8SVP
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![BU of 8svp by Molmil](/molmil-images/mine/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
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![BU of 8svo by Molmil](/molmil-images/mine/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
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![BU of 8svn by Molmil](/molmil-images/mine/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
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![BU of 8svm by Molmil](/molmil-images/mine/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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![BU of 8svl by Molmil](/molmil-images/mine/8svl) | |
8SVK
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![BU of 8svk by Molmil](/molmil-images/mine/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
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![BU of 8svj by Molmil](/molmil-images/mine/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
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![BU of 8svi by Molmil](/molmil-images/mine/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
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![BU of 8svh by Molmil](/molmil-images/mine/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
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![BU of 8svg by Molmil](/molmil-images/mine/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
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![BU of 8svf by Molmil](/molmil-images/mine/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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![BU of 8sve by Molmil](/molmil-images/mine/8sve) | |
8SVD
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![BU of 8svd by Molmil](/molmil-images/mine/8svd) | |
8SVC
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![BU of 8svc by Molmil](/molmil-images/mine/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
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![BU of 8svb by Molmil](/molmil-images/mine/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
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![BU of 8sva by Molmil](/molmil-images/mine/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
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![BU of 8sv9 by Molmil](/molmil-images/mine/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
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![BU of 8sv8 by Molmil](/molmil-images/mine/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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![BU of 8sv7 by Molmil](/molmil-images/mine/8sv7) | |
8SV6
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![BU of 8sv6 by Molmil](/molmil-images/mine/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
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![BU of 8sv5 by Molmil](/molmil-images/mine/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
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![BU of 8sv4 by Molmil](/molmil-images/mine/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
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![BU of 8sv3 by Molmil](/molmil-images/mine/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
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![BU of 8sv2 by Molmil](/molmil-images/mine/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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![BU of 8sv1 by Molmil](/molmil-images/mine/8sv1) | |