9EUU
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![BU of 9euu by Molmil](/molmil-images/mine/9euu) | Structure of recombinant alpha-synuclein fibrils 1B capable of seeding GCIs in vivo | Descriptor: | Alpha-synuclein | Authors: | Burger, D, Kashyrina, M, Lewis, A, De Nuccio, F, Mohammed, I, de La Seigliere, H, van den Heuvel, L, Feuillie, C, Verchere, J, Berbon, M, Arotcarena, M, Retailleau, A, Bezard, E, Laferriere, F, Loquet, A, Bousset, L, Baron, T, Lofrumento, D.D, De Giorgi, F, Stahlberg, H, Ichas, F. | Deposit date: | 2024-03-28 | Release date: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (1.93 Å) | Cite: | Multiple System Atrophy: Insights from aSyn Fibril Structure To Be Published
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7ZAV
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![BU of 7zav by Molmil](/molmil-images/mine/7zav) | GPC3-Unc5D octamer structure and role in cell migration | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glypican-3 | Authors: | Akkermans, O, Delloye-Bourgeois, C, Peregrina, C, Carrasquero, M, Kokolaki, M, Berbeira-Santana, M, Chavent, M, Reynaud, F, Ritu, R, Agirre, J, Aksu, M, White, E, Lowe, E, Ben Amar, D, Zaballa, S, Huo, J, Pakos, I, McCubbin, P, Comoletti, D, Owens, R, Robinson, C, Castellani, V, del Toro, D, Seiradake, E. | Deposit date: | 2022-03-22 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | GPC3-Unc5 receptor complex structure and role in cell migration. Cell, 185, 2022
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7ZA1
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![BU of 7za1 by Molmil](/molmil-images/mine/7za1) | GPC3-Unc5D octamer structure and role in cell migration | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glypican-3, ... | Authors: | Akkermans, O, Delloye-Bourgeois, C, Peregrina, C, Carrasquero, M, Kokolaki, M, Berbeira-Santana, M, Chavent, M, Reynaud, F, Ritu, R, Agirre, J, Aksu, M, White, E, Lowe, E, Ben Amar, D, Zaballa, S, Huo, J, Pakos, I, McCubbin, P, Comoletti, D, Owens, R, Robinson, C, Castellani, V, del Toro, D, Seiradake, E. | Deposit date: | 2022-03-21 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (4.1 Å) | Cite: | GPC3-Unc5 receptor complex structure and role in cell migration. Cell, 185, 2022
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7ZA3
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![BU of 7za3 by Molmil](/molmil-images/mine/7za3) | GPC3-Unc5D octamer structure and role in cell migration | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glypican-3, ... | Authors: | Akkermans, O, Delloye-Bourgeois, C, Peregrina, C, Carrasquero, M, Kokolaki, M, Berbeira-Santana, M, Chavent, M, Reynaud, F, Ritu, R, Agirre, J, Aksu, M, White, E, Lowe, E, Ben Amar, D, Zaballa, S, Huo, J, Pakos, I, McCubbin, P, Comoletti, D, Owens, R, Robinson, C, Castellani, V, del Toro, D, Seiradake, E. | Deposit date: | 2022-03-21 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | GPC3-Unc5 receptor complex structure and role in cell migration. Cell, 185, 2022
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7ZAW
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![BU of 7zaw by Molmil](/molmil-images/mine/7zaw) | GPC3-Unc5D octamer structure and role in cell migration | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glypican-3 | Authors: | Akkermans, O, Delloye-Bourgeois, C, Peregrina, C, Carrasquero, M, Kokolaki, M, Berbeira-Santana, M, Chavent, M, Reynaud, F, Ritu, R, Agirre, J, Aksu, M, White, E, Lowe, E, Ben Amar, D, Zaballa, S, Huo, J, Pakos, I, McCubbin, P, Comoletti, D, Owens, R, Robinson, C, Castellani, V, del Toro, D, Seiradake, E. | Deposit date: | 2022-03-22 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | GPC3-Unc5 receptor complex structure and role in cell migration. Cell, 185, 2022
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7ZA2
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![BU of 7za2 by Molmil](/molmil-images/mine/7za2) | GPC3-Unc5D octamer structure and role in cell migration | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glypican-3, ... | Authors: | Akkermans, O, Delloye-Bourgeois, C, Peregrina, C, Carrasquero, M, Kokolaki, M, Berbeira-Santana, M, Chavent, M, Reynaud, F, Ritu, R, Agirre, J, Aksu, M, White, E, Lowe, E, Ben Amar, D, Zaballa, S, Huo, J, Pakos, I, McCubbin, P, Comoletti, D, Owens, R, Robinson, C, Castellani, V, del Toro, D, Seiradake, E. | Deposit date: | 2022-03-21 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (4.6 Å) | Cite: | GPC3-Unc5 receptor complex structure and role in cell migration. Cell, 185, 2022
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7Z58
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![BU of 7z58 by Molmil](/molmil-images/mine/7z58) | Crystal structure of human Cathepsin L in complex with covalently bound Calpeptin | Descriptor: | 1,2-ETHANEDIOL, Calpeptin, Cathepsin L, ... | Authors: | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | Deposit date: | 2022-03-08 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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7Z3T
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![BU of 7z3t by Molmil](/molmil-images/mine/7z3t) | Crystal structure of apo human Cathepsin L | Descriptor: | 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | Authors: | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | Deposit date: | 2022-03-02 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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7ZAK
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![BU of 7zak by Molmil](/molmil-images/mine/7zak) | Crystal structure of HLA-DP (DPA1*02:01-DPB1*01:01) in complex with a peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, MAGNESIUM ION, ... | Authors: | Racle, J, Guillaume, P, Larabi, A, Lau, K, Pojer, F, Gfeller, D. | Deposit date: | 2022-03-22 | Release date: | 2023-03-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Machine learning predictions of MHC-II specificities reveal alternative binding mode of class II epitopes. Immunity, 56, 2023
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9BCM
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![BU of 9bcm by Molmil](/molmil-images/mine/9bcm) | |
9AZA
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![BU of 9aza by Molmil](/molmil-images/mine/9aza) | Crystal structure of LolTv4 | Descriptor: | Aminotransferase, class V/Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Gao, J, Hai, Y. | Deposit date: | 2024-03-10 | Release date: | 2024-07-17 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Enzymatic Synthesis of Unprotected alpha , beta-Diamino Acids via Direct Asymmetric Mannich Reactions. J.Am.Chem.Soc., 146, 2024
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9AZB
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![BU of 9azb by Molmil](/molmil-images/mine/9azb) | Crystal structure of LolTv5 | Descriptor: | Aminotransferase, class V/Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Gao, J, Hai, Y. | Deposit date: | 2024-03-11 | Release date: | 2024-07-17 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Enzymatic Synthesis of Unprotected alpha , beta-Diamino Acids via Direct Asymmetric Mannich Reactions. J.Am.Chem.Soc., 146, 2024
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9EQF
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![BU of 9eqf by Molmil](/molmil-images/mine/9eqf) | Crystal structure of the L-arginine hydroxylase VioC MeHis316, bound to Fe(II), L-arginine, and succinate | Descriptor: | 1,2-ETHANEDIOL, ARGININE, Alpha-ketoglutarate-dependent L-arginine hydroxylase, ... | Authors: | Hardy, F.J. | Deposit date: | 2024-03-21 | Release date: | 2024-07-31 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Probing Ferryl Reactivity in a Nonheme Iron Oxygenase Using an Expanded Genetic Code. Acs Catalysis, 14, 2024
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9F18
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9EM1
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![BU of 9em1 by Molmil](/molmil-images/mine/9em1) | Human pyridoxal phosphatase in complex with 7,8-dihydroxyflavone and phosphate | Descriptor: | 7,8-bis(oxidanyl)-2-phenyl-chromen-4-one, Chronophin, GLYCEROL, ... | Authors: | Brenner, M, Gohla, A, Schindelin, H. | Deposit date: | 2024-03-07 | Release date: | 2024-06-12 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 7,8-Dihydroxyflavone is a direct inhibitor of human and murine pyridoxal phosphatase. Elife, 13, 2024
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9FTW
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7ZF0
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![BU of 7zf0 by Molmil](/molmil-images/mine/7zf0) | Crystal structure of UGT85B1 from Sorghum bicolor in complex with UDP and p-hydroxymandelonitrile | Descriptor: | (2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILE, 1,2-ETHANEDIOL, Cyanohydrin beta-glucosyltransferase, ... | Authors: | Putkaradze, N, Fredslund, F, Welner, D.H. | Deposit date: | 2022-03-31 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-guided engineering of key amino acids in UGT85B1 controlling substrate and stereo-specificity in aromatic cyanogenic glucoside biosynthesis. Plant J., 111, 2022
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6E5G
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7ZBD
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![BU of 7zbd by Molmil](/molmil-images/mine/7zbd) | HaloTag with TRaQ-G ligand | Descriptor: | (10R)-7-azanyl-N-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-2'-cyano-5,5-dimethyl-3-(methylamino)-1'-oxidanylidene-spiro[benzo[b][1]benzosiline-10,3'-isoindole]-5'-carboxamide, CHLORIDE ION, GLYCEROL, ... | Authors: | Emmert, S, Rivera-Fuentes, P, Pojer, F, Lau, K. | Deposit date: | 2022-03-23 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | A locally activatable sensor for robust quantification of organellar glutathione. Nat.Chem., 15, 2023
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7ZBA
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![BU of 7zba by Molmil](/molmil-images/mine/7zba) | HaloTag with Me-TRaQ-G ligand | Descriptor: | 4-(7-azanyl-5,5-dimethyl-3-methylimino-benzo[b][1]benzosilin-10-yl)-N-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-3-methyl-benzamide, CHLORIDE ION, GLYCEROL, ... | Authors: | Emmert, S, Rivera-Fuentes, P, Pojer, F, Lau, K. | Deposit date: | 2022-03-23 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | A locally activatable sensor for robust quantification of organellar glutathione. Nat.Chem., 15, 2023
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7ZBB
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![BU of 7zbb by Molmil](/molmil-images/mine/7zbb) | HaloTag with TRaQ-G-ctrl ligand | Descriptor: | (E)-[7-azanyl-10-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-5,5-dimethyl-benzo[b][1]benzosilin-3-ylidene]-methyl-azanium, CHLORIDE ION, GLYCEROL, ... | Authors: | Emmert, S, Rivera-Fuentes, P, Pojer, F, Lau, K. | Deposit date: | 2022-03-23 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A locally activatable sensor for robust quantification of organellar glutathione. Nat.Chem., 15, 2023
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9WGA
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![BU of 9wga by Molmil](/molmil-images/mine/9wga) | |
4X6T
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![BU of 4x6t by Molmil](/molmil-images/mine/4x6t) | M.tuberculosis betalactamase complexed with inhibitor EC19 | Descriptor: | 3-[(2R)-2-(dihydroxyboranyl)-2-{[(2R)-2-{[(4-ethyl-2,3-dioxo-3,4-dihydropyrazin-1(2H)-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}ethyl]benzoic acid, Beta-lactamase, PHOSPHATE ION | Authors: | Hazra, S. | Deposit date: | 2014-12-09 | Release date: | 2015-12-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Inhibiting the beta-Lactamase of Mycobacterium tuberculosis (Mtb) with Novel Boronic Acid Transition-State Inhibitors (BATSIs). ACS Infect Dis, 1, 2015
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6PLN
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7R3U
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![BU of 7r3u by Molmil](/molmil-images/mine/7r3u) | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | Descriptor: | 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Snee, M, Katariya, M, Leys, D, Levy, C. | Deposit date: | 2022-02-07 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
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