8AEJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8aej by Molmil](/molmil-images/mine/8aej) | |
8AEC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8aec by Molmil](/molmil-images/mine/8aec) | Structure of Compound 17 bound to CK2alpha | 分子名称: | 2-(5-bromanyl-6-chloranyl-1H-indazol-3-yl)ethanenitrile, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | 著者 | Brear, P, De Fusco, C, Atkinson, E, Iegre, I, Francis, N, Venkitaraman, A, Spring, D, Hyvonen, M. | 登録日 | 2022-07-12 | 公開日 | 2022-10-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.09 Å) | 主引用文献 | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action. Rsc Med Chem, 13, 2022
|
|
8AE8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ae8 by Molmil](/molmil-images/mine/8ae8) | |
8AE7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ae7 by Molmil](/molmil-images/mine/8ae7) | The strucuture of Compound 15 bound to CK2alpha | 分子名称: | 2-[5,6-bis(bromanyl)-1H-indazol-3-yl]ethanenitrile, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Brear, P, De Fusco, C, Atkinson, E, Frances, N, Iegre, J, Venkitaraman, A, Hyvonen, M, Spring, D. | 登録日 | 2022-07-12 | 公開日 | 2023-03-29 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action. Rsc Med Chem, 13, 2022
|
|
8AE6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ae6 by Molmil](/molmil-images/mine/8ae6) | |
8ADQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8adq by Molmil](/molmil-images/mine/8adq) | Crystal structure of holo-SwHPA-Mg (hydroxy ketone aldolase) from Sphingomonas wittichii RW1 in complex with hydroxypyruvate and D-Glyceraldehyde | 分子名称: | 3-HYDROXYPYRUVIC ACID, BROMIDE ION, D-Glyceraldehyde, ... | 著者 | Justo, I, Marsden, S.R, Hanefeld, U, Bento, I. | 登録日 | 2022-07-11 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Substrate Induced Movement of the Metal Cofactor between Active and Resting State. Angew.Chem.Int.Ed.Engl., 61, 2022
|
|
8ADM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8adm by Molmil](/molmil-images/mine/8adm) | |
8ADK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8adk by Molmil](/molmil-images/mine/8adk) | |
8ADJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8adj by Molmil](/molmil-images/mine/8adj) | Poly(ADP-ribose) glycohydrolase (PARG) from Drosophila melanogaster in complex with PARG inhibitor PDD00017272 | 分子名称: | 1-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide, CHLORIDE ION, GLYCEROL, ... | 著者 | Ariza, A, Fontana, P. | 登録日 | 2022-07-08 | 公開日 | 2023-06-14 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.508 Å) | 主引用文献 | Serine ADP-ribosylation in Drosophila provides insights into the evolution of reversible ADP-ribosylation signalling. Nat Commun, 14, 2023
|
|
8ADI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8adi by Molmil](/molmil-images/mine/8adi) | Cryo-EM structure of Darobactin 9 bound BAM complex | 分子名称: | Darobactin 9, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ... | 著者 | Yuan, B, Marlovits, T.C. | 登録日 | 2022-07-08 | 公開日 | 2023-01-11 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Darobactins Exhibiting Superior Antibiotic Activity by Cryo-EM Structure Guided Biosynthetic Engineering. Angew.Chem.Int.Ed.Engl., 62, 2023
|
|
8ADG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8adg by Molmil](/molmil-images/mine/8adg) | Cryo-EM structure of Darobactin 22 bound BAM complex | 分子名称: | Darobactin 22, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ... | 著者 | Yuan, B, Marlovits, T.C. | 登録日 | 2022-07-08 | 公開日 | 2023-01-11 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Darobactins Exhibiting Superior Antibiotic Activity by Cryo-EM Structure Guided Biosynthetic Engineering. Angew.Chem.Int.Ed.Engl., 62, 2023
|
|
8ADB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8adb by Molmil](/molmil-images/mine/8adb) | Viral tegument-like DUBs | 分子名称: | CITRIC ACID, Polyubiquitin-C, Wc-VDT1, ... | 著者 | Erven, I, Abraham, E.T, Hermanns, T, Baumann, U, Hofmann, K. | 登録日 | 2022-07-08 | 公開日 | 2023-02-15 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | A widely distributed family of eukaryotic and bacterial deubiquitinases related to herpesviral large tegument proteins. Nat Commun, 13, 2022
|
|
8AD9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ad9 by Molmil](/molmil-images/mine/8ad9) | Crystal structure of ClpC2 C-terminal domain | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Cyclomarin A, ... | 著者 | Taylor, G, Cui, H.J, Leodolter, J, Giese, C, Weber-Ban, E. | 登録日 | 2022-07-08 | 公開日 | 2023-03-29 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | ClpC2 protects mycobacteria against a natural antibiotic targeting ClpC1-dependent protein degradation. Commun Biol, 6, 2023
|
|
8AD8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ad8 by Molmil](/molmil-images/mine/8ad8) | Flavin-dependent tryptophan 6-halogenase Thal in complex with a D-Trp-Ser dipeptide | 分子名称: | D-tryptophyl-L-serine, GLYCEROL, PHOSPHATE ION, ... | 著者 | Gafe, S, Moritzer, A.C, Montua, N, Sewald, N, Niemann, H.H. | 登録日 | 2022-07-08 | 公開日 | 2022-10-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Enzymatic Late-Stage Halogenation of Peptides. Chembiochem, 24, 2023
|
|
8AD7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ad7 by Molmil](/molmil-images/mine/8ad7) | |
8AD0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ad0 by Molmil](/molmil-images/mine/8ad0) | |
8ACY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8acy by Molmil](/molmil-images/mine/8acy) | |
8ACW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8acw by Molmil](/molmil-images/mine/8acw) | |
8ACV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8acv by Molmil](/molmil-images/mine/8acv) | WelO5* bound to Zn(II), Cl, and 2-oxoglutarate | 分子名称: | 2-OXOGLUTARIC ACID, ACETATE ION, CHLORIDE ION, ... | 著者 | Buller, R, Hueppi, S, Voss, M, Hayashi, T. | 登録日 | 2022-07-07 | 公開日 | 2022-11-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Enzyme engineering enables inversion of substrate stereopreference of the halogenase WelO5* Chemcatchem, 2022
|
|
8ACS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8acs by Molmil](/molmil-images/mine/8acs) | Crystal structure of FMO from Janthinobacterium svalbardensis | 分子名称: | DI(HYDROXYETHYL)ETHER, FAD-dependent oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Polidori, N, Galuska, P, Gruber, K. | 登録日 | 2022-07-06 | 公開日 | 2022-09-07 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | A Cold-Active Flavin-Dependent Monooxygenase from Janthinobacterium svalbardensis Unlocks Applications of Baeyer-Villiger Monooxygenases at Low Temperature. Acs Catalysis, 13, 2023
|
|
8ACQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8acq by Molmil](/molmil-images/mine/8acq) | S-layer Deinoxanthin-Binding Complex (SDBC), subunit DR_2577 assembled with its SOD DR_0644 | 分子名称: | (3~{S},5~{R},6~{R})-5-[(3~{S},7~{R},12~{S},16~{S},20~{S})-3,7,12,16,20,24-hexamethyl-24-oxidanyl-pentacosyl]-4,4,6-trimethyl-cyclohexane-1,3-diol, COPPER (II) ION, DR_0644, ... | 著者 | Farci, D, Piano, D. | 登録日 | 2022-07-06 | 公開日 | 2023-04-12 | 実験手法 | ELECTRON MICROSCOPY (2.54 Å) | 主引用文献 | The SDBC is active in quenching oxidative conditions and bridges the cell envelope layers in Deinococcus radiodurans. J.Biol.Chem., 299, 2023
|
|
8ACO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8aco by Molmil](/molmil-images/mine/8aco) | Crystal structure of WT p38alpha | 分子名称: | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, MAGNESIUM ION, Mitogen-activated protein kinase 14 | 著者 | Pous, J, Baginski, B, Gonzalez, L, Macias, M.J, Nebreda, A.R. | 登録日 | 2022-07-05 | 公開日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Crystal structure of WT p38alpha Res Sq
|
|
8ACM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8acm by Molmil](/molmil-images/mine/8acm) | Crystal structure of WT p38alpha | 分子名称: | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, MAGNESIUM ION, Mitogen-activated protein kinase 14 | 著者 | Pous, J, Baginski, B, Gonzalez, L, Macias, M.J, Nebreda, A.R. | 登録日 | 2022-07-05 | 公開日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Crystal structure of WT p38alpha Res Sq
|
|
8ACL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8acl by Molmil](/molmil-images/mine/8acl) | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GC-14 | 分子名称: | (2~{S})-1-(3,4-dichlorophenyl)-4-pyridin-3-ylcarbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5 | 著者 | Strater, N, Muller, C, Sylvester, K, Claff, T, Weisse, R.H, Gao, S, Tollefson, A.E, Liu, X, Zhan, P. | 登録日 | 2022-07-05 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Discovery and Crystallographic Studies of Trisubstituted Piperazine Derivatives as Non-Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity and Low Toxicity. J.Med.Chem., 65, 2022
|
|
8ACK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ack by Molmil](/molmil-images/mine/8ack) | |