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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8PAR
 | | Crystal structure of human MAP4K1 with an inhibitor, BAY-405 | | 分子名称: | GLYCEROL, Mitogen-activated protein kinase kinase kinase kinase 1, ~{N}-[3,5-bis(fluoranyl)-4-[[3-[1-(trifluoromethyl)cyclopropyl]-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-2,9-dioxa-4-azaspiro[5.5]undec-3-en-3-amine | | 著者 | Schaefer, M. | | 登録日 | 2023-06-08 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2 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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8PAN
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2653 | | 分子名称: | 7-[(1~{S})-1-[4-(aminomethyl)phenoxy]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 (1.25 Å) | | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 2653
To Be Published
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8PAJ
 | | Crystal Structure of a Squalene-Hopene cyclase from Archangium gephyra | | 分子名称: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ... | | 著者 | Worthy, H.L, Isupov, M.N, Littlechild, J.A, Mitchell, D.E. | | 登録日 | 2023-06-08 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Structure of a mesophilic Squalene-Hopene Cyclases from Cystobacter fuscus and Archangium gephyra
To Be Published
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8PAI
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8PAF
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8PA7
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2546 | | 分子名称: | 3-[4-[[[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]amino]methyl]-3-fluoranyl-phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, DIMETHYL SULFOXIDE, ... | | 著者 | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | 登録日 | 2023-06-07 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 2546
To Be Published
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8PA5
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2540 | | 分子名称: | 3-(3-ethoxy-5-methyl-pyridin-4-yl)-7-propan-2-yl-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 | 2023-06-07 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 2540
To Be Published
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8PA4
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2526 | | 分子名称: | 3-[4-(carbamimidamidomethyl)-3-fluoranyl-phenyl]-7-propan-2-yl-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 | 2023-06-07 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 2526
To Be Published
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8PA2
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8PA1
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8P9Y
 | | SARS-CoV-2 S protein S:D614G mutant in 3-down with binding site of an entry inhibitor | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, ... | | 著者 | Adhav, A, Forcada-Nadal, A, Marco-Marin, C, Lopez-Redondo, M.L, Llacer, J.L. | | 登録日 | 2023-06-06 | | 公開日 | 2023-09-27 | | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | | 主引用文献 | C-2 Thiophenyl Tryptophan Trimers Inhibit Cellular Entry of SARS-CoV-2 through Interaction with the Viral Spike (S) Protein.
J.Med.Chem., 66, 2023
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8P9P
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2408 | | 分子名称: | 3-(2-ethoxy-5-fluoranyl-pyridin-3-yl)-7-propan-2-yl-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 | 2023-06-06 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 2408
To Be Published
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8P9M
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8P9L
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB512 | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-azanyl-5-phenyl-phenyl)-5-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)pyridine-2-carboxamide | | 著者 | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | 登録日 | 2023-06-06 | | 公開日 | 2023-07-05 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | | 主引用文献 | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization.
Acs Chem.Biol., 19, 2024
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