8HRF
 
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8V8W
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8OF2
 | | Trypanosoma brucei pteridine reductase 1 (TbPTR1) in complex with 2,4,6 triamminopyrimidine (TAP) | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Tassone, G, Landi, G, Mangani, S, Pozzi, C. | | Deposit date: | 2023-03-13 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | The discovery of aryl-2-nitroethyl triamino pyrimidines as anti-Trypanosoma brucei agents.
Eur.J.Med.Chem., 264, 2023
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8BV3
 | | Bacillus subtilis DnaA domain III structure | | Descriptor: | Chromosomal replication initiator protein DnaA, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Pintar, S, Hubbard, J.A. | | Deposit date: | 2022-12-01 | | Release date: | 2023-12-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | The bacterial replication origin BUS promotes nucleobase capture.
Nat Commun, 14, 2023
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8BU0
 | | Crystal structure of an 8 repeat consensus TPR superhelix with calcium | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Liutkus, M, Rojas, A.L, Cortajarena, A.L. | | Deposit date: | 2022-11-30 | | Release date: | 2023-12-13 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Diverse crystalline protein scaffolds through metal-dependent polymorphism.
Protein Sci., 33, 2024
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8BS4
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8BSU
 | | Crystal structure of the kainate receptor GluK3-H523A ligand binding domain in complex with kainate and the positive allosteric modulator BPAM344 at 2.9A resolution | | Descriptor: | 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, 4-cyclopropyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide, ACETATE ION, ... | | Authors: | Venskutonyte, R, Frydenvang, K, Kastrup, J.S. | | Deposit date: | 2022-11-26 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Positive allosteric modulation of homomeric kainate receptors GluK1-3
To Be Published
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8BST
 | | Crystal structure of the kainate receptor GluK3-H523A ligand binding domain in complex with kainate at 2.7A resolution | | Descriptor: | 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, ACETATE ION, CHLORIDE ION, ... | | Authors: | Venskutonyte, R, Frydenvang, K, Kastrup, J.S. | | Deposit date: | 2022-11-26 | | Release date: | 2023-12-13 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Small-molecule positive allosteric modulation of homomeric kainate receptors GluK1-3: development of screening assays and insight into GluK3 structure.
Febs J., 291, 2024
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7YRG
 | | histone methyltransferase | | Descriptor: | DNA (146-MER), Histone H2A.Z, Histone H2B 1.1, ... | | Authors: | Li, H, Wang, W.Y. | | Deposit date: | 2022-08-09 | | Release date: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structural insight into H4K20 methylation on H2A.Z-nucleosome by SUV420H1.
Mol.Cell, 83, 2023
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8QBC
 | | Reactive amide intermediate in sperm whale myoglobin mutant H64V V68A | | Descriptor: | ACETATE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Tinzl, M, Mittl, P.R.E, Hilvert, D. | | Deposit date: | 2023-08-24 | | Release date: | 2023-12-13 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | Myoglobin-Catalyzed Azide Reduction Proceeds via an Anionic Metal Amide Intermediate.
J.Am.Chem.Soc., 146, 2024
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8QBA
 | | Sperm whale myoblogin mutant H64V V68A in complex with glycine ethyl ester | | Descriptor: | ACETATE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Tinzl, M, Mittl, P.R.E, Hilvert, D. | | Deposit date: | 2023-08-24 | | Release date: | 2023-12-13 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Myoglobin-Catalyzed Azide Reduction Proceeds via an Anionic Metal Amide Intermediate.
J.Am.Chem.Soc., 146, 2024
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8Q6M
 | | Human SOD1 low dose data collecton | | Descriptor: | ACETATE ION, COPPER (II) ION, SULFATE ION, ... | | Authors: | Antonyuk, S.V, Hossain, A, Agar, J.N, Hasnain, S.S. | | Deposit date: | 2023-08-14 | | Release date: | 2023-12-13 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Evaluating protein cross-linking as a therapeutic strategy to stabilize SOD1 variants in a mouse model of familial ALS.
Plos Biol., 22, 2024
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8CZP
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8EHN
 | | PRRSV-1 PLP2 domain | | Descriptor: | ACETATE ION, Papain-like protease 2, ZINC ION | | Authors: | Bailey-Elkin, B.A, Mark, B.L. | | Deposit date: | 2022-09-14 | | Release date: | 2023-12-06 | | Last modified: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Demonstrating the importance of porcine reproductive and respiratory syndrome virus papain-like protease 2 deubiquitinating activity in viral replication by structure-guided mutagenesis.
Plos Pathog., 19, 2023
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8QQ4
 | | LTA4 hydrolase in complex with compound 6(R) | | Descriptor: | (2R)-2-azanyl-3-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]propan-1-ol, ACETATE ION, IMIDAZOLE, ... | | Authors: | Srinivas, H. | | Deposit date: | 2023-10-03 | | Release date: | 2023-12-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of Amino Alcohols as Highly Potent, Selective, and Orally Efficacious Inhibitors of Leukotriene A4 Hydrolase.
J.Med.Chem., 66, 2023
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7XYF
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8Q6K
 | | Human IgD Fab in complex with an orthosteric inhibitor of Phl p 7 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Human IgD Fab heavy chain, ... | | Authors: | Davies, A.M, Vester, S.K, McDonnell, J.M. | | Deposit date: | 2023-08-11 | | Release date: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Expanding the Anti-Phl p 7 Antibody Toolkit: An Anti-Idiotype Nanobody Inhibitor.
Antibodies, 12, 2023
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7XYG
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8QPN
 | | LTA4 hydrolase in complex with compound 6(S) | | Descriptor: | (2S)-2-azanyl-3-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]propan-1-ol, ACETATE ION, IMIDAZOLE, ... | | Authors: | Srinivas, H. | | Deposit date: | 2023-10-02 | | Release date: | 2023-12-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Amino Alcohols as Highly Potent, Selective, and Orally Efficacious Inhibitors of Leukotriene A4 Hydrolase.
J.Med.Chem., 66, 2023
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8QOW
 | | LTA4 hydrolase in complex with compound 2(S) | | Descriptor: | (2~{S})-2-azanyl-3-[3-[4-[3-fluoranyl-5-(1~{H}-pyrazol-5-yl)pyridin-2-yl]oxyphenyl]pyrazol-1-yl]propan-1-ol, ACETATE ION, IMIDAZOLE, ... | | Authors: | Srinivas, H. | | Deposit date: | 2023-09-29 | | Release date: | 2023-12-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Discovery of Amino Alcohols as Highly Potent, Selective, and Orally Efficacious Inhibitors of Leukotriene A4 Hydrolase.
J.Med.Chem., 66, 2023
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8FXR
 | | Structure of neck with portal vertex of capsid of Agrobacterium phage Milano | | Descriptor: | Collar sheath protein, gp13, Linking protein 1, ... | | Authors: | Sonani, R.R, Wang, F, Esteves, N.C, Kelly, R.J, Sebastian, A, Kreutzberger, M.A.B, Leiman, P.G, Scharf, B.E, Egelman, E.H. | | Deposit date: | 2023-01-25 | | Release date: | 2023-12-06 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Neck and capsid architecture of the robust Agrobacterium phage Milano.
Commun Biol, 6, 2023
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8FWG
 | | Structure of neck and portal vertex of Agrobacterium phage Milano, C5 symmetry | | Descriptor: | Collar sheath protein, gp13, Linking protein 1, ... | | Authors: | Sonani, R.R, Wang, F, Esteves, N.C, Kelly, R.J, Sebastian, A, Kreutzberger, M.A.B, Leiman, P.G, Scharf, B.E, Egelman, E.H. | | Deposit date: | 2023-01-22 | | Release date: | 2023-12-06 | | Method: | ELECTRON MICROSCOPY (3.45 Å) | | Cite: | Neck and capsid architecture of the robust Agrobacterium phage Milano.
Commun Biol, 6, 2023
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7GQQ
 | | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1198183601 | | Descriptor: | 5-chloro-1H-imidazole, DIMETHYL SULFOXIDE, Protease 3C | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-24 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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7GQO
 | | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z3227118860 | | Descriptor: | 5-iodo-1H-pyrazole, Protease 3C | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-24 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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7GQN
 | | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1201621250 | | Descriptor: | 5-iodo-1H-imidazole, Protease 3C | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-24 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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