8V9Z
 
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8V9Y
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8V9X
 | | X-ray crystal structure of JGFN4 complex with fentanyl | | Descriptor: | 1,2-ETHANEDIOL, JGFN4, N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide | | Authors: | Moller, N, Shi, K, Aihara, H. | | Deposit date: | 2023-12-10 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Identification and biophysical characterization of a novel domain-swapped camelid antibody specific for fentanyl.
J.Biol.Chem., 300, 2024
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8V9W
 | | X-ray crystal structure of JGFN4 complexed with fentanyl | | Descriptor: | 1,2-ETHANEDIOL, JGFN4, N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide | | Authors: | Moller, N, Shi, K, Aihara, H. | | Deposit date: | 2023-12-10 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Identification and biophysical characterization of a novel domain-swapped camelid antibody specific for fentanyl.
J.Biol.Chem., 300, 2024
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8V9U
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8V9Q
 | | Crystal structure of mGalNAc-T1 in complex with the mucin glycopeptide Muc5AC-13, Mn2+, and UDP. | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Samara, N.L, Collette, A.M. | | Deposit date: | 2023-12-08 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | An unusual dual sugar-binding lectin domain controls the substrate specificity of a mucin-type O-glycosyltransferase.
Sci Adv, 10, 2024
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8V9P
 | | Proteus vulgaris tryptophan indole-lyase complexed with (3S)-dioxindolyl-L-alanine | | Descriptor: | (2~{E})-2-[(~{Z})-[2-methyl-3-oxidanyl-5-[[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxymethyl]-1~{H}-pyridin-4-ylidene]methyl]imino-3-[(3~{S})-3-oxidanyl-2-oxidanylidene-1~{H}-indol-3-yl]propanoic acid, DIMETHYL SULFOXIDE, POTASSIUM ION, ... | | Authors: | Phillips, R.S. | | Deposit date: | 2023-12-08 | | Release date: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Proteus vulgaris tryptophan indole-lyase complexed with L-ethionine
To Be Published
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8V9O
 | | Imaging scaffold engineered to bind the therapeutic protein target BARD1 | | Descriptor: | CALCIUM ION, Tetrahedral Nanocage Cage Component Fused to Anti-BARD1 Darpin, Tetrahedral Nanocage Cage, ... | | Authors: | Agdanowski, M.P, Castells-Graells, R, Sawaya, M.R, Yeates, T.O, Arbing, M.A. | | Deposit date: | 2023-12-08 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (3.81 Å) | | Cite: | X-ray crystal structure of a designed rigidified imaging scaffold in the ligand-free conformation.
Acta Crystallogr.,Sect.F, 80, 2024
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8V9M
 | | Human Ornithine Aminotransferase cocrystallized with its inhibitor, (R)-3-amino-5,5-difluorocyclohex-1-ene-1-carboxylic acid. | | Descriptor: | 3-fluoro-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]benzoic acid, GLYCEROL, Ornithine aminotransferase, ... | | Authors: | Vargas, A.L, Devitt, A, Kaley, N, Silverman, R, Liu, D. | | Deposit date: | 2023-12-08 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Design, Synthesis, and Mechanistic Studies of ( R )-3-Amino-5,5-difluorocyclohex-1-ene-1-carboxylic Acid as an Inactivator of Human Ornithine Aminotransferase.
Acs Chem.Biol., 19, 2024
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8V9B
 | | Lipoprotein(a) Kringle IV domain 7 - Lp(a) KIV7 in complex with LY3441732 | | Descriptor: | (2S,2'S)-3,3'-[carbonylbis(azanediyl-3,1-phenylene)]bis{2-[(3R)-pyrrolidin-1-ium-3-yl]propanoate}, Apolipoprotein(a), MAGNESIUM ION, ... | | Authors: | Hendle, J, Weichert, K, Sauder, J.M. | | Deposit date: | 2023-12-07 | | Release date: | 2024-05-08 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Discovery of potent small-molecule inhibitors of lipoprotein(a) formation.
Nature, 629, 2024
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8V9A
 | | GII.NA1 Loreto 1257 norovirus protruding domain | | Descriptor: | 1,2-ETHANEDIOL, Capsid protein VP1 | | Authors: | Kher, G, Kim, I, Pancera, M, Hansman, G. | | Deposit date: | 2023-12-07 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Development of a broad-spectrum therapeutic Fc-nanobody for human noroviruses.
J.Virol., 98, 2024
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8V99
 | | GII.26 Leon 4509 norovirus protruding domain | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Capsid protein VP1, ... | | Authors: | Kher, G, Reese, T, Pancera, M, Hansman, G. | | Deposit date: | 2023-12-07 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Development of a broad-spectrum therapeutic Fc-nanobody for human noroviruses.
J.Virol., 98, 2024
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8V98
 | | GII.24 Loreto 1972 norovirus protruding domain | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Capsid protein VP1 | | Authors: | Kher, G, Prewitt, A, Pancera, M, Hansman, G. | | Deposit date: | 2023-12-07 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Development of a broad-spectrum therapeutic Fc-nanobody for human noroviruses.
J.Virol., 98, 2024
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8V97
 | | GII.17 CS-E1 norovirus protruding domain | | Descriptor: | 1,2-ETHANEDIOL, Capsid protein VP1, DI(HYDROXYETHYL)ETHER | | Authors: | Kher, G, Prewitt, A, Pancera, M, Hansman, G. | | Deposit date: | 2023-12-07 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Development of a broad-spectrum therapeutic Fc-nanobody for human noroviruses.
J.Virol., 98, 2024
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8V96
 | | GII.14 M7 norovirus protruding domain | | Descriptor: | 1,2-ETHANEDIOL, Capsid protein VP1 | | Authors: | Kher, G, Prewitt, A, Pancera, M, Hansman, G. | | Deposit date: | 2023-12-07 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Development of a broad-spectrum therapeutic Fc-nanobody for human noroviruses.
J.Virol., 98, 2024
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8V95
 | | GII.8 Amsterdam norovirus protruding domain | | Descriptor: | 1,2-ETHANEDIOL, Capsid protein (Fragment) | | Authors: | Kher, G, Prewitt, A, Pancera, M, Hansman, G. | | Deposit date: | 2023-12-07 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Development of a broad-spectrum therapeutic Fc-nanobody for human noroviruses.
J.Virol., 98, 2024
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8V8Z
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8V8Y
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8V8X
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8V8W
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8V8V
 | | PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 7). | | Descriptor: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, 2-[[(1~{R})-1-(7-methyl-4-oxidanylidene-2-piperidin-1-yl-3~{H}-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | | Authors: | Gunn, R.J, Lawson, J.D. | | Deposit date: | 2023-12-06 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein.
J.Med.Chem., 67, 2024
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8V8U
 | | PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 12). | | Descriptor: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, (3S)-9-[(1R)-1-(2-carboxyanilino)ethyl]-3-cyano-7-methyl-4-oxo-2-(piperidin-1-yl)-3,4-dihydropyrido[1,2-a]pyrimidin-5-ium, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | | Authors: | Gunn, R.J, Lawson, J.D. | | Deposit date: | 2023-12-06 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein.
J.Med.Chem., 67, 2024
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8V8O
 | | Switchgrass Chalcone Isomerase-Like Protein | | Descriptor: | Chalcone-flavonone isomerase family protein | | Authors: | Lewis, J.A, Kang, C. | | Deposit date: | 2023-12-05 | | Release date: | 2024-05-29 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (3.21 Å) | | Cite: | Structural and Interactional Analysis of the Flavonoid Pathway Proteins: Chalcone Synthase, Chalcone Isomerase and Chalcone Isomerase-like Protein.
Int J Mol Sci, 25, 2024
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8V8N
 | | Switchgrass Chalcone Synthase C170S | | Descriptor: | Chalcone synthase, GLYCEROL | | Authors: | Lewis, J.A, Kang, C. | | Deposit date: | 2023-12-05 | | Release date: | 2024-05-29 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structural and Interactional Analysis of the Flavonoid Pathway Proteins: Chalcone Synthase, Chalcone Isomerase and Chalcone Isomerase-like Protein.
Int J Mol Sci, 25, 2024
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8V8M
 | | Switchgrass Chalcone Synthase | | Descriptor: | COENZYME A, Chalcone synthase, NARINGENIN | | Authors: | Lewis, J.A, Kang, C. | | Deposit date: | 2023-12-05 | | Release date: | 2024-05-29 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Structural and Interactional Analysis of the Flavonoid Pathway Proteins: Chalcone Synthase, Chalcone Isomerase and Chalcone Isomerase-like Protein.
Int J Mol Sci, 25, 2024
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