8VZR
 
 | | Crystal structure of dehaloperoxidase A in complex with substrate 4-bromo-o-cresol | | Descriptor: | 4-bromo-2-methylphenol, DI(HYDROXYETHYL)ETHER, Dehaloperoxidase A, ... | | Authors: | Aktar, M.S, de Serrano, V.S, Ghiladi, R.A, Franzen, S. | | Deposit date: | 2024-02-12 | | Release date: | 2024-07-17 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Structural Comparison of Substrate Binding Sites in Dehaloperoxidase A and B.
Biochemistry, 63, 2024
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8RZB
 | | IL-1beta in complex with covalent DEL hit | | Descriptor: | 8-[4-methyl-3-(trifluoromethyl)phenyl]-2-[[(7S)-7-(2-morpholin-4-ylethylcarbamoyl)-4-(phenylsulfonyl)-1,4-diazepan-1-yl]carbonyl]imidazo[1,2-a]pyridine-6-carboxylic acid, Interleukin-1 beta | | Authors: | Rondeau, J.-M, Lehmann, S. | | Deposit date: | 2024-02-12 | | Release date: | 2024-05-22 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.836 Å) | | Cite: | Ligandability Assessment of IL-1 beta by Integrated Hit Identification Approaches.
J.Med.Chem., 67, 2024
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8YB7
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8VZM
 | | DNA Ligase 1 captured with pre-step 3 ligation at the rA:T nicksite | | Descriptor: | ADENOSINE MONOPHOSPHATE, DNA (5'-D(*GP*TP*CP*CP*GP*AP*CP*CP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*GP*AP*C)-3'), ... | | Authors: | KanalElamparithi, B, Gulkis, M, Caglayan, M. | | Deposit date: | 2024-02-11 | | Release date: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Structures of LIG1 provide a mechanistic basis for understanding a lack of sugar discrimination against a ribonucleotide at the 3'-end of nick DNA.
J.Biol.Chem., 300, 2024
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8VZL
 | | DNA Ligase 1 captured with pre-step 3 ligation at the rG:C nicksite | | Descriptor: | ADENOSINE MONOPHOSPHATE, DNA (5'-D(*GP*TP*CP*CP*GP*AP*CP*CP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*GP*AP*C)-3'), ... | | Authors: | KanalElamparithi, B, Gulkis, M, Caglayan, M. | | Deposit date: | 2024-02-11 | | Release date: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Structures of LIG1 provide a mechanistic basis for understanding a lack of sugar discrimination against a ribonucleotide at the 3'-end of nick DNA.
J.Biol.Chem., 300, 2024
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8VZ8
 | | Crystal structure of mouse MAIT M2B TCR-MR1-5-OP-RU complex | | Descriptor: | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Ciacchi, L, Rossjohn, J, Awad, W. | | Deposit date: | 2024-02-11 | | Release date: | 2024-04-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | Mouse mucosal-associated invariant T cell receptor recognition of MR1 presenting the vitamin B metabolite, 5-(2-oxopropylideneamino)-6-d-ribitylaminouracil.
J.Biol.Chem., 300, 2024
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8VZ9
 | | Crystal structure of mouse MAIT M2A TCR-MR1-5-OP-RU complex | | Descriptor: | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Ciacchi, L, Rossjohn, J, Awad, W. | | Deposit date: | 2024-02-11 | | Release date: | 2024-04-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Mouse mucosal-associated invariant T cell receptor recognition of MR1 presenting the vitamin B metabolite, 5-(2-oxopropylideneamino)-6-d-ribitylaminouracil.
J.Biol.Chem., 300, 2024
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8YB5
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8YB6
 | | Type I-EHNH Cascade complex | | Descriptor: | 61-nt crRNA, CRISPR system Cascade subunit CasC, CRISPR system Cascade subunit CasD, ... | | Authors: | Li, Z. | | Deposit date: | 2024-02-11 | | Release date: | 2024-07-31 | | Last modified: | 2024-08-07 | | Method: | ELECTRON MICROSCOPY (3.06 Å) | | Cite: | Mechanisms for HNH-mediated target DNA cleavage in type I CRISPR-Cas systems.
Mol.Cell, 2024
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8YAX
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8RYT
 | | Structural characterization of Thogoto Virus nucleoprotein provides insights into RNA encapsidation and assembly | | Descriptor: | Nucleoprotein | | Authors: | Roske, Y, Mikirtumov, V, Daumke, O, Kudryashev, M, Dick, A. | | Deposit date: | 2024-02-09 | | Release date: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (18 Å) | | Cite: | Structural characterization of Thogoto Virus nucleoprotein provides insights into viral RNA encapsidation and RNP assembly.
Structure, 2024
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8RYS
 | | Human IL-1beta, unliganded | | Descriptor: | Interleukin-1 beta, SULFATE ION | | Authors: | Rondeau, J.-M, Lehmann, S. | | Deposit date: | 2024-02-09 | | Release date: | 2024-03-06 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Ligandability Assessment of IL-1 beta by Integrated Hit Identification Approaches.
J.Med.Chem., 67, 2024
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8RYK
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8VYL
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8RXX
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8RXR
 | | Crystal structure of VPS34 in complex with inhibitor SB02024 | | Descriptor: | 4-[(3R)-3-methylmorpholin-4-yl]-2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-3H-pyridin-6-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Tresaugues, L, Yu, Y, Bogdan, M, Parpal, S, Silvander, C, Lindstrom, J, Simeon, J, Timson, M.J, Al-Hashimi, H, Smith, B.D, Flynn, D.L, Viklund, J, Martinsson, J, De Milito, A, Andersson, M. | | Deposit date: | 2024-02-07 | | Release date: | 2024-03-20 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Combining VPS34 inhibitors with STING agonists enhances type I interferon signaling and anti-tumor efficacy.
Mol Oncol, 2024
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8RXH
 | | CRYO-EM STRUCTURE OF LEISHMANIA MAJOR 80S RIBOSOME WITH A/P/E-site tRNA AND mRNA : PARENTAL STRAIN | | Descriptor: | (2S)-2-[2-[4-[[(2R,3S,4S)-3-acetyloxy-4-oxidanyl-pyrrolidin-2-yl]methyl]phenoxy]ethanoylamino]-6-azanyl-hexanoic acid, 40S ribosomal protein S12, 40S ribosomal protein S14, ... | | Authors: | Rajan, K.S, Yonath, A. | | Deposit date: | 2024-02-07 | | Release date: | 2024-05-15 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.93 Å) | | Cite: | Structural and mechanistic insights into the function of Leishmania ribosome lacking a single pseudouridine modification.
Cell Rep, 43, 2024
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8VY7
 | | CryoEM structure of Gi-coupled TAS2R14 with cholesterol and an intracellular tastant | | Descriptor: | 4-methyl-N-[(2M)-2-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)pyrimidin-2-amine, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Kim, Y, Gumpper, R.H, Roth, B.L. | | Deposit date: | 2024-02-07 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.68 Å) | | Cite: | Bitter taste receptor activation by cholesterol and an intracellular tastant.
Nature, 628, 2024
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8Y9V
 | | ZIKV NS2B/NS3 protease | | Descriptor: | DAR-LYS-ORN-ARG, Serine protease NS3, Serine protease subunit NS2B | | Authors: | Zhang, C.Y, Xu, Q, Wang, W.W, Zhou, H, Wang, Q.S. | | Deposit date: | 2024-02-07 | | Release date: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystallographic data collection using a multilayer monochromator on an undulator beamline at SSRF
To Be Published
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8VY9
 | | CryoEM structure of Ggust-coupled TAS2R14 with cholesterol and an intracellular tastant | | Descriptor: | 4-methyl-N-[(2M)-2-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)pyrimidin-2-amine, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Kim, Y, Gumpper, R.H, Roth, B.L. | | Deposit date: | 2024-02-07 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.88 Å) | | Cite: | Bitter taste receptor activation by cholesterol and an intracellular tastant.
Nature, 628, 2024
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8RX9
 | | LTA4 hydrolase in complex with compound3 | | Descriptor: | 1-[[5-[5-(1~{H}-pyrazol-5-yl)pyridin-2-yl]oxypyridin-2-yl]methyl]piperidin-4-ol, ACETATE ION, IMIDAZOLE, ... | | Authors: | Srinivas, H. | | Deposit date: | 2024-02-06 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure-Guided Elaboration of a Fragment-Like Hit into an Orally Efficacious Leukotriene A4 Hydrolase Inhibitor.
J.Med.Chem., 67, 2024
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8VXU
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8VY4
 | | Engineering a Tumor-Selective Prodrug T Cell Engager Bispecific Antibody for Safer Immunotherapy | | Descriptor: | Fab Heavy Chain, Fab Light Chain, PCA-ASP-GLY-ASN-GLU-GLU-MET | | Authors: | Antonysamy, S, Demarest, S, Froning, K, Hickey, M.H, Kuhlman, B, McCue, A.C. | | Deposit date: | 2024-02-06 | | Release date: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Engineering a tumor-selective prodrug T-cell engager bispecific antibody for safer immunotherapy.
Mabs, 16, 2024
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8RXB
 | | Human UPF1 CH domain in complex with SMG6 peptide | | Descriptor: | Regulator of nonsense transcripts 1, Telomerase-binding protein EST1A, ZINC ION | | Authors: | Langer, L, Basquin, J, Conti, E. | | Deposit date: | 2024-02-06 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | UPF1 helicase orchestrates mutually exclusive interactions with the SMG6 endonuclease and UPF2.
Nucleic Acids Res., 52, 2024
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8RX3
 | | LTA4 hydrolase in complex with CTX-4430 | | Descriptor: | 4-[[(1~{S},4~{S})-5-[[4-[4-(1,3-oxazol-2-yl)phenoxy]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid, ACETATE ION, IMIDAZOLE, ... | | Authors: | Srinivas, H. | | Deposit date: | 2024-02-06 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-Guided Elaboration of a Fragment-Like Hit into an Orally Efficacious Leukotriene A4 Hydrolase Inhibitor.
J.Med.Chem., 67, 2024
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