6ZCI
 
 | | Crystal structure of BRD4-BD1 in complex with NVS-BET-1 | | 分子名称: | (4~{R})-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-methyl-4~{H}-pyrrolo[3,4-c]pyrazol-6-one, Bromodomain-containing protein 4 | | 著者 | Faller, M. | | 登録日 | 2020-06-11 | | 公開日 | 2020-12-23 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.976 Å) | | 主引用文献 | BET bromodomain inhibitors regulate keratinocyte plasticity.
Nat.Chem.Biol., 17, 2021
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7SFD
 | | Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3543105A | | 分子名称: | (2S)-2-({3,5-dicyano-4-ethyl-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyridin-2-yl}sulfanyl)-2-phenylacetamide, 1,2-ETHANEDIOL, DNA (12-MER), ... | | 著者 | Horton, J.R, Pathuri, S, Cheng, X. | | 登録日 | 2021-10-03 | | 公開日 | 2022-03-30 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Structural characterization of dicyanopyridine containing DNMT1-selective, non-nucleoside inhibitors.
Structure, 30, 2022
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8ANK
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6Z5C
 | | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004070 | | 分子名称: | 7,10-Dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxylic acid, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... | | 著者 | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-05-26 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004070
To Be Published
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6Z74
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6O1F
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8ZGR
 | | 80S ribosome with A/A tRNA and mRNA of WNV | | 分子名称: | 25S rRNA (3393-MER), 5.8S rRNA (158-MER), 5S rRNA (121-MER), ... | | 著者 | Wu, M, Yuan, S. | | 登録日 | 2024-05-09 | | 公開日 | 2025-05-21 | | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | | 主引用文献 | Flexibilities and conservations in the structural basis of viral -1 programmed ribosomal frameshifting
To Be Published
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8VXX
 | | Mango II bound to 365A-061 | | 分子名称: | 3-[2-({[(6P)-2-fluoro-6-(1H-pyrazol-1-yl)phenyl]methyl}amino)-2-oxoethyl]-2-[(E)-(1-methylquinolin-4(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium, Chains: A,B,C, POTASSIUM ION | | 著者 | Passalacqua, L.F.M, Ferre-D'Amare, A.R, Schneekloth, J.S. | | 登録日 | 2024-02-06 | | 公開日 | 2025-02-19 | | 最終更新日 | 2025-10-08 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Structure-informed design of an ultrabright RNA-activated fluorophore.
Nat.Chem., 17, 2025
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8VY1
 | | Mango II bound to 365A-088 | | 分子名称: | 3-(2-{[(2-fluorophenyl)methyl]amino}-2-oxoethyl)-2-[(E)-(1-methylquinolin-4(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium, Chains: A,B,C, POTASSIUM ION | | 著者 | Passalacqua, L.F.M, Ferre-D'Amare, A.R, Schneekloth, J.S. | | 登録日 | 2024-02-06 | | 公開日 | 2025-02-19 | | 最終更新日 | 2025-10-08 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Structure-informed design of an ultrabright RNA-activated fluorophore.
Nat.Chem., 17, 2025
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9JU6
 | | Tribolium castaneum ABCH-9C in complex with NBD-ceramide(d36:1) | | 分子名称: | ABC transporter G family member 23-like Protein, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-[(5~{Z},8~{Z},11~{E},14~{E},17~{Z})-icosa-5,8,11,14,17-pentaenoxy]propan-2-yl] octadecanoate, ~{N}-[(~{E},2~{S},3~{R})-18-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]-1,3-bis(oxidanyl)octadec-4-en-2-yl]octadecanamide | | 著者 | Chen, J, Duan, Y, Zhou, Y, Yang, Q. | | 登録日 | 2024-10-07 | | 公開日 | 2025-10-22 | | 実験手法 | ELECTRON MICROSCOPY (3.02 Å) | | 主引用文献 | Structural basis of ceramide transportation and its regulation by ABCH transporter
To Be Published
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6Z4Z
 | | Crystal structure of CLK1 in complex with macrocycle ODS2004070 | | 分子名称: | 7,10-Dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxylic acid, Dual specificity protein kinase CLK1, GLYCEROL, ... | | 著者 | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-05-26 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Crystal structure of CLK1 in complex with macrocycle ODS2004070
To Be Published
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6Z5D
 | | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004082 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 11-methyl-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one, DIMETHYL SULFOXIDE, ... | | 著者 | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-05-26 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004082
To Be Published
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8VXZ
 | | Mango II bound to 365A-084 | | 分子名称: | 3-[2-(benzylamino)-2-oxoethyl]-2-[(E)-(1-methylquinolin-4(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium, Chains: A,B,C, POTASSIUM ION | | 著者 | Passalacqua, L.F.M, Ferre-D'Amare, A.R, Schneekloth, J.S. | | 登録日 | 2024-02-06 | | 公開日 | 2025-02-19 | | 最終更新日 | 2025-10-08 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structure-informed design of an ultrabright RNA-activated fluorophore.
Nat.Chem., 17, 2025
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8VY0
 | | Mango II bound to 365A-087 | | 分子名称: | 2-[(E)-(1-methylquinolin-4(1H)-ylidene)methyl]-3-[2-oxo-2-({[(2P)-2-(1H-pyrazol-1-yl)phenyl]methyl}amino)ethyl]-1,3-benzothiazol-3-ium, Chains: A,B,C, POTASSIUM ION | | 著者 | Passalacqua, L.F.M, Ferre-D'Amare, A.R, Schneekloth, J.S. | | 登録日 | 2024-02-06 | | 公開日 | 2025-02-19 | | 最終更新日 | 2025-10-08 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Structure-informed design of an ultrabright RNA-activated fluorophore.
Nat.Chem., 17, 2025
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8U04
 | | Reductasporine biosynthetic pathway imine reductase RedE, apo | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | 著者 | Daniel-Ivad, P, Ryan, K.S. | | 登録日 | 2023-08-28 | | 公開日 | 2025-03-05 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | An imine reductase that captures reactive intermediates in the biosynthesis of the indolocarbazole reductasporine.
J.Biol.Chem., 300, 2024
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9K0I
 | | Crystal structure of FGFR4 kinase domain with 32a | | 分子名称: | (2~{S})-~{N}-[2-[[5-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{H}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-cyano-3-cyclopropyl-propanamide, Fibroblast growth factor receptor 4, SULFATE ION | | 著者 | Chen, X.J, Chen, Y.H. | | 登録日 | 2024-10-15 | | 公開日 | 2025-10-22 | | 実験手法 | X-RAY DIFFRACTION (2.236 Å) | | 主引用文献 | Crystal structure of FGFR4 kinase domain with 32a
To Be Published
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8AU3
 | | c-MET Y1234E,Y1235E mutant in complex with Tepotinib | | 分子名称: | 3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile, DI(HYDROXYETHYL)ETHER, Hepatocyte growth factor receptor, ... | | 著者 | Graedler, U, Lammens, A. | | 登録日 | 2022-08-25 | | 公開日 | 2023-09-06 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Biophysical and structural characterization of the impacts of MET phosphorylation on tepotinib binding.
J.Biol.Chem., 299, 2023
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8AW1
 | | c-MET Y1235D mutant in complex with Tepotinib | | 分子名称: | 3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile, Hepatocyte growth factor receptor | | 著者 | Graedler, U, Lammens, A. | | 登録日 | 2022-08-29 | | 公開日 | 2023-09-06 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Biophysical and structural characterization of the impacts of MET phosphorylation on tepotinib binding.
J.Biol.Chem., 299, 2023
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6ZDM
 | | Crystal structure of human heparanase in complex with a N',6O'-bis-sulfated 4-methylumbelliferyl heparan sulfate disaccharide | | 分子名称: | (2~{S},3~{S},4~{R},5~{R},6~{S})-3-[(2~{R},3~{R},4~{R},5~{S},6~{R})-4,5-bis(oxidanyl)-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-6-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Wu, L, Davies, G.J. | | 登録日 | 2020-06-14 | | 公開日 | 2020-10-21 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.714 Å) | | 主引用文献 | Structural insights into heparanase activity using a fluorogenic heparan sulfate disaccharide.
Chem.Commun.(Camb.), 56, 2020
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5NBS
 | | Structural studies of a Glycoside Hydrolase Family 3 beta-glucosidase from the Model Fungus Neurospora crassa | | 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, Beta-glucosidase, ... | | 著者 | Gudmundsson, M, Karkehabadi, S, Kaper, T, Sandgren, M. | | 登録日 | 2017-03-02 | | 公開日 | 2018-03-21 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structural studies of a glycoside hydrolase family 3 beta-glucosidase from the model fungus Neurospora crassa.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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9KAI
 | | Crystal Structure of Chalcone Isomerase-like Protein from Physcomitrella patens | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Chalcone-flavonone isomerase family protein, ... | | 著者 | Imaizumi, R, Waki, T, Yasuda, A, Yanai, T, Takeshita, K, Sakai, N, Yamamoto, M, Nakayama, T, Yamashita, S. | | 登録日 | 2024-10-28 | | 公開日 | 2025-10-29 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Structural basis, dynamics, and mode of action of enhancer of flavonoid production in metabolon
To Be Published
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6TZB
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6ZLF
 | | Aerobic crystal structure of F420H2-Oxidase from Methanothermococcus thermolithotrophicus at 1.8A resolution under 125 bars of krypton | | 分子名称: | CHLORIDE ION, Coenzyme F420H2 oxidase (FprA), FLAVIN MONONUCLEOTIDE, ... | | 著者 | Engilberge, S, Wagner, T, Carpentier, P, Girard, E, Shima, S. | | 登録日 | 2020-06-30 | | 公開日 | 2020-11-25 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Krypton-derivatization highlights O 2 -channeling in a four-electron reducing oxidase.
Chem.Commun.(Camb.), 56, 2020
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8E32
 | | E. coli 50S ribosome bound to compound streptogramin analogs SA1 and SB1 | | 分子名称: | (3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-yn-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione, 23S ribosomal RNA, 50S ribosomal protein L13, ... | | 著者 | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | | 登録日 | 2022-08-16 | | 公開日 | 2023-06-28 | | 最終更新日 | 2025-03-19 | | 実験手法 | ELECTRON MICROSCOPY (2.35 Å) | | 主引用文献 | Potential for clicked streptogramin analogs
To Be Published
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8E3M
 | | E. coli 50S ribosome bound to L-linker solithromycin conjugate | | 分子名称: | 50S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L15, ... | | 著者 | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | | 登録日 | 2022-08-17 | | 公開日 | 2023-06-28 | | 最終更新日 | 2025-03-19 | | 実験手法 | ELECTRON MICROSCOPY (2.25 Å) | | 主引用文献 | Solithromycin siderophore conjugates
To Be Published
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