6GL0
 
 | | Structure of ZgEngAGH5_4 in complex with a cellotriose | | 分子名称: | Endoglucanase, family GH5, MAGNESIUM ION, ... | | 著者 | Dorival, J, Ruppert, S, Gunnoo, M, Orlowski, A, Chapelais, M, Dabin, J, Labourel, A, Thompson, D, Michel, G, Czjzek, M, Genicot, S. | | 登録日 | 2018-05-22 | | 公開日 | 2018-10-31 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The laterally acquired GH5ZgEngAGH5_4from the marine bacteriumZobellia galactanivoransis dedicated to hemicellulose hydrolysis.
Biochem. J., 475, 2018
|
|
8QLP
 | | CryoEM structure of the RNA/DNA bound SPARTA (BabAgo/TIR-APAZ) tetrameric complex | | 分子名称: | DNA (5'-D(*AP*CP*TP*AP*AP*TP*AP*GP*AP*TP*TP*AP*GP*AP*GP*CP*CP*GP*TP*C)-3'), MAGNESIUM ION, RNA (5'-R(*AP*UP*GP*AP*CP*GP*GP*CP*UP*CP*UP*AP*AP*UP*CP*UP*AP*UP*UP*AP*GP*U)-3'), ... | | 著者 | Finocchio, G, Koopal, B, Potocnik, A, Heijstek, C, Jinek, M, Swarts, D. | | 登録日 | 2023-09-20 | | 公開日 | 2024-01-31 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (3.14 Å) | | 主引用文献 | Target DNA-dependent activation mechanism of the prokaryotic immune system SPARTA.
Nucleic Acids Res., 52, 2024
|
|
8F6A
 | |
7S4U
 | | Cryo-EM structure of Cas9 in complex with 12-14MM DNA substrate, 5 minute time-point | | 分子名称: | CRISPR-associated endonuclease Cas9/Csn1, Non-target strand, Target strand, ... | | 著者 | Bravo, J.P.K, Taylor, D.W, Liu, M.S, Johnson, K.A. | | 登録日 | 2021-09-09 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (3.56 Å) | | 主引用文献 | Structural basis for mismatch surveillance by CRISPR-Cas9.
Nature, 603, 2022
|
|
7SAS
 | | Cryo-EM structure of TMEM106B fibrils extracted from a FTLD-TDP patient, polymorph 3 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B | | 著者 | Cao, Q, Jiang, Y, Sawaya, M.R, Eisenberg, D.S. | | 登録日 | 2021-09-23 | | 公開日 | 2022-03-09 | | 最終更新日 | 2022-05-25 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Amyloid fibrils in FTLD-TDP are composed of TMEM106B and not TDP-43.
Nature, 605, 2022
|
|
8F66
 | |
6YU4
 | | Crystal structure of MhsT in complex with L-4F-phenylalanine | | 分子名称: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 4-FLUORO-L-PHENYLALANINE, DODECYL-BETA-D-MALTOSIDE, ... | | 著者 | Focht, D, Neumann, C, Lyons, J, Eguskiza Bilbao, A, Blunck, R, Malinauskaite, L, Schwarz, I.O, Javitch, J.A, Quick, M, Nissen, P. | | 登録日 | 2020-04-25 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | A non-helical region in transmembrane helix 6 of hydrophobic amino acid transporter MhsT mediates substrate recognition.
Embo J., 40, 2021
|
|
6QH5
 | | AP2 clathrin adaptor mu2T156-phosphorylated core in closed conformation | | 分子名称: | AP-2 complex subunit alpha, AP-2 complex subunit beta, AP-2 complex subunit mu, ... | | 著者 | Wrobel, A.G, Owen, D.J, McCoy, A.J, Evans, P.R. | | 登録日 | 2019-01-15 | | 公開日 | 2019-09-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | | 主引用文献 | Temporal Ordering in Endocytic Clathrin-Coated Vesicle Formation via AP2 Phosphorylation.
Dev.Cell, 50, 2019
|
|
8V3B
 | |
6Z4E
 | | The structure of the C-terminal domain of RssB from E. coli | | 分子名称: | Regulator of RpoS | | 著者 | Zeth, K, Dimce, M, Terrence, D.M, Schuenemann, V, Dougan, D. | | 登録日 | 2020-05-25 | | 公開日 | 2020-07-29 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Insight into the RssB-Mediated Recognition and Delivery of sigma s to the AAA+ Protease, ClpXP.
Biomolecules, 10, 2020
|
|
8QEE
 | | S. cerevisia Niemann-Pick type C protein NCR1 in Peptidisc at pH 7.5 | | 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, CHOLESTEROL HEMISUCCINATE, ... | | 著者 | Frain, K.M, Dedic, E, Nel, L, Olesen, E, Stokes, D, Panyella Pedersen, B. | | 登録日 | 2023-08-31 | | 公開日 | 2023-10-18 | | 最終更新日 | 2024-04-17 | | 実験手法 | ELECTRON MICROSCOPY (2.43 Å) | | 主引用文献 | Conformational changes in the Niemann-Pick type C1 protein NCR1 drive sterol translocation.
Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
6Q5J
 | | Crystal structure of a CC-Hex mutant that forms a parallel six-helix coiled coil CC-Hex*-L24E | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CC-Hex*-L24E | | 著者 | Rhys, G.G, Wood, C.W, Beesley, J.L, Brady, R.L, Woolfson, D.N. | | 登録日 | 2018-12-09 | | 公開日 | 2019-05-22 | | 最終更新日 | 2019-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Navigating the Structural Landscape of De Novo alpha-Helical Bundles.
J.Am.Chem.Soc., 141, 2019
|
|
6FOY
 | |
6G95
 | | Crystal structure of Ebolavirus glycoprotein in complex with thioridazine | | 分子名称: | 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | 著者 | Zhao, Y, Ren, J, Fry, E.E, Xiao, J, Townsend, A.R, Stuart, D.I. | | 登録日 | 2018-04-10 | | 公開日 | 2018-05-23 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | Structures of Ebola Virus Glycoprotein Complexes with Tricyclic Antidepressant and Antipsychotic Drugs.
J. Med. Chem., 61, 2018
|
|
8FRL
 | | Acinetobacter baylyi LptB2FG bound to lipopolysaccharide and a macrocyclic peptide | | 分子名称: | (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-5-[(2~{S},3~{S},4~{R},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{R},5~{S},6~{R})-6-[(1~{S})-2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)-5-phosphonooxy-oxan-2-yl]oxy-3-oxidanyl-5-phosphonooxy-oxan-2-yl]oxy-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, (7S,10S,13S,17P)-10-(4-aminobutyl)-7-(3-aminopropyl)-17-(6-aminopyridin-3-yl)-20-chloro-13-[(1H-indol-3-yl)methyl]-12-methyl-6,7,9,10,12,13,15,16-octahydropyrido[2,3-b][1,5,8,11,14]benzothiatetraazacycloheptadecine-8,11,14(5H)-trione, DODECYL-BETA-D-MALTOSIDE, ... | | 著者 | Pahil, K.S, Gilman, M.S.A, Kruse, A.C, Kahne, D. | | 登録日 | 2023-01-07 | | 公開日 | 2024-01-03 | | 最終更新日 | 2024-01-31 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | A new antibiotic traps lipopolysaccharide in its intermembrane transporter.
Nature, 625, 2024
|
|
8VCN
 | | GluER mutant - W66F F269Y Q293T F68Y T36E P263L | | 分子名称: | ACETATE ION, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | | 著者 | Jeffrey, P.D, Sorigue, D.R, Liu, Y, Hyster, T.K. | | 登録日 | 2023-12-14 | | 公開日 | 2024-03-13 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Asymmetric Synthesis of alpha-Chloroamides via Photoenzymatic Hydroalkylation of Olefins.
J.Am.Chem.Soc., 146, 2024
|
|
8FRN
 | | Acinetobacter baylyi LptB2FG bound to lipopolysaccharide and Zosurabalpin | | 分子名称: | (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-5-[(2~{S},3~{S},4~{R},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{R},5~{S},6~{R})-6-[(1~{S})-2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)-5-phosphonooxy-oxan-2-yl]oxy-3-oxidanyl-5-phosphonooxy-oxan-2-yl]oxy-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, DODECYL-BETA-D-MALTOSIDE, LPS export ABC transporter permease LptG, ... | | 著者 | Pahil, K.S, Gilman, M.S.A, Kruse, A.C, Kahne, D. | | 登録日 | 2023-01-07 | | 公開日 | 2024-01-03 | | 最終更新日 | 2024-01-31 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | A new antibiotic traps lipopolysaccharide in its intermembrane transporter.
Nature, 625, 2024
|
|
5ICD
 | | REGULATION OF AN ENZYME BY PHOSPHORYLATION AT THE ACTIVE SITE | | 分子名称: | ISOCITRATE DEHYDROGENASE, ISOCITRIC ACID, MAGNESIUM ION | | 著者 | Hurley, J.H, Dean, A.M, Sohl, J.L, Koshlandjunior, D.E, Stroud, R.M. | | 登録日 | 1990-05-30 | | 公開日 | 1991-10-15 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Regulation of an enzyme by phosphorylation at the active site.
Science, 249, 1990
|
|
5LP1
 | |
7QCP
 | |
8V8J
 | | PI3Ka H1047R co-crystal structure with inhibitors in two cryptic pockets (compounds 4 and 5). | | 分子名称: | (2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide, 2-({(1R)-1-[2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethyl-4-oxo-4H-1-benzopyran-8-yl]ethyl}amino)benzoic acid, N-{(3S)-3-(2-methylphenyl)-6-[(oxetan-3-yl)amino]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-1-benzothiophene-3-carboxamide, ... | | 著者 | Gunn, R.J, Lawson, J.D. | | 登録日 | 2023-12-05 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (3.35 Å) | | 主引用文献 | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein.
J.Med.Chem., 67, 2024
|
|
7QZH
 | | SFX structure of dye-type peroxidase DtpB D152A variant in the ferric state | | 分子名称: | Dyp-type peroxidase family, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Lucic, M, Worrall, J.A.R, Hough, M.A, Shilova, A, Axford, D.A, Owen, R.L, Tosha, T, Sugimoto, H, Owada, S. | | 登録日 | 2022-01-31 | | 公開日 | 2022-12-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Serial Femtosecond Crystallography Reveals the Role of Water in the One- or Two-Electron Redox Chemistry of Compound I in the Catalytic Cycle of the B-Type Dye-Decolorizing Peroxidase DtpB.
Acs Catalysis, 12, 2022
|
|
7QZE
 | | SFX structure of dye-type peroxidase DtpB D152A variant in the ferryl state | | 分子名称: | Dyp-type peroxidase family, MAGNESIUM ION, OXYGEN ATOM, ... | | 著者 | Lucic, M, Worrall, J.A.R, Hough, M.A, Shilova, A, Axford, D.A, Owen, R.L, Tosha, T, Sugimoto, H, Owada, S. | | 登録日 | 2022-01-31 | | 公開日 | 2022-12-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Serial Femtosecond Crystallography Reveals the Role of Water in the One- or Two-Electron Redox Chemistry of Compound I in the Catalytic Cycle of the B-Type Dye-Decolorizing Peroxidase DtpB.
Acs Catalysis, 12, 2022
|
|
8V8H
 | | PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 4). | | 分子名称: | (2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide, 2-({(1R)-1-[2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethyl-4-oxo-4H-1-benzopyran-8-yl]ethyl}amino)benzoic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | | 著者 | Gunn, R.J, Lawson, J.D. | | 登録日 | 2023-12-05 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (3.58 Å) | | 主引用文献 | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein.
J.Med.Chem., 67, 2024
|
|
6QAW
 | | ERK2 mini-fragment binding | | 分子名称: | Mitogen-activated protein kinase 1, SULFATE ION, [1-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methylazanium | | 著者 | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | 登録日 | 2018-12-19 | | 公開日 | 2019-03-27 | | 最終更新日 | 2019-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
|
|
