8CBX
 
 | | Crystal Structure of Anti-Cortisol Fab fragment | | Descriptor: | TETRAETHYLENE GLYCOL, anti-cortisol (17) Fab (heavy chain), anti-cortisol (17) Fab (light chain) | | Authors: | Eronen, V, Rouvinen, J, Hakulinen, N. | | Deposit date: | 2023-01-26 | | Release date: | 2023-05-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural insight to elucidate the binding specificity of the anti-cortisol Fab fragment with glucocorticoids.
J.Struct.Biol., 215, 2023
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8CBQ
 | | structure of LEDGF/p75 PWWP domain bound to the H3K36 trimethylated dinucleosome | | Descriptor: | Histone H2A, Histone H2B 1.1, Histone H3, ... | | Authors: | Koutna, E, Kouba, T, Novacek, J, Veverka, V. | | Deposit date: | 2023-01-25 | | Release date: | 2023-09-06 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Multivalency of nucleosome recognition by LEDGF.
Nucleic Acids Res., 51, 2023
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8CBN
 | | structure of LEDGF/p75 PWWP domain bound to the H3K36 trimethylated dinucleosome | | Descriptor: | Histone H2A, Histone H2B 1.1, Histone H3, ... | | Authors: | Koutna, E, Kouba, T, Novacek, J, Veverka, V. | | Deposit date: | 2023-01-25 | | Release date: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (3.34 Å) | | Cite: | Multivalency of nucleosome recognition by LEDGF.
Nucleic Acids Res., 51, 2023
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8CAM
 | | Evernimicin bound to the 50S subunit | | Descriptor: | 23S rRNA, 50S ribosomal protein L15, 50S ribosomal protein L25, ... | | Authors: | Paternoga, H, Crowe-McAuliffe, C, Novacek, J, Wilson, D.N. | | Deposit date: | 2023-01-24 | | Release date: | 2023-07-26 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (1.86 Å) | | Cite: | Structural conservation of antibiotic interaction with ribosomes.
Nat.Struct.Mol.Biol., 30, 2023
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8C9J
 | | Crystal structure of human NQO1 by serial femtosecond crystallography | | Descriptor: | ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1 | | Authors: | Martin-Garcia, J.M, Grieco, A, Ruiz-Fresneda, M.A, Pacheco-Garcia, J.L, Pey, A, Botha, S, Ros, A. | | Deposit date: | 2023-01-23 | | Release date: | 2023-06-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Modular droplet injector for sample conservation providing new structural insight for the conformational heterogeneity in the disease-associated NQO1 enzyme.
Lab Chip, 23, 2023
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8C7O
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8C77
 | | Human cathepsin L after reaction with the thiocarbazate inhibitor CID 16725315 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Cathepsin L, ... | | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | | Deposit date: | 2023-01-12 | | Release date: | 2023-01-25 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
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8C6U
 | | PBP AccA-G145YG440Q mutant from A. tumefaciens Bo542 in apoform 4 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Agrocinopine utilization periplasmic binding protein AccA, ... | | Authors: | Morera, S, Vigouroux, A, Legrand, P. | | Deposit date: | 2023-01-12 | | Release date: | 2024-01-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.843 Å) | | Cite: | A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
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8C68
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8C5P
 | | E. coli NfsB mutant N71S T41L with acetate | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Day, M.A, White, S.A, Hyde, E.I. | | Deposit date: | 2023-01-10 | | Release date: | 2023-04-19 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Structure and Dynamics of Three Escherichia coli NfsB Nitro-Reductase Mutants Selected for Enhanced Activity with the Cancer Prodrug CB1954.
Int J Mol Sci, 24, 2023
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8C5L
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8C5F
 | | E. coli NfsB-T41Q/N71S/F124T mutant bound to acetate | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, FLAVIN MONONUCLEOTIDE, ... | | Authors: | White, S.A, Hyde, E.I, Day, M.A. | | Deposit date: | 2023-01-07 | | Release date: | 2023-04-19 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure and Dynamics of Three Escherichia coli NfsB Nitro-Reductase Mutants Selected for Enhanced Activity with the Cancer Prodrug CB1954.
Int J Mol Sci, 24, 2023
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8C3R
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8C3M
 | | Crystal structure of ferredoxin/flavodoxin NADP+ oxidoreductase 1 (FNR1) V329H mutant from Bacillus cereus | | Descriptor: | ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase, ... | | Authors: | Dahlen, S.A.B, Hammerstad, M, Hersleth, H.-P. | | Deposit date: | 2022-12-26 | | Release date: | 2023-07-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Functional Diversity of Homologous Oxidoreductases-Tuning of Substrate Specificity by a FAD-Stacking Residue for Iron Acquisition and Flavodoxin Reduction.
Antioxidants, 12, 2023
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8C1N
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8C1K
 | | Aurora A kinase in complex with TPX2-inhibitor CAM2602 | | Descriptor: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chloranyl-3-pyridin-2-yloxy-phenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ... | | Authors: | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | | Deposit date: | 2022-12-20 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent
To Be Published
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8C1I
 | | Aurora A kinase in complex with TPX2-inhibitor 10 | | Descriptor: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chloranyl-3-pyridin-2-yloxy-phenyl)-~{N}-cyclopropylsulfonyl-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ... | | Authors: | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | | Deposit date: | 2022-12-20 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent
To Be Published
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8C1H
 | | Aurora A kinase in complex with TPX2-inhibitor 8 | | Descriptor: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chloranyl-3-pyrazin-2-yloxy-phenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ... | | Authors: | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | | Deposit date: | 2022-12-20 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.233 Å) | | Cite: | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent
To Be Published
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8C1G
 | | Aurora A kinase in complex with TPX2-inhibitor 7 | | Descriptor: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chlorophenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ... | | Authors: | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | | Deposit date: | 2022-12-20 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent
To Be Published
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8C1D
 | | Aurora A kinase in complex with TPX2-inhibitor 9 | | Descriptor: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chlorophenyl)-7-methyl-1~{H}-indole-6-carboxylic acid, ACETATE ION, ... | | Authors: | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | | Deposit date: | 2022-12-20 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.115 Å) | | Cite: | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent
To Be Published
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8C15
 | | Aurora A kinase in complex with TPX2-inhibitor 3 | | Descriptor: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chlorophenyl)-1~{H}-indole-6-carboxylic acid, ACETATE ION, ... | | Authors: | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | | Deposit date: | 2022-12-20 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agents
To be published
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8C14
 | | Aurora A kinase in complex with TPX2-inhibitor 9 | | Descriptor: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chloranyl-3-cyano-phenyl)-1~{H}-indole-6-carboxylic acid, ACETATE ION, ... | | Authors: | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | | Deposit date: | 2022-12-20 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent
To Be Published
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8C0M
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8BZ6
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8BZ1
 | | RNA polymerase II core pre-initiation complex with the proximal +1 nucleosome (cPIC-Nuc10W) | | Descriptor: | DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, DNA-directed RNA polymerase II subunit RPB11-a, ... | | Authors: | Abril-Garrido, J, Dienemann, C, Grabbe, F, Velychko, T, Lidschreiber, M, Wang, H, Cramer, P. | | Deposit date: | 2022-12-14 | | Release date: | 2023-05-03 | | Last modified: | 2023-06-14 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural basis of transcription reduction by a promoter-proximal +1 nucleosome.
Mol.Cell, 83, 2023
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