8SY3
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8SY2
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8SXN
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![BU of 8sxn by Molmil](/molmil-images/mine/8sxn) | Structure of NLRP3 and NEK7 complex | Descriptor: | 1-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-3-(1,2,3,5-tetrahydro-s-indacen-4-yl)urea, ADENOSINE-5'-TRIPHOSPHATE, NACHT, ... | Authors: | Yu, X, Matico, R.E, Miller, R, Schoubroeck, B.V, Grauwen, K, Suarez, J, Pietrak, B, Haloi, N, Yin, Y, Tresadern, G.J, Perez-Benito, L, Lindahl, E, Bottelbergs, A, Oehlrich, D, Opdenbosch, N.V, Sharma, S. | Deposit date: | 2023-05-22 | Release date: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (4.04 Å) | Cite: | Cryo-EM structures of NLRP3 reveal its self-activation mechanism Nat Commun, 2024
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8SXC
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8SX4
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![BU of 8sx4 by Molmil](/molmil-images/mine/8sx4) | Crystal Structure of eIF4e in complex with Compound 7n | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, Eukaryotic translation initiation factor 4E, [(~{Z})-4-[2-azanyl-7-[(5-chloranyl-1~{H}-indol-2-yl)methyl]-6-oxidanylidene-1~{H}-purin-9-yl]but-2-enyl]phosphonic acid | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2023-05-19 | Release date: | 2023-06-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.986 Å) | Cite: | Design of Cell-Permeable Inhibitors of Eukaryotic Translation Initiation Factor 4E (eIF4E) for Inhibiting Aberrant Cap-Dependent Translation in Cancer. J.Med.Chem., 66, 2023
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8SX2
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![BU of 8sx2 by Molmil](/molmil-images/mine/8sx2) | PARP4 catalytic domain bound to EB47 | Descriptor: | 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, Protein mono-ADP-ribosyltransferase PARP4 | Authors: | Frigon, L, Pascal, J.M. | Deposit date: | 2023-05-19 | Release date: | 2023-11-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural and biochemical analysis of the PARP1-homology region of PARP4/vault PARP. Nucleic Acids Res., 51, 2023
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8SX1
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![BU of 8sx1 by Molmil](/molmil-images/mine/8sx1) | PARP4 catalytic domain | Descriptor: | Protein mono-ADP-ribosyltransferase PARP4 | Authors: | Frigon, L, Pascal, J.M. | Deposit date: | 2023-05-19 | Release date: | 2023-11-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Structural and biochemical analysis of the PARP1-homology region of PARP4/vault PARP. Nucleic Acids Res., 51, 2023
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8SX0
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![BU of 8sx0 by Molmil](/molmil-images/mine/8sx0) | Bordetella filamentous hemagglutinin (FhaB) C-terminal domain | Descriptor: | CALCIUM ION, Filamentous hemagglutinin, GLYCEROL, ... | Authors: | Cuthbert, B.J, Goulding, C.W, Hayes, C.S, Costello, M.S. | Deposit date: | 2023-05-19 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Bordetella filamentous hemagglutinin (FhaB) C-terminal domain To Be Published
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8SWZ
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![BU of 8swz by Molmil](/molmil-images/mine/8swz) | PARP4 ART domain bound to EB47 | Descriptor: | 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, GLYCEROL, Protein mono-ADP-ribosyltransferase PARP4 | Authors: | Frigon, L, Pascal, J.M. | Deposit date: | 2023-05-19 | Release date: | 2023-11-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural and biochemical analysis of the PARP1-homology region of PARP4/vault PARP. Nucleic Acids Res., 51, 2023
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8SWY
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![BU of 8swy by Molmil](/molmil-images/mine/8swy) | PARP4 ART domain bound to NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, Protein mono-ADP-ribosyltransferase PARP4 | Authors: | Frigon, L, Pascal, J.M. | Deposit date: | 2023-05-19 | Release date: | 2023-11-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural and biochemical analysis of the PARP1-homology region of PARP4/vault PARP. Nucleic Acids Res., 51, 2023
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8SWQ
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![BU of 8swq by Molmil](/molmil-images/mine/8swq) | Structure of K. lactis PNP bound to transition state analog DADMe-IMMUCILLIN H and sulfate | Descriptor: | 7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one, GLYCEROL, Purine nucleoside phosphorylase, ... | Authors: | Fedorov, E, Ghosh, A. | Deposit date: | 2023-05-19 | Release date: | 2023-10-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.979 Å) | Cite: | Phosphate Binding in PNP Alters Transition-State Analogue Affinity and Subunit Cooperativity. Biochemistry, 62, 2023
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8SWL
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8SWK
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![BU of 8swk by Molmil](/molmil-images/mine/8swk) | Cryo-EM structure of NLRP3 closed hexamer | Descriptor: | 1-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-3-(1,2,3,5-tetrahydro-s-indacen-4-yl)urea, ADENOSINE-5'-TRIPHOSPHATE, NACHT, ... | Authors: | Yu, X, Matico, R.E, Miller, R, Schoubroeck, B.V, Grauwen, K, Suarez, J, Pietrak, B, Haloi, N, Yin, Y, Tresadern, G.J, Perez-Benito, L, Lindahl, E, Bottelbergs, A, Oehlrich, D, Opdenbosch, N.V, Sharma, S. | Deposit date: | 2023-05-18 | Release date: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (4.32 Å) | Cite: | Cryo-EM structures of NLRP3 reveal its self-activation mechanism Nat Commun, 2024
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8SWH
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8SWE
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![BU of 8swe by Molmil](/molmil-images/mine/8swe) | FGFR2 Kinase Domain Bound to Reversible Inhibitor Cmpd 3 | Descriptor: | Fibroblast growth factor receptor 2, GLUTATHIONE, GLYCEROL, ... | Authors: | Valverde, R, Foster, L. | Deposit date: | 2023-05-18 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Discovery of lirafugratinib (RLY-4008), a highly selective irreversible small-molecule inhibitor of FGFR2. Proc.Natl.Acad.Sci.USA, 121, 2024
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8SWD
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8SWB
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![BU of 8swb by Molmil](/molmil-images/mine/8swb) | RNase H complex with streopure ASO and RNA | Descriptor: | DI(HYDROXYETHYL)ETHER, DNA (5'-R(*(OMC)P*(N7X)P*(T39)P*(C5L)P*(A2M))-D(P*(SC)P*(PST)P*(SC)P*AP*(SC)P*(SC)P*(RC)P*(AS)P*(SC)P*(PST))-R(P*(6OO)P*(RFJ)P*(6OO)P*(6OO)P*(6NW))-3'), GLYCEROL, ... | Authors: | Cho, Y.-J, Iwamoto, N. | Deposit date: | 2023-05-18 | Release date: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of RNase H/RNA/PS-ASO complex at an atomic level To Be Published
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8SW0
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![BU of 8sw0 by Molmil](/molmil-images/mine/8sw0) | Puromycin sensitive aminopeptidase | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Puromycin-sensitive aminopeptidase, ... | Authors: | Rodgers, D.W, Sampath, S. | Deposit date: | 2023-05-17 | Release date: | 2023-07-26 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Structure of puromycin-sensitive aminopeptidase and polyglutamine binding. Plos One, 18, 2023
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8SVY
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![BU of 8svy by Molmil](/molmil-images/mine/8svy) | MBP-Mcl1 in complex with ligand 10 | Descriptor: | (15P)-17-chloro-33-fluoro-12-[(2-methoxyethoxy)methyl]-5,14,22-trimethyl-28-oxa-9-thia-5,6,13,14,22-pentaazaheptacyclo[27.7.1.1~4,7~.0~11,15~.0~16,21~.0~20,24~.0~30,35~]octatriaconta-1(36),4(38),6,11(15),12,16,18,20,23,29(37),30,32,34-tridecaene-23-carboxylic acid, 1,2-ETHANEDIOL, GLYCEROL, ... | Authors: | Miller, B.R, Shaffer, P. | Deposit date: | 2023-05-17 | Release date: | 2023-08-09 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Macrocyclic Carbon-Linked Pyrazoles As Novel Inhibitors of MCL-1. Acs Med.Chem.Lett., 14, 2023
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8SVU
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![BU of 8svu by Molmil](/molmil-images/mine/8svu) | Crystal structure of the L428V mutant of pregnane X receptor ligand binding domain in apo form | Descriptor: | GLYCEROL, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1 fusion protein,Nuclear receptor coactivator 1 | 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: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.89 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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8SVL
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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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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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