 3-amino-N-(diaminomethylidene)-5-(dimethylamino)-6-(phenylethynyl)pyrazine-2-carboxamide, RNA (41-MER) | | Authors: | Tolbert, B.S, Davila, J, Sugarman, A.L, Chiu, L.Y. | | Deposit date: | 2020-06-05 | | Release date: | 2020-09-02 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | IRES-targeting small molecule inhibits enterovirus 71 replication via allosteric stabilization of a ternary complex.
Nat Commun, 11, 2020
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7BHK
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6Q37
 | | Complex of Arginase 2 with Example 23 | | Descriptor: | 1,2-ETHANEDIOL, 3-[(3~{S},4~{R})-4-azanyl-4-carboxy-pyrrolidin-3-yl]propyl-tris(oxidanyl)boranuide, Arginase-2, ... | | Authors: | Podjarny, A.D, Van Zandt, M.C, Cousido-Siah, A. | | Deposit date: | 2018-12-03 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.211 Å) | | Cite: | Discovery ofN-Substituted 3-Amino-4-(3-boronopropyl)pyrrolidine-3-carboxylic Acids as Highly Potent Third-Generation Inhibitors of Human Arginase I and II.
J.Med.Chem., 62, 2019
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6QLJ
 | | Crystal structure of F181Q UbiX in complex with an oxidised N5-C1' adduct derived from DMAP | | Descriptor: | 1-deoxy-1-[7,8-dimethyl-5-(3-methylbut-2-en-1-yl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono -D-ribitol, Flavin prenyltransferase UbiX, PHOSPHATE ION, ... | | Authors: | Marshall, S.A, Leys, D. | | Deposit date: | 2019-02-01 | | Release date: | 2019-06-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry.
Nat Commun, 10, 2019
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7BHL
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8DYG
 | | IL17A homodimer bound to Compound 7 | | Descriptor: | (5P)-2-hydroxy-5-(6-methylquinolin-5-yl)benzoic acid, Interleukin-17A | | Authors: | Argiriadi, M.A, Goedken, E.R. | | Deposit date: | 2022-08-04 | | Release date: | 2022-09-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site.
Sci Rep, 12, 2022
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7OC9
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8FAB
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6O3J
 | | Crystal structure of the Fab fragment of the human HIV-1 neutralizing antibody PGZL1 in complex with its MPER peptide epitope (region 671-683 of HIV-1 gp41) and phosphatidic acid (06:0 PA) | | Descriptor: | (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, (4S)-2-METHYL-2,4-PENTANEDIOL, MPER peptide, ... | | Authors: | Irimia, A, Wilson, I.A. | | Deposit date: | 2019-02-26 | | Release date: | 2019-12-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.416 Å) | | Cite: | An MPER antibody neutralizes HIV-1 using germline features shared among donors.
Nat Commun, 10, 2019
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7P67
 | | Globular glial tauopathy type 2 tau filament | | Descriptor: | Microtubule-associated protein tau | | Authors: | Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W. | | Deposit date: | 2021-07-15 | | Release date: | 2021-09-15 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structure-based classification of tauopathies.
Nature, 598, 2021
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7P6E
 | | Argyrophilic grain disease type 2 tau filament | | Descriptor: | Microtubule-associated protein tau | | Authors: | Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W. | | Deposit date: | 2021-07-15 | | Release date: | 2021-09-15 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structure-based classification of tauopathies.
Nature, 598, 2021
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7P6D
 | | Argyrophilic grain disease type 1 tau filament | | Descriptor: | Microtubule-associated protein tau | | Authors: | Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W. | | Deposit date: | 2021-07-15 | | Release date: | 2021-09-15 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structure-based classification of tauopathies.
Nature, 598, 2021
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7P6A
 | | Limbic-predominant neuronal inclusion body 4R tauopathy type 1a tau filament | | Descriptor: | Microtubule-associated protein tau | | Authors: | Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W. | | Deposit date: | 2021-07-15 | | Release date: | 2021-09-15 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (1.9 Å) | | Cite: | Structure-based classification of tauopathies.
Nature, 598, 2021
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6Q50
 | | Structure of MPT-4, a mannose phosphorylase from Leishmania mexicana, in complex with phosphate ion | | Descriptor: | 1,2-ETHANEDIOL, MPT-4, PHOSPHATE ION, ... | | Authors: | Sobala, L.F, Males, A, Bastidas, L.M, Ward, T, Sernee, M.F, Ralton, J.E, Nero, T.L, Cobbold, S, Kloehn, J, Viera-Lara, M, Stanton, L, Hanssen, E, Parker, M.W, Williams, S.J, McConville, M.J, Davies, G.J. | | Deposit date: | 2018-12-06 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A Family of Dual-Activity Glycosyltransferase-Phosphorylases Mediates Mannogen Turnover and Virulence in Leishmania Parasites.
Cell Host Microbe, 26, 2019
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7BCS
 | | ASCT2 in the presence of the inhibitor Lc-BPE (position "down") in the outward-open conformation. | | Descriptor: | (2~{S},4~{S})-4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid, Neutral amino acid transporter B(0) | | Authors: | Garibsingh, R.A, Ndaru, E, Garaeva, A.A, Shi, Y, Zielewicz, L, Bonomi, M, Slotboom, D.J, Paulino, C, Grewer, C, Schlessinger, A. | | Deposit date: | 2020-12-21 | | Release date: | 2021-09-22 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.43 Å) | | Cite: | Rational design of ASCT2 inhibitors using an integrated experimental-computational approach.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7P65
 | | Progressive supranuclear palsy tau filament | | Descriptor: | Microtubule-associated protein tau | | Authors: | Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W. | | Deposit date: | 2021-07-15 | | Release date: | 2021-09-15 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structure-based classification of tauopathies.
Nature, 598, 2021
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7P66
 | | Globular glial tauopathy type 1 tau filament | | Descriptor: | Microtubule-associated protein tau | | Authors: | Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W. | | Deposit date: | 2021-07-15 | | Release date: | 2021-09-15 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structure-based classification of tauopathies.
Nature, 598, 2021
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7BMK
 | | ATP-Competitive Partial Antagonists-'PAIR's-Rheostatically Modulate IRE1alpha's Kinase Helix-alphaC to Segregate its RNase-Mediated Biological Outputs | | Descriptor: | 1,2-ETHANEDIOL, 2,2,2-tris(fluoranyl)-~{N}-[4-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxynaphthalen-1-yl]ethanesulfonamide, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Feldman, H.C, Ghosh, R, Auyeung, V, Mueller, J.L, Vidadala, V.N, Olivier, A, Backes, B.J, Zikherman, J, Papa, F.R, Maly, D.J. | | Deposit date: | 2021-01-20 | | Release date: | 2021-09-29 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | ATP-competitive partial antagonists of the IRE1 alpha RNase segregate outputs of the UPR.
Nat.Chem.Biol., 17, 2021
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7P6C
 | | Limbic-predominant neuronal inclusion body 4R tauopathy type 2 tau filament | | Descriptor: | Microtubule-associated protein tau | | Authors: | Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W. | | Deposit date: | 2021-07-15 | | Release date: | 2021-09-15 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Structure-based classification of tauopathies.
Nature, 598, 2021
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7P6B
 | | Limbic-predominant neuronal inclusion body 4R tauopathy type 1b tau filament | | Descriptor: | Microtubule-associated protein tau | | Authors: | Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W. | | Deposit date: | 2021-07-15 | | Release date: | 2021-09-15 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.2 Å) | | Cite: | Structure-based classification of tauopathies.
Nature, 598, 2021
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8DYH
 | | IL17A homodimer bound to Compound 6 | | Descriptor: | (5P)-N-benzyl-6-chloro-5-(quinolin-5-yl)pyridin-3-amine, GLYCEROL, Interleukin-17A | | Authors: | Argiriadi, M.A, Goedken, E.R. | | Deposit date: | 2022-08-04 | | Release date: | 2022-09-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site.
Sci Rep, 12, 2022
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6NZJ
 | | Structural Analysis of a Nitrogenase Iron Protein from Methanosarcina acetivorans: Implications for CO2 Capture by a Surface-Exposed [Fe4S4] Cluster | | Descriptor: | IRON/SULFUR CLUSTER, Nitrogenase iron protein, SULFATE ION | | Authors: | Rettberg, L.A, Kang, W, Stiebritz, M.T, Hiller, C.J, Lee, C.C, Liedtke, J, Ribbe, M.W, Hu, Y. | | Deposit date: | 2019-02-13 | | Release date: | 2019-06-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Analysis of a Nitrogenase Iron Protein from Methanosarcina acetivorans: Implications for CO 2 Capture by a Surface-Exposed [Fe 4 S 4 ] Cluster.
Mbio, 10, 2019
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