8SVP
 
 | | Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-278 | | Descriptor: | (1P)-N-(5-tert-butyl-2-{[(3R)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide | | Authors: | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | | Deposit date: | 2023-05-17 | | Release date: | 2024-05-15 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.32 Å) | | Cite: | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
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8SVO
 | | Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-310 | | Descriptor: | (1P)-N-(5-tert-butyl-2-{[(2S)-pentan-2-yl]oxy}phenyl)-1-(2-methoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, DIMETHYL SULFOXIDE, Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide | | Authors: | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | | Deposit date: | 2023-05-17 | | Release date: | 2024-05-15 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
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8SVN
 | | Crystal structure of the apo form of pregnane X receptor ligand binding domain | | Descriptor: | Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide | | Authors: | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | | Deposit date: | 2023-05-17 | | Release date: | 2024-05-15 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
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8SVM
 | | Plasmodium falciparum M17 aminopeptidase bound to MMV1557817 | | Descriptor: | CARBONATE ION, Leucine aminopeptidase, N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-3,3-dimethylbutanamide, ... | | Authors: | McGowan, S, Drinkwater, N. | | Deposit date: | 2023-05-17 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Characterisation of a novel antimalarial agent targeting haemaglobin digestion that shows cross-species reactivity and excellent in vivo properties.
Mbio, 2024
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8SVL
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8SVK
 | | Crystal structure of Bax D71N core domain BH3-groove dimer | | Descriptor: | Apoptosis regulator BAX, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | | Authors: | Miller, M.S, Czabotar, P.E, Colman, P.M. | | Deposit date: | 2023-05-16 | | Release date: | 2023-12-27 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 291, 2024
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8SVJ
 | | Ubiquitin variant i53: mutant VHH with 53BP1 Tudor domain | | Descriptor: | GLYCEROL, Tumor protein p53 binding protein 1, Ubiquitin varient i53 mutant VHH | | Authors: | Holden, J, Partridge, J.R, Wibowo, A.S, Mulichak, A. | | Deposit date: | 2023-05-16 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair.
Nat Commun, 15, 2024
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8SVI
 | | Ubiquitin variant i53:Mutant L67H with 53BP1 Tudor domain | | Descriptor: | GLYCEROL, Tumor protein p53 binding protein 1, Ubiquitin Variant i53: Mutant L67H | | Authors: | Partridge, J.R, Holden, J.K, Wibowo, A.S, Mulichak, A. | | Deposit date: | 2023-05-16 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair.
Nat Commun, 15, 2024
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8SVH
 | | Ubiquitin variant i53 mutant L67R bound to 53BP1 Tudor Domain | | Descriptor: | Tumor protein p53 binding protein 1, Ubiquitin variant i53: mutant L67R | | Authors: | Holden, J.K, Partridge, J.R, Wibowo, A.S, Mulichak, A. | | Deposit date: | 2023-05-16 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair.
Nat Commun, 15, 2024
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8SVG
 | | Ubiquitin variant i53 in complex with 53BP1 Tudor domain | | Descriptor: | Tumor protein p53 binding protein 1, Ubiquitin variant i53 | | Authors: | Holden, J.K, Partridge, J.R, Wibowo, A.S, Mulichak, A. | | Deposit date: | 2023-05-16 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair.
Nat Commun, 15, 2024
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8SVF
 | | BAP1/ASXL1 bound to the H2AK119Ub Nucleosome | | Descriptor: | DNA/RNA (187-MER), DNA/RNA (327-MER), Histone H2A type 1, ... | | Authors: | Thomas, J.F, Valencia-Sanchez, M.I, Armache, K.-J. | | Deposit date: | 2023-05-16 | | Release date: | 2023-08-30 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural basis of histone H2A lysine 119 deubiquitination by Polycomb repressive deubiquitinase BAP1/ASXL1.
Sci Adv, 9, 2023
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8SVE
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8SVD
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8SVC
 | | Crystal Structure of SBP from Klebsiella pneumoniae | | Descriptor: | Metal ABC transporter substrate-binding protein, SULFATE ION, ZINC ION | | Authors: | Giles, M.W, Cole, G.B, Ng, D, McDevitt, C.A, Moraes, T.F. | | Deposit date: | 2023-05-16 | | Release date: | 2024-01-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Zinc acquisition and its contribution to Klebsiella pneumoniae virulence.
Front Cell Infect Microbiol, 13, 2023
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8SVB
 | | Antimicrobial lasso peptide achromonodin-1 | | Descriptor: | Achromonodin-1 | | Authors: | Carson, D.V, Cheung-Lee, W.L, So, L, Link, A.J. | | Deposit date: | 2023-05-16 | | Release date: | 2023-10-11 | | Last modified: | 2023-12-06 | | Method: | SOLUTION NMR | | Cite: | Discovery, Characterization, and Bioactivity of the Achromonodins: Lasso Peptides Encoded by Achromobacter .
J.Nat.Prod., 86, 2023
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8SVA
 | | Structure of the Rhodococcus sp. USK13 DarR-20 bp DNA complex | | Descriptor: | DNA (5'-D(*TP*AP*GP*AP*TP*AP*CP*TP*CP*CP*GP*GP*AP*GP*TP*AP*TP*CP*TP*A)-3'), PHOSPHATE ION, TetR/AcrR family transcriptional regulator | | Authors: | Schumacher, M.A. | | Deposit date: | 2023-05-15 | | Release date: | 2023-11-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.96 Å) | | Cite: | Structures of the DarR transcription regulator reveal unique modes of second messenger and DNA binding.
Nat Commun, 14, 2023
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8SV9
 | | Crystal structure of ULK1 kinase domain with inhibitor MR-2088 | | Descriptor: | (4P)-4-[(2P)-2-(1,2,5,6-tetrahydropyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide, 1,2-ETHANEDIOL, SULFATE ION, ... | | Authors: | Schonbrunn, E, Sun, L. | | Deposit date: | 2023-05-15 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Development of potent and selective ULK1/2 inhibitors based on 7-azaindole scaffold with favorable in vivo properties.
Eur.J.Med.Chem., 266, 2024
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8SV8
 | | Cryo-EM structure of a double loaded human UBA7-UBE2L6-ISG15 thioester mimetic complex from a composite map | | Descriptor: | ADENOSINE MONOPHOSPHATE, Ubiquitin-like modifier-activating enzyme 7, Ubiquitin-like protein ISG15, ... | | Authors: | Afsar, M, Jia, L, Ruben, E.A, Olsen, S.K. | | Deposit date: | 2023-05-15 | | Release date: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (3.38 Å) | | Cite: | Cryo-EM structures of Uba7 reveal the molecular basis for ISG15 activation and E1-E2 thioester transfer.
Nat Commun, 14, 2023
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8SV7
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8SV6
 | | Structure of the M. smegmatis DarR protein | | Descriptor: | Fatty acid metabolism regulator protein | | Authors: | Schumacher, M.A. | | Deposit date: | 2023-05-15 | | Release date: | 2023-11-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.56 Å) | | Cite: | Structures of the DarR transcription regulator reveal unique modes of second messenger and DNA binding.
Nat Commun, 14, 2023
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8SV5
 | | Crystal structure of Bacillus anthracis dihydroneopterin aldolase in complex with 6-hydroxymethyl-7,8-dihydropterin | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 7,8-dihydroneopterin aldolase | | Authors: | Shaw, G.X, Li, Y, Yan, H, Ji, X. | | Deposit date: | 2023-05-15 | | Release date: | 2023-06-07 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Crystal structure of Bacillus anthracis dihydroneopterin aldolase in complex with 6-hydroxymethyl-7,8-dihydropterin
To be published
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8SV4
 | | 7-Deazapurines and 5-Halogenpyrimidine DNA duplex | | Descriptor: | 1,2-ETHANEDIOL, 2-[2-(2-ethoxyethoxy)ethoxy]ethanol, ACETATE ION, ... | | Authors: | Pallan, P.S, Egli, M. | | Deposit date: | 2023-05-15 | | Release date: | 2023-10-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Conformational Morphing by a DNA Analogue Featuring 7-Deazapurines and 5-Halogenpyrimidines and the Origins of Adenine-Tract Geometry.
Biochemistry, 62, 2023
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8SV3
 | | 7-Deazapurines and 5-Halogenpyrimidine DNA duplex | | Descriptor: | GLYCEROL, MAGNESIUM ION, Modified DNA, ... | | Authors: | Pallan, P.S, Egli, M. | | Deposit date: | 2023-05-15 | | Release date: | 2023-10-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Conformational Morphing by a DNA Analogue Featuring 7-Deazapurines and 5-Halogenpyrimidines and the Origins of Adenine-Tract Geometry.
Biochemistry, 62, 2023
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8SV2
 | | Pasteurella multocida alpha2,3/2,6 sialyltransferase D141N bound to CMP | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-2,3/2,6-sialyltransferase/sialidase, CYTIDINE-5'-MONOPHOSPHATE, ... | | Authors: | Stubbs, H.E, Iverson, T.M. | | Deposit date: | 2023-05-15 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Pasteurella multocida alpha2,3/2,6 sialyltransferase D141N bound to CMP
To Be Published
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8SV1
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