1MS6
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![BU of 1ms6 by Molmil](/molmil-images/mine/1ms6) | Dipeptide Nitrile Inhibitor Bound to Cathepsin S. | 分子名称: | Cathepsin S, MORPHOLINE-4-CARBOXYLIC ACID [1S-(2-BENZYLOXY-1R-CYANO-ETHYLCARBAMOYL)-3-METHYL-BUTYL]AMIDE | 著者 | Ward, Y.D, Thomson, D.S, Frye, L.L, Cywin, C.L, Morwick, T, Emmanuel, M.J, Zindell, R, McNeil, D, Bekkali, Y, Giradot, M, Hrapchak, M, DeTuri, M, Crane, K, White, D, Pav, S, Wang, Y, Hao, M.H, Grygon, C.A, Labadia, M.E, Freeman, D.M, Davidson, W, Hopkins, J.L, Brown, M.L, Spero, D.M. | 登録日 | 2002-09-19 | 公開日 | 2003-04-22 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Design and synthesis of dipeptide nitriles as reversible and potent Cathepsin S inhibitors J.Med.Chem., 45, 2002
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6XF4
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![BU of 6xf4 by Molmil](/molmil-images/mine/6xf4) | Crystal structure of STING REF variant in complex with E7766 | 分子名称: | (1R,3R,15E,28R,29R,30R,31R,34R,36R,39S,41R)-29,41-difluoro-34,39-disulfanyl-2,33,35,38,40,42-hexaoxa-4,6,9,11,13,18,20,22,25,27-decaaza-34,39-diphosphaoctacyclo[28.6.4.1~3,36~.1~28,31~.0~4,8~.0~7,12~.0~19,24~.0~23,27~]dotetraconta-5,7,9,11,15,19,21,23,25-nonaene 34,39-dioxide (non-preferred name), 1,2-ETHANEDIOL, Stimulator of interferon genes protein | 著者 | Chen, Y, Wang, J.Y, Kim, D.-S. | 登録日 | 2020-06-15 | 公開日 | 2021-02-17 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | 主引用文献 | E7766, a Macrocycle-Bridged Stimulator of Interferon Genes (STING) Agonist with Potent Pan-Genotypic Activity. Chemmedchem, 16, 2021
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6XF3
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![BU of 6xf3 by Molmil](/molmil-images/mine/6xf3) | Crystal structure of STING in complex with E7766 | 分子名称: | (1R,3R,15E,28R,29R,30R,31R,34R,36R,39S,41R)-29,41-difluoro-34,39-disulfanyl-2,33,35,38,40,42-hexaoxa-4,6,9,11,13,18,20,22,25,27-decaaza-34,39-diphosphaoctacyclo[28.6.4.1~3,36~.1~28,31~.0~4,8~.0~7,12~.0~19,24~.0~23,27~]dotetraconta-5,7,9,11,15,19,21,23,25-nonaene 34,39-dioxide (non-preferred name), Stimulator of interferon genes protein | 著者 | Chen, Y, Wang, J.Y, Kim, D.-S. | 登録日 | 2020-06-15 | 公開日 | 2021-02-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | E7766, a Macrocycle-Bridged Stimulator of Interferon Genes (STING) Agonist with Potent Pan-Genotypic Activity. Chemmedchem, 16, 2021
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4K60
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![BU of 4k60 by Molmil](/molmil-images/mine/4k60) | Crystal Structure of Human Chymase in Complex with Fragment 6-bromo-1,3-dihydro-2H-indol-2-one | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-bromo-1,3-dihydro-2H-indol-2-one, Chymase, ... | 著者 | Collins, B.K, Padyana, A.K. | 登録日 | 2013-04-15 | 公開日 | 2013-05-29 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies. J.Med.Chem., 56, 2013
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4K69
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![BU of 4k69 by Molmil](/molmil-images/mine/4k69) | Crystal Structure of Human Chymase in Complex with Fragment Linked Benzimidazolone Inhibitor: (3S)-3-{3-[(6-bromo-2-oxo-2,3-dihydro-1H-indol-4-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}hexanoic acid | 分子名称: | (3S)-3-{3-[(6-bromo-2-oxo-2,3-dihydro-1H-indol-4-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}hexanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chymase, ... | 著者 | Collins, B.K, Padyana, A.K. | 登録日 | 2013-04-15 | 公開日 | 2013-05-29 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies. J.Med.Chem., 56, 2013
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4K5Z
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![BU of 4k5z by Molmil](/molmil-images/mine/4k5z) | Crystal Structure of Human Chymase in Complex with Fragment Inhibitor 6-chloro-2,3-dihydro-1H-isoindol-1-one | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-2,3-dihydro-1H-isoindol-1-one, Chymase, ... | 著者 | Collins, B.K, Padyana, A.K. | 登録日 | 2013-04-15 | 公開日 | 2013-05-29 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies. J.Med.Chem., 56, 2013
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4K2Y
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![BU of 4k2y by Molmil](/molmil-images/mine/4k2y) | Crystal Structure of Human Chymase in Complex with Fragment Inhibitor 6-chloro-1,3-dihydro-2H-indol-2-one | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-1,3-dihydro-2H-indol-2-one, Chymase, ... | 著者 | Collins, B.K, Padyana, A.K. | 登録日 | 2013-04-09 | 公開日 | 2013-05-29 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies. J.Med.Chem., 56, 2013
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3S0N
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![BU of 3s0n by Molmil](/molmil-images/mine/3s0n) | Crystal Structure of Human Chymase with Benzimidazolone Inhibitor | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-{3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}butanoic acid, Chymase, ... | 著者 | Qian, K.C, Farrow, N.A, Padyana, A.K. | 登録日 | 2011-05-13 | 公開日 | 2011-07-20 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Benzimidazolone as potent chymase inhibitor: Modulation of reactive metabolite formation in the hydrophobic (P(1)) region. Bioorg.Med.Chem.Lett., 21, 2011
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3CTQ
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![BU of 3ctq by Molmil](/molmil-images/mine/3ctq) | Structure of MAP kinase p38 in complex with a 1-o-tolyl-1,2,3-triazole-4-carboxamide | 分子名称: | Mitogen-activated protein kinase 14, N-benzyl-1-[5-({5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl}carbamoyl)-2-methylphenyl]-1H-1,2,3-triazole-4-carboxamide | 著者 | Qian, K. | 登録日 | 2008-04-14 | 公開日 | 2008-05-27 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structure-based design and subsequent optimization of 2-tolyl-(1,2,3-triazol-1-yl-4-carboxamide) inhibitors of p38 MAP kinase. Bioorg.Med.Chem.Lett., 18, 2008
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5VND
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![BU of 5vnd by Molmil](/molmil-images/mine/5vnd) | Crystal structure of FGFR1-Y563C (FGFR4 surrogate) covalently bound to H3B-6527 | 分子名称: | 1,2-ETHANEDIOL, Fibroblast growth factor receptor 1, N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-5-(4-ethylpiperazin-1-yl)phenyl}propanamide, ... | 著者 | Tsai, J.H.C, Reynolds, D, Fekkes, P, Smith, P, Larsen, N.A. | 登録日 | 2017-04-30 | 公開日 | 2017-05-24 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | H3B-6527 Is a Potent and Selective Inhibitor of FGFR4 in FGF19-Driven Hepatocellular Carcinoma. Cancer Res., 77, 2017
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6CHZ
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![BU of 6chz by Molmil](/molmil-images/mine/6chz) | Estrogen Receptor Alpha Y537S bound to antagonist H3B-9224. | 分子名称: | 1,2-ETHANEDIOL, 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide, Estrogen receptor | 著者 | Larsen, N.A. | 登録日 | 2018-02-23 | 公開日 | 2018-03-21 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Discovery of Selective Estrogen Receptor Covalent Antagonists for the Treatment of ER alphaWTand ER alphaMUTBreast Cancer. Cancer Discov, 8, 2018
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6CHW
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![BU of 6chw by Molmil](/molmil-images/mine/6chw) | Estrogen Receptor Alpha Y537S covalently bound to antagonist H3B-5942. | 分子名称: | 1,2-ETHANEDIOL, 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide, DIMETHYL SULFOXIDE, ... | 著者 | Larsen, N.A. | 登録日 | 2018-02-23 | 公開日 | 2018-03-21 | 最終更新日 | 2020-02-26 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Discovery of Selective Estrogen Receptor Covalent Antagonists for the Treatment of ER alphaWTand ER alphaMUTBreast Cancer. Cancer Discov, 8, 2018
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6WKU
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![BU of 6wku by Molmil](/molmil-images/mine/6wku) | Twelve Chloride Ions Drive Assembly of Human alpha345 Collagen IV NC1 domain | 分子名称: | 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, CHLORIDE ION, ... | 著者 | Boudko, S.P, Hudson, B.G. | 登録日 | 2020-04-17 | 公開日 | 2021-04-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Collagen IV alpha 345 dysfunction in glomerular basement membrane diseases. II. Crystal structure of the alpha 345 hexamer. J.Biol.Chem., 296, 2021
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5WVW
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![BU of 5wvw by Molmil](/molmil-images/mine/5wvw) | The crystal structure of Cren7 mutant L28A in complex with dsDNA | 分子名称: | Chromatin protein Cren7, DNA (5'-D(*GP*TP*GP*AP*TP*CP*AP*C)-3') | 著者 | Zhang, Z.F, Zhao, M.H, Wang, L, Chen, Y.Y, Dong, Y.H, Gong, Y, Huang, L. | 登録日 | 2016-12-29 | 公開日 | 2017-04-26 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Roles of Leu28 side chain intercalation in the interaction between Cren7 and DNA Biochem. J., 474, 2017
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5WWC
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![BU of 5wwc by Molmil](/molmil-images/mine/5wwc) | The crystal structure of Cren7 mutant L28M in complex with dsDNA | 分子名称: | Chromatin protein Cren7, DNA (5'-D(*GP*TP*AP*AP*TP*TP*AP*C)-3') | 著者 | Zhang, Z.F, Zhao, M.H, Wang, L, Chen, Y.Y, Dong, Y.H, Gong, Y, Huang, L. | 登録日 | 2016-12-31 | 公開日 | 2017-04-26 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Roles of Leu28 side chain intercalation in the interaction between Cren7 and DNA Biochem. J., 474, 2017
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5WVY
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![BU of 5wvy by Molmil](/molmil-images/mine/5wvy) | The crystal structure of Cren7 mutant L28V in complex with dsDNA | 分子名称: | Chromatin protein Cren7, DNA (5'-D(*GP*TP*GP*AP*TP*CP*AP*C)-3') | 著者 | Zhang, Z.F, Zhao, M.H, Wang, L, Chen, Y.Y, Dong, Y.H, Gong, Y, Huang, L. | 登録日 | 2016-12-29 | 公開日 | 2017-04-26 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Roles of Leu28 side chain intercalation in the interaction between Cren7 and DNA Biochem. J., 474, 2017
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5WVZ
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![BU of 5wvz by Molmil](/molmil-images/mine/5wvz) | The crystal structure of Cren7 mutant L28F in complex with dsDNA | 分子名称: | Chromatin protein Cren7, DNA (5'-D(*GP*CP*GP*AP*TP*CP*GP*C)-3') | 著者 | Zhang, Z.F, Zhao, M.H, Wang, L, Chen, Y.Y, Dong, Y.H, Gong, Y, Huang, L. | 登録日 | 2016-12-30 | 公開日 | 2017-04-26 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Roles of Leu28 side chain intercalation in the interaction between Cren7 and DNA Biochem. J., 474, 2017
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6A2H
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![BU of 6a2h by Molmil](/molmil-images/mine/6a2h) | Architectural roles of Cren7 in folding crenarchaeal chromatin filament | 分子名称: | Chromatin protein Cren7, DNA (5'-D(P*AP*AP*TP*TP*AP*C)-3'), DNA (5'-D(P*GP*TP*AP*AP*TP*T)-3') | 著者 | Zhang, Z.F, Zhao, M.H, Chen, Y.Y, Wang, L, Dong, Y.H, Gong, Y, Huang, L. | 登録日 | 2018-06-11 | 公開日 | 2019-01-16 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Architectural roles of Cren7 in folding crenarchaeal chromatin filament. Mol. Microbiol., 111, 2019
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6A2I
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![BU of 6a2i by Molmil](/molmil-images/mine/6a2i) | Architectural roles of Cren7 in folding crenarchaeal chromatin filament | 分子名称: | Chromatin protein Cren7, DNA (5'-D(*CP*GP*TP*AP*GP*CP*TP*AP*AP*TP*TP*AP*GP*CP*TP*AP*CP*G)-3') | 著者 | Zhang, Z.F, Zhao, M.H, Chen, Y.Y, Wang, L, Dong, Y.H, Gong, Y, Huang, L. | 登録日 | 2018-06-11 | 公開日 | 2019-01-16 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Architectural roles of Cren7 in folding crenarchaeal chromatin filament. Mol. Microbiol., 111, 2019
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