6OL8
| Crystal structure of NDM-12 metallo-beta-lactamase in complex with hydrolyzed ampicillin | Descriptor: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CHLORIDE ION, Metallo-beta-lactamase NDM-12, ... | Authors: | Raczynska, J.E, Imiolczyk, B, Jaskolski, M. | Deposit date: | 2019-04-16 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Flexible loops of New Delhi metallo-beta-lactamase modulate its activity towards different substrates. Int.J.Biol.Macromol., 158, 2020
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7ROA
| Crystal structure of EntV136 from Enterococcus faecalis | Descriptor: | EntV | Authors: | Stogios, P.J, Evdokimova, E, Kim, Y, Garsin, D, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2021-07-30 | Release date: | 2022-10-12 | Last modified: | 2023-01-25 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structural and functional analysis of EntV reveals a 12 amino acid fragment protective against fungal infections. Nat Commun, 13, 2022
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7RKT
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7RKW
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7RKR
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7REV
| Co-crystal structure of Chaetomium glucosidase with compound 3 | Descriptor: | (2R,3R,4R,5S)-1-[(4-{[4-(furan-2-yl)-2-methylanilino]methyl}phenyl)methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2021-07-13 | Release date: | 2022-08-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity. J.Med.Chem., 66, 2023
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6HJS
| Crystal structure of glutathione transferase Omega 1C from Trametes versicolor | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLUTATHIONE, Uncharacterized protein | Authors: | Schwartz, M, Favier, F, Didierjean, C. | Deposit date: | 2018-09-04 | Release date: | 2019-09-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.612 Å) | Cite: | Diversity of Omega Glutathione Transferases in mushroom-forming fungi revealed by phylogenetic, transcriptomic, biochemical and structural approaches. Fungal Genet Biol., 2021
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6NV7
| BACE1 in complex with a macrocyclic inhibitor | Descriptor: | (E)-N-(2-methylpropylidene)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-D-threoninamide, Beta-secretase 1 | Authors: | Yen, Y.C, Ghosh, A.K, Mesecar, A.D. | Deposit date: | 2019-02-04 | Release date: | 2019-10-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.132 Å) | Cite: | Development of an Efficient Enzyme Production and Structure-Based Discovery Platform for BACE1 Inhibitors. Biochemistry, 58, 2019
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6R8P
| Notum fragment 723 | Descriptor: | 2-(2-methylphenoxy)-~{N}-pyridin-3-yl-ethanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Zhao, Y, Jones, E.Y. | Deposit date: | 2019-04-02 | Release date: | 2019-05-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Discovery of 2-phenoxyacetamides as inhibitors of the Wnt-depalmitoleating enzyme NOTUM from an X-ray fragment screen. Medchemcomm, 10, 2019
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6R8Q
| STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A BENZOTRIAZOLE FRAGMENT | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ... | Authors: | Ruza, R.R, Vecchia, L, Jones, E.Y. | Deposit date: | 2019-04-02 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of 2-phenoxyacetamides as inhibitors of the Wnt-depalmitoleating enzyme NOTUM from an X-ray fragment screen. Medchemcomm, 10, 2019
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8GN5
| Designed pH-responsive P22 VLP | Descriptor: | Major capsid protein | Authors: | Kim, K.J, Kim, G, Bae, J.H, Song, J.J, Kim, H.S. | Deposit date: | 2022-08-23 | Release date: | 2024-01-31 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (4.02 Å) | Cite: | A pH-Responsive Virus-Like Particle as a Protein Cage for a Targeted Delivery. Adv Healthc Mater, 13, 2024
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8UTB
| Alpha7-nicotinic acetylcholine receptor bound to epibatidine and NS-1738 | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Burke, S.M, Noviello, C.M, Hibbs, R.E. | Deposit date: | 2023-10-30 | Release date: | 2024-02-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation. Cell, 187, 2024
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8V80
| Alpha7-nicotinic acetylcholine receptor bound to epibatidine and (-)-TQS | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3aR,4S,9bS)-4-(naphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, ... | Authors: | Burke, S.M, Noviello, C.M, Hibbs, R.E. | Deposit date: | 2023-12-04 | Release date: | 2024-02-21 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (2.34 Å) | Cite: | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation. Cell, 187, 2024
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8V86
| Alpha7-nicotinic acetylcholine receptor bound to GAT107 | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3aR,4S,9bS)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, ... | Authors: | Burke, S.M, Noviello, C.M, Hibbs, R.E. | Deposit date: | 2023-12-04 | Release date: | 2024-02-21 | Last modified: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (2.47 Å) | Cite: | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation. Cell, 187, 2024
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8V8A
| Alpha7-nicotinic acetylcholine receptor time resolved bound to epibatidine and PNU-120596 desensitized intermediate state | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Burke, S.M, Noviello, C.M, Hibbs, R.E. | Deposit date: | 2023-12-05 | Release date: | 2024-02-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (2.19 Å) | Cite: | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation. Cell, 187, 2024
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8V89
| Alpha7-nicotinic acetylcholine receptor time resolved resting state | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Burke, S.M, Noviello, C.M, Hibbs, R.E. | Deposit date: | 2023-12-05 | Release date: | 2024-02-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (2.53 Å) | Cite: | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation. Cell, 187, 2024
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8UZJ
| Alpha7-nicotinic acetylcholine receptor bound to epibatidine and ivermectin | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, ... | Authors: | Burke, S.M, Noviello, C.M, Hibbs, R.E. | Deposit date: | 2023-11-15 | Release date: | 2024-02-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation. Cell, 187, 2024
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5NIU
| Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor | Descriptor: | (2~{R})-2-[[2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-5-methyl-phenyl]methylamino]-3-oxidanyl-propanoic acid, 1,2-ETHANEDIOL, Programmed cell death 1 ligand 1 | Authors: | Zak, K.M, Grudnik, P, Skalniak, L, Dubin, G, Holak, T.A. | Deposit date: | 2017-03-27 | Release date: | 2017-12-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Small-molecule inhibitors of PD-1/PD-L1 immune checkpoint alleviate the PD-L1-induced exhaustion of T-cells. Oncotarget, 8, 2017
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8V8C
| Alpha7-nicotinic acetylcholine receptor time resolved bound to epibatidine and PNU-120596 asymmetric state 1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Burke, S.M, Noviello, C.M, Hibbs, R.E. | Deposit date: | 2023-12-05 | Release date: | 2024-02-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation. Cell, 187, 2024
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7QIR
| CRYSTAL STRUCTURE OF THE P1 monofluorethylglycine(MfeGly) BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX | Descriptor: | Chymotrypsin A chain A, Chymotrypsin A chain B, Chymotrypsin A chain C, ... | Authors: | Dimos, N, Leppkes, J, Koksch, B, Wahl, M.C, Loll, B. | Deposit date: | 2021-12-15 | Release date: | 2022-03-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fluorine-induced polarity increases inhibitory activity of BPTI towards chymotrypsin. Rsc Chem Biol, 3, 2022
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8V88
| Alpha7-nicotinic acetylcholine receptor bound to epibatidine and GAT107 | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3aR,4S,9bS)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, ... | Authors: | Burke, S.M, Noviello, C.M, Hibbs, R.E. | Deposit date: | 2023-12-05 | Release date: | 2024-02-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation. Cell, 187, 2024
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8UT1
| Alpha7-nicotinic acetylcholine receptor bound to epibatidine | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Burke, S.M, Hibbs, R.E, Noviello, C.M. | Deposit date: | 2023-10-30 | Release date: | 2024-02-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation. Cell, 187, 2024
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8V82
| Alpha7-nicotinic acetylcholine receptor bound to epibatidine and PNU-120596 | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Burke, S.M, Noviello, C.M, Hibbs, R.E. | Deposit date: | 2023-12-04 | Release date: | 2024-02-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (2.61 Å) | Cite: | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation. Cell, 187, 2024
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6PS1
| XFEL beta2 AR structure by ligand exchange from Alprenolol to Timolol. | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol, CHOLESTEROL, ... | Authors: | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | Deposit date: | 2019-07-12 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers. Iucrj, 6, 2019
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8V8D
| Alpha7-nicotinic acetylcholine receptor time resolved bound to epibatidine and PNU-120596 asymmetric state 2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Burke, S.M, Noviello, C.M, Hibbs, R.E. | Deposit date: | 2023-12-05 | Release date: | 2024-02-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.31 Å) | Cite: | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation. Cell, 187, 2024
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