8CUF
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![BU of 8cuf by Molmil](/molmil-images/mine/8cuf) | Synthetic epi-Novo29 (2R,3S), X-ray diffractometer structure | Descriptor: | ACETATE ION, IODIDE ION, Synthetic epi-Novo29 (2R,3S) | Authors: | Kreutzer, A.G, Li, X, Krumberger, M, Nowick, J.S. | Deposit date: | 2022-05-17 | Release date: | 2023-01-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Synthesis and Stereochemical Determination of the Peptide Antibiotic Novo29. J.Org.Chem., 88, 2023
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8CU7
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![BU of 8cu7 by Molmil](/molmil-images/mine/8cu7) | Crystal structure of A2AAR-StaR2-bRIL in complex with a novel A2a antagonist, LJ-4517 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol, Adenosine receptor A2a,Soluble cytochrome b562, ... | Authors: | Shiriaeva, A, Park, D.-J, Kim, G, Lee, Y, Hou, X, Jarhad, D.B, Kim, G, Yu, J, Hyun, Y.E, Kim, W, Gao, Z.-G, Jacobson, K.A, Han, G.W, Stevens, R.C, Jeong, L.S, Choi, S, Cherezov, V. | Deposit date: | 2022-05-16 | Release date: | 2022-08-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | GPCR Agonist-to-Antagonist Conversion: Enabling the Design of Nucleoside Functional Switches for the A 2A Adenosine Receptor. J.Med.Chem., 65, 2022
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8CTZ
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![BU of 8ctz by Molmil](/molmil-images/mine/8ctz) | 12-mer DNA structure of ExBIM & O6Me-G bound to RNase-H | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DNA (5'-D(*CP*GP*CP*(6OG)P*AP*AP*TP*TP*(OWR)P*GP*CP*G)-3'), ... | Authors: | Pallan, P.S, Egli, M. | Deposit date: | 2022-05-16 | Release date: | 2022-08-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Conformation and Pairing Properties of an O 6 -Methyl-2'-deoxyguanosine-Directed Benzimidazole Nucleoside Analog in Duplex DNA. Chem.Res.Toxicol., 35, 2022
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8CTY
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![BU of 8cty by Molmil](/molmil-images/mine/8cty) | 12-mer DNA structure of ExBIM bound to RNase-H | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Pallan, P.S, Egli, M. | Deposit date: | 2022-05-16 | Release date: | 2022-08-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Conformation and Pairing Properties of an O 6 -Methyl-2'-deoxyguanosine-Directed Benzimidazole Nucleoside Analog in Duplex DNA. Chem.Res.Toxicol., 35, 2022
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8CTR
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![BU of 8ctr by Molmil](/molmil-images/mine/8ctr) | |
8CTF
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![BU of 8ctf by Molmil](/molmil-images/mine/8ctf) | The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid | Descriptor: | 3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid, ACETATE ION, MANGANESE (II) ION, ... | Authors: | Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M. | Deposit date: | 2022-05-14 | Release date: | 2022-12-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors. Acs Med.Chem.Lett., 14, 2023
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8CTB
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![BU of 8ctb by Molmil](/molmil-images/mine/8ctb) | Human PRMT5:MEP50 structure with Fragment 3 and MTA Bound | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, 7-chloro-1-methyl-1H-benzimidazol-2-amine, Methylosome protein 50, ... | Authors: | Gunn, R.J, Lawson, J.D, Smith, C.R. | Deposit date: | 2022-05-13 | Release date: | 2022-10-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Fragment optimization and elaboration strategies - the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits. Rsc Med Chem, 13, 2022
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8CSG
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![BU of 8csg by Molmil](/molmil-images/mine/8csg) | Human PRMT5:MEP50 structure with Fragment 1 and MTA Bound | Descriptor: | 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, 6-bromo-1H-pyrrolo[3,2-b]pyridin-5-amine, ... | Authors: | Gunn, R.J, Lawson, J.D, Smith, C.R. | Deposit date: | 2022-05-12 | Release date: | 2022-10-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Fragment optimization and elaboration strategies - the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits. Rsc Med Chem, 13, 2022
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8CRV
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![BU of 8crv by Molmil](/molmil-images/mine/8crv) | Crystal Structure of the Carbamate Kinase from Pseudomonas aeruginosa | Descriptor: | 1,2-ETHANEDIOL, Carbamate kinase, FORMIC ACID, ... | Authors: | Kim, Y, Skarina, T, Mesa, N, Stogios, P, Savchenko, S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2022-05-11 | Release date: | 2022-08-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structure of the Carbamate Kinase from Pseudomonas aeruginosa To Be Published
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8CQP
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![BU of 8cqp by Molmil](/molmil-images/mine/8cqp) | Crystal structure of an 8-repeat consensus TPR superhelix with Calcium (low concentration) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Liutkus, M, Rojas, A.L, Cortajarena, A.L. | Deposit date: | 2023-03-07 | Release date: | 2024-03-27 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Diverse crystalline protein scaffolds through metal-dependent polymorphism. Protein Sci., 33, 2024
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8CQ3
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![BU of 8cq3 by Molmil](/molmil-images/mine/8cq3) | |
8CP8
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![BU of 8cp8 by Molmil](/molmil-images/mine/8cp8) | Crystal structure of an 8-repeat consensus TPR superhelix with Lead | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Liutkus, M, Rojas, A.L, Cortajarena, A.L. | Deposit date: | 2023-03-02 | Release date: | 2024-03-13 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Diverse crystalline protein scaffolds through metal-dependent polymorphism. Protein Sci., 33, 2024
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8COT
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![BU of 8cot by Molmil](/molmil-images/mine/8cot) | |
8COM
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![BU of 8com by Molmil](/molmil-images/mine/8com) | Structure of the Nucleosome Core Particle from Trypanosoma brucei | Descriptor: | Histone H2A, Histone H2B, Histone H3, ... | Authors: | Burdett, H, Deak, G, Wilson, M.D. | Deposit date: | 2023-02-28 | Release date: | 2023-07-12 | Last modified: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Histone divergence in trypanosomes results in unique alterations to nucleosome structure. Nucleic Acids Res., 51, 2023
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8COK
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![BU of 8cok by Molmil](/molmil-images/mine/8cok) | |
8COJ
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![BU of 8coj by Molmil](/molmil-images/mine/8coj) | |
8CO7
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![BU of 8co7 by Molmil](/molmil-images/mine/8co7) | |
8CO1
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![BU of 8co1 by Molmil](/molmil-images/mine/8co1) | Type II Secretion System | Descriptor: | IPT/TIG domain-containing protein, Lipoprotein, Probable type IV piliation system protein DR_0774 | Authors: | Farci, D, Piano, D. | Deposit date: | 2023-02-26 | Release date: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (2.56 Å) | Cite: | Structural characterization and functional insights into the type II secretion system of the poly-extremophile Deinococcus radiodurans. J.Biol.Chem., 300, 2024
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8CNS
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![BU of 8cns by Molmil](/molmil-images/mine/8cns) | The Hybrid Cluster Protein from the thermophilic methanogen Methanothermococcus thermolithotrophicus in a mixed redox state after soaking with hydroxylamine, at 1.36-A resolution. | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, ... | Authors: | Lemaire, O.N, Wagner, T. | Deposit date: | 2023-02-24 | Release date: | 2023-04-19 | Last modified: | 2023-06-07 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Structural and biochemical elucidation of class I hybrid cluster protein natively extracted from a marine methanogenic archaeon. Front Microbiol, 14, 2023
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8CNR
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![BU of 8cnr by Molmil](/molmil-images/mine/8cnr) | Hybrid Cluster Protein from the thermophilic methanogen Methanothermococcus thermolithotrophicus as isolated in a reduced state at 1.45-A resolution | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, 2-ETHOXYETHANOL, ... | Authors: | Lemaire, O.N, Wagner, T. | Deposit date: | 2023-02-24 | Release date: | 2023-04-19 | Last modified: | 2023-06-07 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural and biochemical elucidation of class I hybrid cluster protein natively extracted from a marine methanogenic archaeon. Front Microbiol, 14, 2023
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8CNN
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![BU of 8cnn by Molmil](/molmil-images/mine/8cnn) | BeF3 Phospho-HRas GSA complex | Descriptor: | ACETATE ION, BERYLLIUM TRIFLUORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Baumann, P, Jin, Y. | Deposit date: | 2023-02-23 | Release date: | 2023-09-27 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Far-reaching effects of tyrosine64 phosphorylation on Ras revealed with BeF 3 - complexes. Commun Chem, 7, 2024
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8CNH
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![BU of 8cnh by Molmil](/molmil-images/mine/8cnh) | |
8CMW
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![BU of 8cmw by Molmil](/molmil-images/mine/8cmw) | A225L variant of the CODH/ACS complex of C. hydrogenoformans | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CO-methylating acetyl-CoA synthase, ... | Authors: | Ruickoldt, J, Jeoung, J, Lennartz, F, Dobbek, H. | Deposit date: | 2023-02-21 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A225L variant of the CODH/ACS complex of C. hydrogenoformans To Be Published
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8CM6
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![BU of 8cm6 by Molmil](/molmil-images/mine/8cm6) | W-formate dehydrogenase C872A from Desulfovibrio vulgaris - with Formamide | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, CHLORIDE ION, ... | Authors: | Vilela-Alves, G, Mota, C, Oliveira, A.R, Manuel, R.R, Pereira, I.C, Romao, M.J. | Deposit date: | 2023-02-17 | Release date: | 2023-09-27 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (1.416 Å) | Cite: | An allosteric redox switch involved in oxygen protection in a CO 2 reductase. Nat.Chem.Biol., 20, 2024
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8CKE
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![BU of 8cke by Molmil](/molmil-images/mine/8cke) | |