5U2R
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6VHE
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5U4X
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![BU of 5u4x by Molmil](/molmil-images/mine/5u4x) | Coactivator-associated arginine methyltransferase 1 with TP-064 | 分子名称: | Histone-arginine methyltransferase CARM1, N-methyl-N-[(2-{1-[2-(methylamino)ethyl]piperidin-4-yl}pyridin-4-yl)methyl]-3-phenoxybenzamide, S-ADENOSYL-L-HOMOCYSTEINE, ... | 著者 | DONG, A, ZENG, H, Saikatendu, K.S, STONE, H, WALKER, J.R, Seitova, A, Hutchinson, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | 登録日 | 2016-12-06 | 公開日 | 2016-12-21 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | TP-064, a potent and selective small molecule inhibitor of PRMT4 for multiple myeloma. Oncotarget, 9, 2018
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5U5L
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![BU of 5u5l by Molmil](/molmil-images/mine/5u5l) | X-ray Crystal Structure of the PPARgamma Ligand Binding Domain in Complex with Rivoglitazone | 分子名称: | (5S)-5-({4-[(6-methoxy-1-methyl-1H-benzimidazol-2-yl)methoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma | 著者 | Bruning, J.B, Rajapaksha, H, Wegener, K, Bhatia, H. | 登録日 | 2016-12-06 | 公開日 | 2017-08-23 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | X-ray crystal structure of rivoglitazone bound to PPAR gamma and PPAR subtype selectivity of TZDs. Biochim. Biophys. Acta, 1861, 2017
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5Y2F
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![BU of 5y2f by Molmil](/molmil-images/mine/5y2f) | Human SIRT6 in complex with allosteric activator MDL-801 | 分子名称: | 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, 9-mer peptide QTARKSTGG, DI(HYDROXYETHYL)ETHER, ... | 著者 | Zhang, J, Huang, Z, Song, K. | 登録日 | 2017-07-25 | 公開日 | 2018-11-07 | 最終更新日 | 2018-11-28 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Identification of a cellularly active SIRT6 allosteric activator. Nat. Chem. Biol., 14, 2018
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5UCJ
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![BU of 5ucj by Molmil](/molmil-images/mine/5ucj) | Hsp90b N-terminal domain with inhibitors | 分子名称: | (5-fluoroisoindolin-2-yl)(4-hydroxy-5-isopropylbenzo[d]isoxazol-7-yl)methanone, DIMETHYL SULFOXIDE, Heat shock protein HSP 90-beta | 著者 | Peng, S, Balch, M, Matts, R, Deng, J. | 登録日 | 2016-12-22 | 公開日 | 2018-01-10 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.693 Å) | 主引用文献 | Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor. Nat Commun, 9, 2018
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5U7Q
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8GEY
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![BU of 8gey by Molmil](/molmil-images/mine/8gey) | Crystal structure of human cellular retinol binding protein 1 in complex with 4-(hydroxymethyl)-1-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)sulfonyl]piperidin-4-ol | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(hydroxymethyl)-1-(4-methoxy-5,6,7,8-tetrahydronaphthalene-1-sulfonyl)piperidin-4-ol, Retinol-binding protein 1 | 著者 | Plau, J, Golczak, M. | 登録日 | 2023-03-07 | 公開日 | 2023-10-04 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Discovery of Nonretinoid Inhibitors of CRBP1: Structural and Dynamic Insights for Ligand-Binding Mechanisms. Acs Chem.Biol., 18, 2023
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8GD2
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![BU of 8gd2 by Molmil](/molmil-images/mine/8gd2) | Crystal structure of human cellular retinol binding protein 1 in complex with N-methyl-1-{3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}-N-(2-thienylmethyl)methanamine | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-methyl-1-{3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}-N-[(thiophen-2-yl)methyl]methanamine, Retinol-binding protein 1 | 著者 | Plau, J, Golczak, M. | 登録日 | 2023-03-03 | 公開日 | 2023-10-04 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | 主引用文献 | Discovery of Nonretinoid Inhibitors of CRBP1: Structural and Dynamic Insights for Ligand-Binding Mechanisms. Acs Chem.Biol., 18, 2023
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5UBT
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![BU of 5ubt by Molmil](/molmil-images/mine/5ubt) | CRYSTAL STRUCTURE OF PI3K DELTA IN COMPLEX WITH A 7-(3-(PIPERAZIN-1-YL)PHENYL)PYRROLO[2,1-F][1,2,4] TRIAZIN-4-AMINE DERIVIATINE | 分子名称: | 1-[4-(3-{4-amino-5-[1-(oxan-4-yl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)piperazin-1-yl]ethan-1-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Sack, J.S. | 登録日 | 2016-12-21 | 公開日 | 2017-02-08 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | 主引用文献 | Discovery of 7-(3-(piperazin-1-yl)phenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine derivatives as highly potent and selective PI3K delta inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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8GEV
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![BU of 8gev by Molmil](/molmil-images/mine/8gev) | Crystal structure of human cellular retinol binding protein 1 in complex with 1-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(methoxymethyl)piperidine | 分子名称: | 1-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(methoxymethyl)piperidine, Retinol-binding protein 1 | 著者 | Plau, J, Golczak, M. | 登録日 | 2023-03-07 | 公開日 | 2023-10-04 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Discovery of Nonretinoid Inhibitors of CRBP1: Structural and Dynamic Insights for Ligand-Binding Mechanisms. Acs Chem.Biol., 18, 2023
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5UCI
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![BU of 5uci by Molmil](/molmil-images/mine/5uci) | Hsp90b N-terminal domain with inhibitors | 分子名称: | (2,4-Dihydroxy-3-(hydroxymethyl)-5-isopropylphenyl)(isoindolin-2-yl)methanone, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Peng, S, Balch, M, Matts, R, Deng, J. | 登録日 | 2016-12-22 | 公開日 | 2018-01-03 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor. Nat Commun, 9, 2018
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8GEU
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![BU of 8geu by Molmil](/molmil-images/mine/8geu) | Crystal structure of human cellular retinol binding protein 1 in complex with methyl({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)[(1-methylpyrazol-4-yl)methyl]amine | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-methyl-1-{3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}-N-[(1-methyl-1H-pyrazol-4-yl)methyl]methanamine, Retinol-binding protein 1 | 著者 | Plau, J, Golczak, M. | 登録日 | 2023-03-07 | 公開日 | 2023-10-11 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Discovery of Nonretinoid Inhibitors of CRBP1: Structural and Dynamic Insights for Ligand-Binding Mechanisms. Acs Chem.Biol., 18, 2023
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5TR6
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![BU of 5tr6 by Molmil](/molmil-images/mine/5tr6) | Discovery of TAK-659, an Orally Available Investigational Inhibitor of Spleen Tyrosine Kinase (SYK) | 分子名称: | 1,2-ETHANEDIOL, 6-{[(1R,2S)-2-aminocyclohexyl]amino}-7-fluoro-4-(1-methyl-1H-pyrazol-4-yl)-1,2-dihydro-3H-pyrrolo[3,4-c]pyridin-3-one, Tyrosine-protein kinase SYK | 著者 | Yano, J, Jennings, A, Lam, B, Hoffman, I.D. | 登録日 | 2016-10-25 | 公開日 | 2016-11-30 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Discovery of TAK-659 an orally available investigational inhibitor of Spleen Tyrosine Kinase (SYK). Bioorg. Med. Chem. Lett., 26, 2016
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6V4V
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5TRU
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![BU of 5tru by Molmil](/molmil-images/mine/5tru) | Structure of the first-in-class checkpoint inhibitor Ipilimumab bound to human CTLA-4 | 分子名称: | Cytotoxic T-lymphocyte protein 4, Ipilimumab Fab heavy chain, Ipilimumab Fab light chain | 著者 | Ramagopal, U.A, Liu, W, Garrett-Thomson, S.C, Yan, Q, Srinivasan, M, Wong, S.C, Bell, A, Mankikar, S, Rangan, V.S, Deshpande, S, Bonanno, J.B, Korman, A.J, Almo, S.C. | 登録日 | 2016-10-27 | 公開日 | 2017-05-10 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structural basis for cancer immunotherapy by the first-in-class checkpoint inhibitor ipilimumab. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6V4T
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![BU of 6v4t by Molmil](/molmil-images/mine/6v4t) | MPER-TMD of HIV-1 Env bound with the entry inhibitor S2C3 | 分子名称: | 4,4'-(decane-1,10-diyl)bis(9-amino-2,3-dihydro-1H-cyclopenta[b]quinolin-4-ium), Envelope glycoprotein gp160 | 著者 | Xiao, T, Frey, G, Fu, Q, Lavine, C.L, Scott, D.A, Seaman, M.S, Chou, J.J, Chen, B. | 登録日 | 2019-11-30 | 公開日 | 2020-04-01 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | HIV-1 fusion inhibitors targeting the membrane-proximal external region of Env spikes. Nat.Chem.Biol., 16, 2020
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4IU4
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![BU of 4iu4 by Molmil](/molmil-images/mine/4iu4) | Crystal structure of Leishmania mexicana arginase in complex with inhibitor BEC | 分子名称: | Arginase, BETA-MERCAPTOETHANOL, GLYCEROL, ... | 著者 | D'Antonio, E.L, Ullman, B, Roberts, S.C, Gaur Dixit, U, Wilson, M.E, Hai, Y, Christianson, D.W. | 登録日 | 2013-01-19 | 公開日 | 2013-01-30 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure of arginase from Leishmania mexicana and implications for the inhibition of polyamine biosynthesis in parasitic infections. Arch.Biochem.Biophys., 535, 2013
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8GJ4
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8GJP
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8GKM
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8GLC
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8GIC
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6VKE
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![BU of 6vke by Molmil](/molmil-images/mine/6vke) | Crystal Structure of Inhibitor JNJ-40012665 in Complex with Prefusion RSV F Glycoprotein | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4-(5-chloro-2-{[1-(3,4-dimethoxyphenyl)-2-oxo-1,2-dihydro-3H-imidazo[4,5-c]pyridin-3-yl]methyl}-1H-indol-1-yl)butanenitrile, CHLORIDE ION, ... | 著者 | McLellan, J.S. | 登録日 | 2020-01-20 | 公開日 | 2020-05-27 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery of 3-({5-Chloro-1-[3-(methylsulfonyl)propyl]-1H-indol-2-yl}methyl)-1-(2,2,2-trifluoroethyl)-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one (JNJ-53718678), a Potent and Orally Bioavailable Fusion Inhibitor of Respiratory Syncytial Virus. J.Med.Chem., 63, 2020
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5F8K
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![BU of 5f8k by Molmil](/molmil-images/mine/5f8k) | Crystal structure of the Bac7(1-16) antimicrobial peptide bound to the Thermus thermophilus 70S ribosome | 分子名称: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | 著者 | Seefeldt, A.C, Graf, M, Perebaskine, N, Nguyen, F, Arenz, S, Mardirossian, M, Scocchi, M, Wilson, D.N, Innis, C.A. | 登録日 | 2015-12-09 | 公開日 | 2016-02-03 | 最終更新日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structure of the mammalian antimicrobial peptide Bac7(1-16) bound within the exit tunnel of a bacterial ribosome. Nucleic Acids Res., 44, 2016
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