8PDC
 
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8PDA
 | | cryo-EM structure of Doa10 with RING domain in MSP1E3D1 | | 分子名称: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE, ERAD-associated E3 ubiquitin-protein ligase DOA10 | | 著者 | Botsch, J.J, Braeuning, B, Schulman, B.A. | | 登録日 | 2023-06-12 | | 公開日 | 2024-01-17 | | 実験手法 | ELECTRON MICROSCOPY (3.58 Å) | | 主引用文献 | Doa10/MARCH6 architecture interconnects E3 ligase activity with lipid-binding transmembrane channel to regulate SQLE.
Nat Commun, 15, 2024
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8PD6
 | | Crystal structure of the TRIM58 PRY-SPRY domain in complex with TRIM-473 | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, E3 ubiquitin-protein ligase TRIM58, ... | | 著者 | Renatus, M, Hoegenauer, K, Schroeder, M. | | 登録日 | 2023-06-11 | | 公開日 | 2024-01-31 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Discovery of Ligands for TRIM58, a Novel Tissue-Selective E3 Ligase.
Acs Med.Chem.Lett., 14, 2023
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8PD4
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8PD1
 | | Pseudomonas aeruginosa FabF C164A mutant in complex with N-isopropyl-1H-imidazole-4-carboxamide | | 分子名称: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Georgiou, C, Brenk, R, Yadrykhinsky, V, Espeland, L.O. | | 登録日 | 2023-06-11 | | 公開日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
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8PD0
 | | cryo-EM structure of Doa10 in MSP1E3D1 | | 分子名称: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE, ERAD-associated E3 ubiquitin-protein ligase DOA10 | | 著者 | Botsch, J.J, Braeuning, B, Schulman, B.A. | | 登録日 | 2023-06-11 | | 公開日 | 2024-01-17 | | 実験手法 | ELECTRON MICROSCOPY (3.58 Å) | | 主引用文献 | Doa10/MARCH6 architecture interconnects E3 ligase activity with lipid-binding transmembrane channel to regulate SQLE.
Nat Commun, 15, 2024
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8PC7
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8PBW
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8PBT
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8PBS
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8PBO
 | | Deep interactome learning for generative drug design | | 分子名称: | 3-[2-fluoranyl-4-[3-[2-fluoranyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)phenoxy]propoxy]phenyl]propanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor gamma, ... | | 著者 | Hakansson, M, Focht, D, Atz, K, Schneider, G. | | 登録日 | 2023-06-09 | | 公開日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Prospective de novo drug design with deep interactome learning.
Nat Commun, 15, 2024
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8PBN
 | | Mutant R1789Q of the dihydroorotase domain of human CAD protein bound to the inhibitor fluoorotate | | 分子名称: | 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD protein, FORMIC ACID, ... | | 著者 | del Cano-Ochoa, F, Ramon-Maiques, S. | | 登録日 | 2023-06-09 | | 公開日 | 2023-11-01 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | Beyond genetics: Deciphering the impact of missense variants in CAD deficiency.
J Inherit Metab Dis, 46, 2023
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8PBM
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8PBK
 | | Mutant R1722W of the dihydroorotase domain of human CAD protein bound to the inhibitor fluoorotate | | 分子名称: | 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD protein, FORMIC ACID, ... | | 著者 | del Cano-Ochoa, F, Ramon-Maiques, S. | | 登録日 | 2023-06-09 | | 公開日 | 2023-11-01 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Beyond genetics: Deciphering the impact of missense variants in CAD deficiency.
J Inherit Metab Dis, 46, 2023
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8PBJ
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8PBG
 | | Mutant K1556T of the dihydroorotase domain of human CAD protein bound to the inhibitor fluoroorotate | | 分子名称: | 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD protein, FORMIC ACID, ... | | 著者 | del Cano-Ochoa, F, Ramon-Maiques, S. | | 登録日 | 2023-06-09 | | 公開日 | 2023-11-01 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Beyond genetics: Deciphering the impact of missense variants in CAD deficiency.
J Inherit Metab Dis, 46, 2023
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8PBE
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8PB9
 | | Cryo-EM structure of the c-di-GMP-bound FleQ-FleN master regulator complex from Pseudomonas aeruginosa | | 分子名称: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Antiactivator FleN, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | 著者 | Torres-Sanchez, L.T, Krasteva, P.V. | | 登録日 | 2023-06-08 | | 公開日 | 2023-12-13 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Structures of the P. aeruginosa FleQ-FleN master regulators reveal large-scale conformational switching in motility and biofilm control.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8PB8
 | | PsiM in complex with SAH | | 分子名称: | CHLORIDE ION, HEXAETHYLENE GLYCOL, Psilocybin synthase, ... | | 著者 | Werten, S, Hudspeth, J, Rupp, B. | | 登録日 | 2023-06-08 | | 公開日 | 2024-04-03 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (2.531 Å) | | 主引用文献 | Methyl transfer in psilocybin biosynthesis.
Nat Commun, 15, 2024
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8PB0
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2696 | | 分子名称: | 7-[(1~{S})-1-[4-[[[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]amino]methyl]-1,2,3-triazol-1-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | 著者 | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | 登録日 | 2023-06-08 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 2696
To Be Published
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8PAZ
 | | OXIDIZED NATIVE PSEUDOAZURIN FROM A. FAECALIS | | 分子名称: | COPPER (II) ION, PSEUDOAZURIN | | 著者 | Adman, E.T, Libeu, C.A.P. | | 登録日 | 1997-02-24 | | 公開日 | 1997-08-20 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Site-directed mutants of pseudoazurin: explanation of increased redox potentials from X-ray structures and from calculation of redox potential differences.
Biochemistry, 36, 1997
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8PAY
 | | Structure of the E.coli DNA polymerase sliding clamp with a covalently bound peptide 2. | | 分子名称: | ACE-GLN-ALC-GLC-LEU-PHE, Beta sliding clamp, GLYCEROL, ... | | 著者 | Compain, G, Monsarrat, C, Blagojevic, J, Brillet, K, Dumas, P, Hammann, P, Kuhn, L, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Burnouf, D, wagner, J, Guichard, G. | | 登録日 | 2023-06-08 | | 公開日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | | 主引用文献 | Peptide-Based Covalent Inhibitors Bearing Mild Electrophiles to Target a Conserved His Residue of the Bacterial Sliding Clamp.
Jacs Au, 4, 2024
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8PAW
 | | Crystal structure of MST1 with a MAP4K1 SMOL inhibitor | | 分子名称: | 1-[3,5-bis(fluoranyl)-4-[[3-(1-propan-2-ylpyrazol-3-yl)-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-3-(2-methoxyethyl)urea, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, ASPARTIC ACID, ... | | 著者 | Friberg, A. | | 登録日 | 2023-06-08 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Identification and optimization of Azaindole based MAP4K1 Inhibitors and the discovery of BAY-405
To Be Published
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8PAV
 | | Crystal structure of MST1 with a MAP4K1 SMOL inhibitor | | 分子名称: | 1-[3,5-bis(fluoranyl)-4-[[3-(1,3-thiazol-5-yl)-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-3-(2-methoxyethyl)urea, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, GLYCEROL, ... | | 著者 | Friberg, A. | | 登録日 | 2023-06-08 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Identification and optimization of Azaindole based MAP4K1 Inhibitors and the discovery of BAY-405
To Be Published
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8PAT
 | | Structure of the E.coli DNA polymerase sliding clamp with a covalently bound peptide 3. | | 分子名称: | ACE-GLN-ALC-GLX-LEU-PHE, Beta sliding clamp | | 著者 | Compain, G, Monsarrat, C, Blagojevic, J, Brillet, K, Dumas, P, Hammann, P, Kuhn, L, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Burnouf, D, Guichard, G. | | 登録日 | 2023-06-08 | | 公開日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Peptide-Based Covalent Inhibitors Bearing Mild Electrophiles to Target a Conserved His Residue of the Bacterial Sliding Clamp.
Jacs Au, 4, 2024
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