8PJ7
 
 | | MLLT3 in complex with compound PFI-6 | | 分子名称: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... | | 著者 | Raux, B, Diaz-Saez, L, Huber, K.V.M, Fedorov, O, Owen, D.R, Londregan, A.T, Bountra, C, Edwards, A, Arrowsmith, C. | | 登録日 | 2023-06-22 | | 公開日 | 2023-11-22 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | | 主引用文献 | Discovery of PFI-6, a small-molecule chemical probe for the YEATS domain of MLLT1 and MLLT3.
Bioorg.Med.Chem.Lett., 98, 2023
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6WDV
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9KMF
 | | The Crystal Structure of dsPETase01 from Biortus | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha/beta hydrolase, ... | | 著者 | Wan, T, Wang, F, Lv, Z, Lin, D, Pan, W, Shang, H, Sun, J. | | 登録日 | 2024-11-16 | | 公開日 | 2025-11-19 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | The Crystal Structure of dsPETase01 from Biortus
To Be Published
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8AM6
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8HY7
 | | EGFR kinase domain mutant "TMLR" with compound 28f | | 分子名称: | Epidermal growth factor receptor, ~{N}-[3-[[6-fluoranyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]quinazolin-4-yl]amino]phenyl]prop-2-enamide | | 著者 | Wang, Y.X, Wu, C.Y. | | 登録日 | 2023-01-06 | | 公開日 | 2023-08-23 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | | 主引用文献 | The crystal structure of EGFR kinase domain(T790M/L858R) in complex with compound 28f
To Be Published
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5XE5
 | | Discovery and structural analysis of a phloretin hydrolase from the opportunistic pathogen Mycobacterium abscessus | | 分子名称: | 1,2-ETHANEDIOL, MAGNESIUM ION, phloretin hydrolase | | 著者 | He, Y.X, Han, J.T, Jia, W.J, Zhang, Z. | | 登録日 | 2017-04-01 | | 公開日 | 2018-05-02 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | Discovery and structural analysis of a phloretin hydrolase from the opportunistic human pathogen Mycobacterium abscessus.
FEBS J., 2019
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7UBK
 | | Transcription antitermination factor Qlambda, type-II crystal | | 分子名称: | 1,2-ETHANEDIOL, Antitermination protein Q, CHLORIDE ION, ... | | 著者 | Yin, Z, Ebright, R.H. | | 登録日 | 2022-03-15 | | 公開日 | 2022-09-28 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | In transcription antitermination by Q lambda , NusA induces refolding of Q lambda to form a nozzle that extends the RNA polymerase RNA-exit channel.
Proc.Natl.Acad.Sci.USA, 119, 2022
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9ATV
 | | X-ray co-crystal structure of NCGC00685960 / NCATS-SM9335 in NNMT | | 分子名称: | (8M)-8-{3-[(3S)-1-(2-cyclohexylethyl)piperidin-3-yl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}quinolin-2(1H)-one, Nicotinamide N-methyltransferase | | 著者 | Olland, A, White, A, Suto, R. | | 登録日 | 2024-02-27 | | 公開日 | 2025-03-05 | | 最終更新日 | 2025-10-08 | | 実験手法 | X-RAY DIFFRACTION (2.413 Å) | | 主引用文献 | NNMT inhibition in cancer-associated fibroblasts restores antitumour immunity.
Nature, 645, 2025
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8FKQ
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6SEQ
 | | Lemur tyrosine kinase 3 (LMTK3) | | 分子名称: | Serine/threonine-protein kinase LMTK3 | | 著者 | Roe, S.M, Owen, R. | | 登録日 | 2019-07-30 | | 公開日 | 2020-11-25 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The structure-function relationship of oncogenic LMTK3.
Sci Adv, 6, 2020
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8QH9
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7OQ9
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7OQA
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6ZGL
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5D5Z
 | | Structure of Chaetomium thermophilum Skn7 coiled-coil domain, crystal form II | | 分子名称: | Putative transcription factor | | 著者 | Neudegger, T, Verghese, J, Hayer-Hartl, M, Bracher, A, Hartl, F.U. | | 登録日 | 2015-08-11 | | 公開日 | 2015-12-30 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structure of human heat-shock transcription factor 1 in complex with DNA.
Nat.Struct.Mol.Biol., 23, 2016
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6HOV
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8Q00
 | | TssM-Ub-PA complex - A USP-like DUB from B. pseudomallei (193-430) reacted with Ub-PA | | 分子名称: | 1,2-ETHANEDIOL, CITRATE ANION, Polyubiquitin-B, ... | | 著者 | Uthoff, M, Hermanns, T, Hofmann, K, Baumann, U. | | 登録日 | 2023-07-27 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | The structural basis for deubiquitination by the fingerless USP-type effector TssM.
Life Sci Alliance, 7, 2024
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8AJ1
 | | SARS-CoV-2 Mpro in Complex with RK-107 | | 分子名称: | (2R,3S)-3-[[(2S)-3-cyclopropyl-2-[2-oxidanylidene-3-(phenylcarbamoylamino)pyridin-1-yl]propanoyl]amino]-N-methyl-2-oxidanyl-4-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butanamide, 3C-like proteinase nsp5 | | 著者 | El Kilani, H, Hilgenfeld, R. | | 登録日 | 2022-07-27 | | 公開日 | 2024-09-11 | | 最終更新日 | 2025-01-29 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure-Based Optimization of Pyridone alpha-Ketoamides as Inhibitors of the SARS-CoV-2 Main Protease.
J.Med.Chem., 2025
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6Z5B
 | | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2003128 | | 分子名称: | 6-(2-methoxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one, DIMETHYL SULFOXIDE, Serine/threonine-protein kinase haspin | | 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 (1.9 Å) | | 主引用文献 | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2003128
To Be Published
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5XMW
 | | Selenomethionine-derivated ZHD | | 分子名称: | Zearalenone lactonase | | 著者 | Hu, X.J. | | 登録日 | 2017-05-16 | | 公開日 | 2018-04-25 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | The structure of a complex of the lactonohydrolase zearalenone hydrolase with the hydrolysis product of zearalenone at 1.60 angstrom resolution
Acta Crystallogr F Struct Biol Commun, 73, 2017
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6ZAB
 | | Structure of the transcriptional repressor Atu1419 (VanR) from agrobacterium fabrum in complex a palindromic DNA (P6422 space group) | | 分子名称: | 1,2-ETHANEDIOL, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Morera, S, Naretto, A, Vigouroux, A, Legrand, P. | | 登録日 | 2020-06-05 | | 公開日 | 2020-12-02 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Characterization of the first tetrameric transcription factor of the GntR superfamily with allosteric regulation from the bacterial pathogen Agrobacterium fabrum.
Nucleic Acids Res., 49, 2021
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7P4O
 | | Crystal structure of Autotaxin and 9(R)-delta6a,10a-THC | | 分子名称: | (9~{R},10~{a}~{S})-6,6,9-trimethyl-3-pentyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7alpha-hydroxycholesterol, ... | | 著者 | Eymery, M.C, McCarthy, A.A, Hausmann, J. | | 登録日 | 2021-07-12 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Linking medicinal cannabis to autotaxin-lysophosphatidic acid signaling.
Life Sci Alliance, 6, 2023
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8WT0
 | | The toxin-antitoxin complex Fic-1-AntF is a deAMPylase that regulates the activity of DNA gyrase | | 分子名称: | Cell filamentation protein Fic, D(-)-TARTARIC ACID, DUF2559 domain-containing protein, ... | | 著者 | Chen, F.R, Guo, L.W, Lu, C.H, Jiang, W.J, Luo, Z.Q, Liu, J.F, Zhang, L.Q. | | 登録日 | 2023-10-17 | | 公開日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | The toxin-antitoxin complex Fic-1-AntF is a deAMPylase that regulates the activity of DNA gyrase
To Be Published
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8B8K
 | | Cryo-EM structure of Ca2+-bound mTMEM16F N562A mutant in Digitonin closed/closed | | 分子名称: | 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Anoctamin-6, CALCIUM ION | | 著者 | Arndt, M, Alvadia, C, Straub, M.S, Clerico-Mosina, V, Paulino, C, Dutzler, R. | | 登録日 | 2022-10-04 | | 公開日 | 2022-11-16 | | 最終更新日 | 2024-11-13 | | 実験手法 | ELECTRON MICROSCOPY (3.01 Å) | | 主引用文献 | Structural basis for the activation of the lipid scramblase TMEM16F.
Nat Commun, 13, 2022
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7R60
 | | BTK in complex with 18A | | 分子名称: | 2-(4-phenoxyphenoxy)-5-[(3R)-1-(prop-2-enoyl)piperidin-3-yl]pyridine-3-carboxamide, Tyrosine-protein kinase BTK | | 著者 | Gardberg, A. | | 登録日 | 2021-06-22 | | 公開日 | 2021-10-06 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Discovery of Covalent Bruton's Tyrosine Kinase Inhibitors with Decreased CYP2C8 Inhibitory Activity.
Chemmedchem, 16, 2021
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