8BWE
 
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8BWD
 | | Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1), crystal form 1 | | Descriptor: | SULFATE ION, Twisted gastrulation protein homolog 1 | | Authors: | Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C. | | Deposit date: | 2022-12-06 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Molecular mechanism of BMP signal control by Twisted gastrulation.
Nat Commun, 15, 2024
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8BW9
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8BW8
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8BW4
 | | PanDDA analysis -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | | Descriptor: | (2R)-4-(3-fluoranylthiophen-2-yl)carbonyl-N-(4-methoxyphenyl)-2-methyl-piperazine-1-carboxamide, PH-interacting protein | | Authors: | Grosjean, H, Aimon, A, Hassell-Hart, S, Bradshaw, W.J, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | | Deposit date: | 2022-12-06 | | Release date: | 2022-12-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | PanDDA analysis -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
To Be Published
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8BW3
 | | PanDDA analysis -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | | Descriptor: | (2S)-N-(cyclopropylmethyl)-2-methyl-4-(1-methyl-1H-pyrrole-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein | | Authors: | Grosjean, H, Aimon, A, Hassell-Hart, S, Bradshaw, W.J, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | | Deposit date: | 2022-12-06 | | Release date: | 2022-12-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | PanDDA analysis -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
To Be Published
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8BW2
 | | PanDDA analysis -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | | Descriptor: | (2R)-N-(2-methoxyethyl)-2-methyl-4-thiophen-2-ylcarbonyl-piperazine-1-carboxamide, PH-interacting protein | | Authors: | Grosjean, H, Aimon, A, Hassell-Hart, S, Bradshaw, W.J, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | | Deposit date: | 2022-12-06 | | Release date: | 2022-12-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | PanDDA analysis -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
To Be Published
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8BVW
 | | RNA polymerase II pre-initiation complex with the distal +1 nucleosome (PIC-Nuc18W) | | Descriptor: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | | Authors: | Abril-Garrido, J, Dienemann, C, Grabbe, F, Velychko, T, Lidschreiber, M, Wang, H, Cramer, P. | | Deposit date: | 2022-12-20 | | Release date: | 2023-05-03 | | Last modified: | 2023-06-14 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structural basis of transcription reduction by a promoter-proximal +1 nucleosome.
Mol.Cell, 83, 2023
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8BVQ
 | | E. coli BAM complex (BamABCDE) bound to darobactin B | | Descriptor: | Darobactin-B, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ... | | Authors: | Horne, J.E, Fenn, K.L, Radford, S.E, Ranson, N.A. | | Deposit date: | 2022-12-05 | | Release date: | 2023-05-24 | | Last modified: | 2023-09-06 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Darobactin B Stabilises a Lateral-Closed Conformation of the BAM Complex in E. coli Cells.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8BVG
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8BV9
 | | Acylphosphatase from E. coli | | Descriptor: | 1,2-ETHANEDIOL, Acylphosphatase, GLYCEROL, ... | | Authors: | Gavira, J.A, Martinez-Rodriguez, S. | | Deposit date: | 2023-01-18 | | Release date: | 2023-10-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | First 3-D structural evidence of a native-like intertwined dimer in the acylphosphatase family.
Biochem.Biophys.Res.Commun., 682, 2023
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8BV8
 | | Crystal structure of the phage Mu protein Mom inactive mutant S124A | | Descriptor: | Methylcarbamoylase mom | | Authors: | Silva, R.M.B, Slyvka, A, Lee, Y.J, Guan, C, Lund, S.R, Raleigh, E.A, Skowronek, K, Bochtler, M, Weigele, P.R. | | Deposit date: | 2022-12-08 | | Release date: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Crystal structure of the phage Mu protein Mom catalytic mutant S124A
To Be Published
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8BV7
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8BV6
 | | An i-motif domain able to undergo pH-dependent conformational transitions (neutral structure) | | Descriptor: | DNA (5'-D(*CP*(DNR)P*GP*TP*TP*CP*(DNR)P*GP*TP*TP*TP*TP*TP*CP*CP*GP*TP*TP*CP*CP*GP*T)-3') | | Authors: | Serrano-Chacon, I, Mir, B, Cupellini, L, Colizzi, F, Orozco, M, Escaja, N, Gonzalez, C. | | Deposit date: | 2022-12-01 | | Release date: | 2023-02-22 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | pH-Dependent Capping Interactions Induce Large-Scale Structural Transitions in i-Motifs.
J.Am.Chem.Soc., 145, 2023
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8BV4
 | | Structure of BlaC from Mycobacterium tuberculosis in complex with vaborbactam | | Descriptor: | Beta-lactamase, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Chikunova, A, Bruenle, S, Ubbink, M. | | Deposit date: | 2022-12-01 | | Release date: | 2023-07-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Asp179 in the class A beta-lactamase from Mycobacterium tuberculosis is a conserved yet not essential residue due to epistasis.
Febs J., 290, 2023
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8BV2
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8BV1
 | | Peptide inhibitor P4 in complex with ASF1 histone chaperone | | Descriptor: | GLYCEROL, Histone chaperone ASF1A, P4 peptide inhibitor of histone chaperone ASF1 | | Authors: | Perrin, M.E, Li, B, Mbianda, J, Ropars, V, Legrand, P, Douat, C, Ochsenbein, F, Guichard, G. | | Deposit date: | 2022-12-01 | | Release date: | 2023-07-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.834 Å) | | Cite: | Unexpected binding modes of inhibitors to the histone chaperone ASF1 revealed by a foldamer scanning approach.
Chem.Commun.(Camb.), 59, 2023
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8BUV
 | | HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor LEDGIN 3 | | Descriptor: | (6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)acetic acid, 1,2-ETHANEDIOL, Integrase, ... | | Authors: | Singer, M.R, Pye, V.E, Cook, N.J, Cherepanov, P. | | Deposit date: | 2022-11-30 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor LEDGIN 3
To Be Published
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8BUT
 | | Structure of DDB1 bound to DS61-engaged CDK12-cyclin K | | Descriptor: | 2-[[6-[[4-(2-hydroxyethyloxy)phenyl]methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ... | | Authors: | Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H. | | Deposit date: | 2022-11-30 | | Release date: | 2023-09-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
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8BUS
 | | Structure of DDB1 bound to DS59-engaged CDK12-cyclin K | | Descriptor: | 1,3-dimethyl-5-[[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]methyl]pyrazole-4-sulfonamide, Cyclin-K, Cyclin-dependent kinase 12, ... | | Authors: | Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H. | | Deposit date: | 2022-11-30 | | Release date: | 2023-09-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.26 Å) | | Cite: | Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
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8BUR
 | | Structure of DDB1 bound to DS50-engaged CDK12-cyclin K | | Descriptor: | Cyclin-K, Cyclin-dependent kinase 12, DNA damage-binding protein 1, ... | | Authors: | Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H. | | Deposit date: | 2022-11-30 | | Release date: | 2023-09-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.64 Å) | | Cite: | Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
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8BUQ
 | | Structure of DDB1 bound to DS43-engaged CDK12-cyclin K | | Descriptor: | (2~{R})-2-[[6-[[1-(3-chlorophenyl)pyrazol-3-yl]methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, CITRIC ACID, Cyclin-K, ... | | Authors: | Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H. | | Deposit date: | 2022-11-30 | | Release date: | 2023-09-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
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8BUP
 | | Structure of DDB1 bound to DS30-engaged CDK12-cyclin K | | Descriptor: | (2~{R})-2-[[6-[3-(3-methylphenyl)propylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ... | | Authors: | Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H. | | Deposit date: | 2022-11-30 | | Release date: | 2023-09-13 | | Last modified: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (3.41 Å) | | Cite: | Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
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8BUO
 | | Structure of DDB1 bound to DS24-engaged CDK12-cyclin K | | Descriptor: | (2~{R})-2-[[6-[(3-fluoranyl-4-pyridin-2-yl-phenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ... | | Authors: | Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H. | | Deposit date: | 2022-11-30 | | Release date: | 2023-09-13 | | Last modified: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (3.58 Å) | | Cite: | Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
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8BUN
 | | Structure of DDB1 bound to DS16-engaged CDK12-cyclin K | | Descriptor: | (2~{R})-2-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ... | | Authors: | Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H. | | Deposit date: | 2022-11-30 | | Release date: | 2023-09-13 | | Last modified: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (3.08 Å) | | Cite: | Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
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