8AAO
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![BU of 8aao by Molmil](/molmil-images/mine/8aao) | Crystal structure of the PDZ tandem of syntenin in complex with compound 95 | 分子名称: | (2~{S})-2-[[(2~{S})-3-[4-(5-ethanoyl-2-fluoranyl-phenyl)phenyl]-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)propanoyl]amino]propanoic acid, Syntenin-1 | 著者 | Feracci, M, Barral, K. | 登録日 | 2022-07-01 | 公開日 | 2023-04-26 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.469 Å) | 主引用文献 | Discovery of a PDZ Domain Inhibitor Targeting the Syndecan/Syntenin Protein-Protein Interaction: A Semi-Automated "Hit Identification-to-Optimization" Approach. J.Med.Chem., 66, 2023
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8AAK
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![BU of 8aak by Molmil](/molmil-images/mine/8aak) | Crystal structure of the PDZ tandem of syntenin in complex with compound 29 | 分子名称: | (2~{S})-2-[[(2~{S})-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)-3-phenyl-propanoyl]amino]propanoic acid, GLYCEROL, Syntenin-1 | 著者 | Feracci, M, Barral, K. | 登録日 | 2022-07-01 | 公開日 | 2023-04-26 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.554 Å) | 主引用文献 | Discovery of a PDZ Domain Inhibitor Targeting the Syndecan/Syntenin Protein-Protein Interaction: A Semi-Automated "Hit Identification-to-Optimization" Approach. J.Med.Chem., 66, 2023
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8AAI
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8AAC
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8AAA
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![BU of 8aaa by Molmil](/molmil-images/mine/8aaa) | Crystal structure of SARS-CoV-2 S RBD in complex with a stapled peptide | 分子名称: | 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one, Spike protein S1, Stapled peptide | 著者 | Brear, P, Chen, L, Gaynor, K, Harman, M, Dods, R, Hyvonen, M. | 登録日 | 2022-06-30 | 公開日 | 2023-06-28 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Multivalent bicyclic peptides are an effective antiviral modality that can potently inhibit SARS-CoV-2. Nat Commun, 14, 2023
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8AA9
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8AA7
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![BU of 8aa7 by Molmil](/molmil-images/mine/8aa7) | Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme coordinated fragment | 分子名称: | 2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole, Cytochrome P450 protein, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Snee, M, Katariya, M, Levy, C, Leys, D. | 登録日 | 2022-06-30 | 公開日 | 2023-07-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme coordinated fragment To Be Published
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8A9Z
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![BU of 8a9z by Molmil](/molmil-images/mine/8a9z) | Tubulin-[1,2]oxazoloisoindole-2e complex | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7-[(3,5-dimethoxyphenyl)methyl]pyrrolo[3,4-g][1,2]benzoxazole, CALCIUM ION, ... | 著者 | Prota, A.E, Abel, A.-C, Steinmetz, M.O, Barraja, P, Montalbano, A, Spano, V. | 登録日 | 2022-06-29 | 公開日 | 2022-11-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.294 Å) | 主引用文献 | Development of [1,2]oxazoloisoindoles tubulin polymerization inhibitors: Further chemical modifications and potential therapeutic effects against lymphomas. Eur.J.Med.Chem., 243, 2022
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8A9T
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![BU of 8a9t by Molmil](/molmil-images/mine/8a9t) | Tubulin-[1,2]oxazoloisoindole-1 complex | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Prota, A.E, Abel, A.-C, Steinmetz, M.O, Barraja, P, Montalbano, A, Spano, V. | 登録日 | 2022-06-29 | 公開日 | 2022-11-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.304 Å) | 主引用文献 | Development of [1,2]oxazoloisoindoles tubulin polymerization inhibitors: Further chemical modifications and potential therapeutic effects against lymphomas. Eur.J.Med.Chem., 243, 2022
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8A9O
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8A9N
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![BU of 8a9n by Molmil](/molmil-images/mine/8a9n) | Structure of DpA polyamine acetyltransferase in complex with 1,3-DAP | 分子名称: | 1,3-DIAMINOPROPANE, Acetyltransferase, COENZYME A, ... | 著者 | Garcia-Pino, A, Jurenas, D. | 登録日 | 2022-06-28 | 公開日 | 2023-07-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.854 Å) | 主引用文献 | A polyamine acetyltransferase regulates the motility and biofilm formation of Acinetobacter baumannii. Nat Commun, 14, 2023
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8A9K
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![BU of 8a9k by Molmil](/molmil-images/mine/8a9k) | Cryo-EM structure of USP1-UAF1 bound to FANCI and mono-ubiquitinated FANCD2 with ML323 (consensus reconstruction) | 分子名称: | 5-methyl-2-(2-propan-2-ylphenyl)-~{N}-[[4-(1,2,3-triazol-1-yl)phenyl]methyl]pyrimidin-4-amine, DNA (61-MER), Fanconi anemia group D2 protein, ... | 著者 | Rennie, M.L, Walden, H. | 登録日 | 2022-06-28 | 公開日 | 2022-10-12 | 最終更新日 | 2023-03-01 | 実験手法 | ELECTRON MICROSCOPY (2.85 Å) | 主引用文献 | Cryo-EM reveals a mechanism of USP1 inhibition through a cryptic binding site. Sci Adv, 8, 2022
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8A9G
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![BU of 8a9g by Molmil](/molmil-images/mine/8a9g) | Binary complex of 14-3-3 zeta Glucocorticoid Receptor (GR) pT524 peptide stabilised by (R)-para chloropyrrolidone1 | 分子名称: | 14-3-3 protein zeta/delta, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-[(2~{R})-3-(4-chlorophenyl)carbonyl-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-1-yl]-2-oxidanyl-benzoic acid, ... | 著者 | Munier, C.C, Edman, K, Perry, M.W.D, Ottmann, C. | 登録日 | 2022-06-28 | 公開日 | 2022-12-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.961 Å) | 主引用文献 | Designing Selective Drug-like Molecular Glues for the Glucocorticoid Receptor/14-3-3 Protein-Protein Interaction. J.Med.Chem., 65, 2022
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8A90
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![BU of 8a90 by Molmil](/molmil-images/mine/8a90) | Crystal structure of FrsH | 分子名称: | ACETATE ION, FE (III) ION, GLYCEROL, ... | 著者 | Schneberger, N, Wirtz, D.A, Cruesemann, M, Hagelueken, G. | 登録日 | 2022-06-27 | 公開日 | 2023-07-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.574 Å) | 主引用文献 | Adenylation Domain-Guided Recruitment of Trans- Acting Nonheme Monooxygenases in Nonribosomal Peptide Biosynthesis. Acs Chem.Biol., 18, 2023
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8A8Z
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![BU of 8a8z by Molmil](/molmil-images/mine/8a8z) | Crystal structure of Danio rerio HDAC6 CD2 in complex with in situ enzymatically hydrolyzed DFMO-based ITF5924 | 分子名称: | 4-[[4-[4-(imidazolidin-2-ylideneamino)phenyl]-1,2,3-triazol-1-yl]methyl]benzohydrazide, Histone deacetylase 6, POTASSIUM ION, ... | 著者 | Zrubek, K, Sandrone, G, Cukier, C.D, Stevenazzi, A. | 登録日 | 2022-06-27 | 公開日 | 2023-01-25 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Difluoromethyl-1,3,4-oxadiazoles are slow-binding substrate analog inhibitors of histone deacetylase 6 with unprecedented isotype selectivity. J.Biol.Chem., 299, 2022
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8A8X
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![BU of 8a8x by Molmil](/molmil-images/mine/8a8x) | TRIM7 PRYSPRY in complex with a MNV1-NS3 peptide HDDFGLQ | 分子名称: | E3 ubiquitin-protein ligase TRIM7, MNV1-NS3 C term peptide | 著者 | Luptak, J. | 登録日 | 2022-06-24 | 公開日 | 2022-07-06 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | TRIM7 Restricts Coxsackievirus and Norovirus Infection by Detecting the C-Terminal Glutamine Generated by 3C Protease Processing. Viruses, 14, 2022
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8A8O
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![BU of 8a8o by Molmil](/molmil-images/mine/8a8o) | PAPS reductase from Methanothermococcus thermolithotrophicus refined to 1.45 A | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, Alpha-subunit of the PAPS reductase from Methanothermococcus thermolithotrophicus, ... | 著者 | Jespersen, M, Wagner, T. | 登録日 | 2022-06-23 | 公開日 | 2023-04-26 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Assimilatory sulfate reduction in the marine methanogen Methanothermococcus thermolithotrophicus. Nat Microbiol, 8, 2023
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8A8L
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![BU of 8a8l by Molmil](/molmil-images/mine/8a8l) | Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment | 分子名称: | 6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole, Cytochrome P450 protein, GLYCEROL, ... | 著者 | Snee, M, Katariya, M, Levy, C. | 登録日 | 2022-06-23 | 公開日 | 2023-07-05 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment To Be Published
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8A8K
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![BU of 8a8k by Molmil](/molmil-images/mine/8a8k) | |
8A8I
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![BU of 8a8i by Molmil](/molmil-images/mine/8a8i) | Xenobiotic reductase A from Pseudomonas putida in complex with ethyl (Z)-2-(hydroxyimino)-3-oxobutanoate | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | 著者 | Polidori, N, Gruber, K. | 登録日 | 2022-06-23 | 公開日 | 2023-03-01 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines. Acs Catalysis, 13, 2023
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8A8G
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8A8E
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![BU of 8a8e by Molmil](/molmil-images/mine/8a8e) | PPSA C terminal octahedral structure | 分子名称: | Phosphoenolpyruvate synthase | 著者 | Song, W. | 登録日 | 2022-06-22 | 公開日 | 2023-07-05 | 最終更新日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Survival strategies in the heat Lysine acetylation stabilizes the quaternary structure of a Mega-Dalton hyperthermophilic PEP-synthase To Be Published
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8A8D
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8A8C
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![BU of 8a8c by Molmil](/molmil-images/mine/8a8c) | T5 phage receptor-binding protein pb5 bound to ferrichrome transporter FhuA | 分子名称: | Ferrichrome outer membrane transporter/phage receptor, Receptor-binding protein pb5, [(2R,3S,4R,5R,6R)-2-[[(2R,4R,5R,6R)-6-[(1R)-1,2-bis(oxidanyl)ethyl]-4-[(2R,4R,5R,6R)-6-[(1R)-1,2-bis(oxidanyl)ethyl]-2-carboxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-carboxy-5-oxidanyl-oxan-2-yl]oxymethyl]-5-[[(3R)-3-dodecanoyloxytetradecanoyl]amino]-4-(3-nonanoyloxypropanoyloxy)-6-[[(2R,3S,4R,5R,6R)-3-oxidanyl-4-[(3S)-3-oxidanyltetradecanoyl]oxy-5-[[(3R)-3-oxidanyltridecanoyl]amino]-6-phosphonatooxy-oxan-2-yl]methoxy]oxan-3-yl] phosphate | 著者 | Silale, A, van den Berg, B. | 登録日 | 2022-06-22 | 公開日 | 2022-10-05 | 最終更新日 | 2022-11-16 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Structural basis for host recognition and superinfection exclusion by bacteriophage T5. Proc.Natl.Acad.Sci.USA, 119, 2022
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8A82
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![BU of 8a82 by Molmil](/molmil-images/mine/8a82) | Fe(II)/aKG-dependent halogenase OocPQ | 分子名称: | Cupin_8 domain-containing protein, FE (III) ION, GLYCEROL, ... | 著者 | Fraley, A.E, Meoded, R.A, Schmalhofer, M, Bergande, C, Groll, M, Piel, J. | 登録日 | 2022-06-21 | 公開日 | 2023-03-08 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Heterocomplex structure of a polyketide synthase component involved in modular backbone halogenation. Structure, 31, 2023
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