6E5U
 
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6LU7
 | | The crystal structure of COVID-19 main protease in complex with an inhibitor N3 | | 分子名称: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | | 著者 | Liu, X, Zhang, B, Jin, Z, Yang, H, Rao, Z. | | 登録日 | 2020-01-26 | | 公開日 | 2020-02-05 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors.
Nature, 582, 2020
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4FLN
 | | Crystal structure of plant protease Deg2 | | 分子名称: | Protease Do-like 2, chloroplastic, Unknown peptide | | 著者 | Gong, W, Liu, L, Sun, R, Gao, F. | | 登録日 | 2012-06-15 | | 公開日 | 2012-09-19 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystal structure of Arabidopsis deg2 protein reveals an internal PDZ ligand locking the hexameric resting state.
J.Biol.Chem., 287, 2012
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6E4Q
 | | Crystal Structure of the Drosophila Melanogaster Polypeptide N-Acetylgalactosaminyl Transferase PGANT9A in Complex with UDP and Mn2+ | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | 著者 | Samara, N.L, Tabak, L.A, Ten Hagen, K.G. | | 登録日 | 2018-07-18 | | 公開日 | 2018-09-12 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.799 Å) | | 主引用文献 | A molecular switch orchestrates enzyme specificity and secretory granule morphology.
Nat Commun, 9, 2018
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6E4R
 | | Crystal Structure of the Drosophila Melanogaster Polypeptide N-Acetylgalactosaminyl Transferase PGANT9B | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | 著者 | Samara, N.L, Tabak, L.A, Ten Hagen, K.G. | | 登録日 | 2018-07-18 | | 公開日 | 2018-09-12 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.061 Å) | | 主引用文献 | A molecular switch orchestrates enzyme specificity and secretory granule morphology.
Nat Commun, 9, 2018
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5FIV
 | | STRUCTURAL STUDIES OF HIV AND FIV PROTEASES COMPLEXED WITH AN EFFICIENT INHIBITOR OF FIV PR | | 分子名称: | RETROPEPSIN, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate | | 著者 | Li, M, Lee, T, Morris, G, Laco, G, Wong, C, Olson, A, Elder, J, Wlodawer, A, Gustchina, A. | | 登録日 | 1998-12-02 | | 公開日 | 1998-12-09 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural studies of FIV and HIV-1 proteases complexed with an efficient inhibitor of FIV protease
Proteins, 38, 2000
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4WG5
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7T9V
 | | Crystal structure of hSTING with the agonist, SHR171032 | | 分子名称: | (3S,4S)-4-(3-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methoxy-1H-benzimidazol-1-yl}propyl)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide, CALCIUM ION, Stimulator of interferon genes protein | | 著者 | Chowdhury, R, Miller, M. | | 登録日 | 2021-12-20 | | 公開日 | 2022-12-21 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | SHR1032, a novel STING agonist, stimulates anti-tumor immunity and directly induces AML apoptosis.
Sci Rep, 12, 2022
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7T9U
 | | Crystal structure of hSTING with an agonist (SHR169224) | | 分子名称: | (3S,4S)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4-(prop-2-en-1-yl)-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide, CALCIUM ION, Stimulator of interferon genes protein | | 著者 | Chowdhury, R, Miller, M. | | 登録日 | 2021-12-20 | | 公開日 | 2022-12-21 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | SHR1032, a novel STING agonist, stimulates anti-tumor immunity and directly induces AML apoptosis.
Sci Rep, 12, 2022
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7QK4
 | | EED in complex with PRC2 allosteric inhibitor compound 22 (MAK683) | | 分子名称: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | | 著者 | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | | 登録日 | 2021-12-17 | | 公開日 | 2022-04-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.602 Å) | | 主引用文献 | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies.
J.Med.Chem., 65, 2022
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7QJG
 | | EED in complex with PRC2 allosteric inhibitor compound 6 | | 分子名称: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | | 著者 | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | | 登録日 | 2021-12-16 | | 公開日 | 2022-04-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies.
J.Med.Chem., 65, 2022
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7QJU
 | | EED in complex with PRC2 allosteric inhibitor compound 7 | | 分子名称: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | | 著者 | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | | 登録日 | 2021-12-17 | | 公開日 | 2022-04-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies.
J.Med.Chem., 65, 2022
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2REW
 | | Crystal Structure of PPARalpha ligand binding domain with BMS-631707 | | 分子名称: | (2S,3S)-1-(4-METHOXYPHENYL)-3-(3-(2-(5-METHYL-2-PHENYLOXAZOL-4-YL)ETHOXY)BENZYL)-4-OXOAZETIDINE-2-CARBOXYLIC ACID, N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE, Peroxisome proliferator-activated receptor alpha | | 著者 | Muckelbauer, J. | | 登録日 | 2007-09-27 | | 公開日 | 2007-11-27 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Discovery of Azetidinone Acids as Conformationally-Constrained Dual (alpha/gamma) PPAR Activators
To be Published
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3BC5
 | | X-ray crystal structure of human ppar gamma with 2-(5-(3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)-2-phenyl-2h-1,2,3-triazol-4-yl)acetic acid | | 分子名称: | (5-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-2-phenyl-2H-1,2,3-triazol-4-yl)acetic acid, Peroxisome proliferator-activated receptor gamma | | 著者 | Muckelbauer, J.K. | | 登録日 | 2007-11-12 | | 公開日 | 2008-11-18 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Design, synthesis and structure-activity relationships of azole acids as novel, potent dual PPAR alpha/gamma agonists.
Bioorg.Med.Chem.Lett., 19, 2009
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7Z0P
 | | SARS-COV2 Main Protease in complex with inhibitor MG-131 | | 分子名称: | (1~{R},2~{S},5~{S})-3-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-~{N}-[(2~{S},3~{R})-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, SODIUM ION | | 著者 | El Kilani, H, Hilgenfeld, R. | | 登録日 | 2022-02-23 | | 公開日 | 2022-04-27 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | | 主引用文献 | From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease.
Molecules, 27, 2022
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5H19
 | | EED in complex with PRC2 allosteric inhibitor EED162 | | 分子名称: | 5-(furan-2-ylmethylamino)-9-(phenylmethyl)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | | 著者 | Zhao, K, Zhao, M, Luo, X, Zhang, H. | | 登録日 | 2016-10-08 | | 公開日 | 2017-01-25 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED
PLoS ONE, 12, 2017
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4X7Q
 | | PIM2 kinase in complex with Compound 1s | | 分子名称: | 2-(2,6-difluorophenyl)-N-{4-[(3S)-pyrrolidin-3-yloxy]pyridin-3-yl}-1,3-thiazole-4-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-2 | | 著者 | Marcotte, D.J, Silvian, L.F. | | 登録日 | 2014-12-09 | | 公開日 | 2015-02-11 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Structure-based design of low-nanomolar PIM kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
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4WG3
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4WG4
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5GSA
 | | EED in complex with an allosteric PRC2 inhibitor | | 分子名称: | Histone-lysine N-methyltransferase EZH2, N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, Polycomb protein EED | | 著者 | Zhao, K, Zhao, M, Luo, X, Zhang, H. | | 登録日 | 2016-08-15 | | 公開日 | 2017-02-01 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | | 主引用文献 | An allosteric PRC2 inhibitor targeting the H3K27me3 binding pocket of
Nat. Chem. Biol., 13, 2017
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5XKN
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5H25
 | | EED in complex with PRC2 allosteric inhibitor compound 11 | | 分子名称: | 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | | 著者 | Zhao, K, Zhao, M, Luo, X, Zhang, H. | | 登録日 | 2016-10-14 | | 公開日 | 2017-01-25 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | | 主引用文献 | Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy
J. Med. Chem., 60, 2017
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8I88
 | | Cryo-EM structure of TIR-APAZ/Ago-gRNA complex | | 分子名称: | Piwi domain-containing protein, RNA (5'-R(P*GP*A)-3'), TIR domain-containing protein | | 著者 | Zhang, H, Li, Z, Yu, G.M, Li, X.Z, Wang, X.S. | | 登録日 | 2023-02-03 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-09-13 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Structural insights into mechanisms of Argonaute protein-associated NADase activation in bacterial immunity.
Cell Res., 33, 2023
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8IN8
 | | Cryo-EM structure of the target ssDNA-bound SIR2-APAZ/Ago-gRNA quaternary complex | | 分子名称: | DNA (5'-D(P*AP*AP*CP*GP*AP*CP*GP*TP*CP*TP*AP*AP*GP*AP*AP*AP*CP*CP*AP*TP*TP*AP*A)-3'), MAGNESIUM ION, Piwi domain protein, ... | | 著者 | Zhang, H, Li, Z, Yu, G.M, Li, X.Z, Wang, X.S. | | 登録日 | 2023-03-08 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-09-13 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structural insights into mechanisms of Argonaute protein-associated NADase activation in bacterial immunity.
Cell Res., 33, 2023
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5H24
 | | EED in complex with PRC2 allosteric inhibitor compound 8 | | 分子名称: | 5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | | 著者 | Zhao, K, Zhao, M, Luo, X, Zhang, H. | | 登録日 | 2016-10-14 | | 公開日 | 2017-01-25 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy
J. Med. Chem., 60, 2017
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