4O18
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![BU of 4o18 by Molmil](/molmil-images/mine/4o18) | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors | 分子名称: | 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | 著者 | Oh, A, Coons, M, Brillantes, B, Wang, W. | 登録日 | 2013-12-15 | 公開日 | 2014-10-22 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors. Plos One, 9, 2014
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4O17
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![BU of 4o17 by Molmil](/molmil-images/mine/4o17) | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors | 分子名称: | 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | 著者 | Oh, A, Coons, M, Brillantes, B, Wang, W. | 登録日 | 2013-12-15 | 公開日 | 2014-10-22 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors. Plos One, 9, 2014
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4O28
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![BU of 4o28 by Molmil](/molmil-images/mine/4o28) | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors | 分子名称: | 1,2-ETHANEDIOL, N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-6-carboxamide, Nicotinamide phosphoribosyltransferase, ... | 著者 | Oh, A, Coons, M, Brillantes, B, Wang, W. | 登録日 | 2013-12-17 | 公開日 | 2014-10-22 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors. Plos One, 9, 2014
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4O1A
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![BU of 4o1a by Molmil](/molmil-images/mine/4o1a) | The crystal structure of the mutant NAMPT G217R | 分子名称: | 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | 著者 | Oh, A, Coons, M, Brillantes, B, Wang, W. | 登録日 | 2013-12-15 | 公開日 | 2014-10-22 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors. Plos One, 9, 2014
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4O1B
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![BU of 4o1b by Molmil](/molmil-images/mine/4o1b) | The crystal structure of a mutant NAMPT (G217R) in complex with an inhibitor APO866 | 分子名称: | (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ... | 著者 | Oh, A, Coons, M, Brillantes, B, Wang, W. | 登録日 | 2013-12-15 | 公開日 | 2014-10-22 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors. Plos One, 9, 2014
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4O1D
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![BU of 4o1d by Molmil](/molmil-images/mine/4o1d) | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors | 分子名称: | (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ... | 著者 | Oh, A, Coons, M, Brillantes, B, Wang, W. | 登録日 | 2013-12-15 | 公開日 | 2014-10-22 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.705 Å) | 主引用文献 | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors. Plos One, 9, 2014
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5YQX
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![BU of 5yqx by Molmil](/molmil-images/mine/5yqx) | Crystal Structure Analysis of the BRD4 | 分子名称: | (2R)-2-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-4H-1,4-benzoxazin-3-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... | 著者 | Xue, X, Zhang, Y, Wang, C, Song, M. | 登録日 | 2017-11-08 | 公開日 | 2018-11-28 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Benzoxazinone-containing 3,5-dimethylisoxazole derivatives as BET bromodomain inhibitors for treatment of castration-resistant prostate cancer. Eur.J.Med.Chem., 152, 2018
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8IHO
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![BU of 8iho by Molmil](/molmil-images/mine/8iho) | Crystal structures of SARS-CoV-2 papain-like protease in complex with covalent inhibitors | 分子名称: | Papain-like protease nsp3, ZINC ION, covalent inhibitor | 著者 | Wang, Q, Hu, H, Li, M, Xu, Y. | 登録日 | 2023-02-23 | 公開日 | 2024-01-03 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Structure-Based Design of Potent Peptidomimetic Inhibitors Covalently Targeting SARS-CoV-2 Papain-like Protease. Int J Mol Sci, 24, 2023
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5J5S
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![BU of 5j5s by Molmil](/molmil-images/mine/5j5s) | Src kinase in complex with a sulfonamide inhibitor | 分子名称: | N-{4-[8-amino-3-(propan-2-yl)imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl}-N'-[3-(trifluoromethyl)phenyl]urea, Proto-oncogene tyrosine-protein kinase Src | 著者 | Lebedev, I, Feldman, H.C, Georghiou, G, Maly, D.J, Seeliger, M. | 登録日 | 2016-04-03 | 公開日 | 2016-06-01 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.153 Å) | 主引用文献 | Structural and Functional Analysis of the Allosteric Modulation of IRE1a with ATP-Competitive Kinase Inhibitors To Be Published
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8TZ0
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![BU of 8tz0 by Molmil](/molmil-images/mine/8tz0) | Structure of a bacterial E1-E2-Ubl complex (form 1) | 分子名称: | E1(BilD), E2(BilB), Ubl(BilA), ... | 著者 | Ye, Q, Chambers, L.R, Corbett, K.D. | 登録日 | 2023-08-26 | 公開日 | 2024-06-12 | 最終更新日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | 主引用文献 | A eukaryotic-like ubiquitination system in bacterial antiviral defence. Nature, 631, 2024
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8TYZ
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![BU of 8tyz by Molmil](/molmil-images/mine/8tyz) | Structure of a bacterial E1-E2-Ubl complex (form 2) | 分子名称: | E1(BilD), E2(BilB), Ubl(BilA), ... | 著者 | Ye, Q, Chambers, L.R, Corbett, K.D. | 登録日 | 2023-08-26 | 公開日 | 2024-06-12 | 最終更新日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | 主引用文献 | A eukaryotic-like ubiquitination system in bacterial antiviral defence. Nature, 631, 2024
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4NM8
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4EZ5
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![BU of 4ez5 by Molmil](/molmil-images/mine/4ez5) | CDK6 (monomeric) in complex with inhibitor | 分子名称: | Cyclin-dependent kinase 6, {5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl}[2-(isoquinolin-4-yl)pyridin-4-yl]methanone | 著者 | Chopra, R, Xu, M. | 登録日 | 2012-05-02 | 公開日 | 2013-02-06 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors. ACS Med Chem Lett, 3, 2012
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4NM4
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5HZD
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![BU of 5hzd by Molmil](/molmil-images/mine/5hzd) | RNA Editing TUTase 1 from Trypanosoma brucei | 分子名称: | 3' terminal uridylyl transferase, CHLORIDE ION, SULFATE ION, ... | 著者 | Thore, S, Rajappa, L.T. | 登録日 | 2016-02-02 | 公開日 | 2016-10-26 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | RNA Editing TUTase 1: structural foundation of substrate recognition, complex interactions and drug targeting. Nucleic Acids Res., 44, 2016
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5I49
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8IMF
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![BU of 8imf by Molmil](/molmil-images/mine/8imf) | |
8IME
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![BU of 8ime by Molmil](/molmil-images/mine/8ime) | Human cGAS catalytic domain bound with baicalin | 分子名称: | 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid, Cyclic GMP-AMP synthase, ZINC ION | 著者 | Zhao, W.F, Xu, Y.C. | 登録日 | 2023-03-06 | 公開日 | 2024-01-03 | 実験手法 | X-RAY DIFFRACTION (2.63 Å) | 主引用文献 | Discovery of novel cGAS inhibitors based on natural flavonoids. Bioorg.Chem., 140, 2023
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8IMG
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![BU of 8img by Molmil](/molmil-images/mine/8img) | Human cGAS catalytic domain bound with C20 | 分子名称: | 2-[2-hydroxy-2-oxoethyl-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoyl]amino]ethanoic acid, Cyclic GMP-AMP synthase, ZINC ION | 著者 | Zhao, W.F, Li, J.M, Xu, Y.C. | 登録日 | 2023-03-06 | 公開日 | 2024-01-03 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of novel cGAS inhibitors based on natural flavonoids. Bioorg.Chem., 140, 2023
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5L21
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5IDO
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5LR0
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![BU of 5lr0 by Molmil](/molmil-images/mine/5lr0) | Binding domain of Botulinum Neurotoxin DC in complex with SialylT | 分子名称: | Botulinum neurotoxin D/C protein, N-acetyl-alpha-neuraminic acid, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose, ... | 著者 | Berntsson, R.P.-A, Stenmark, P. | 登録日 | 2016-08-18 | 公開日 | 2017-08-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | Structural basis for the unique ganglioside and cell membrane recognition mechanism of botulinum neurotoxin DC. Nat Commun, 8, 2017
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5KAL
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![BU of 5kal by Molmil](/molmil-images/mine/5kal) | Terminal uridylyl transferase 4 from Trypanosoma brucei with bound UTP and UpU | 分子名称: | MAGNESIUM ION, RNA (5'-R(*UP*U)-3'), RNA uridylyltransferase 4, ... | 著者 | Stagno, J.R, Luecke, H, Afasizhev, R. | 登録日 | 2016-06-01 | 公開日 | 2016-10-26 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | RNA Editing TUTase 1: structural foundation of substrate recognition, complex interactions and drug targeting. Nucleic Acids Res., 44, 2016
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8IFQ
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![BU of 8ifq by Molmil](/molmil-images/mine/8ifq) | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 2 | 分子名称: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | 著者 | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | 登録日 | 2023-02-19 | 公開日 | 2023-10-18 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir. Nat Commun, 14, 2023
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8IFP
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![BU of 8ifp by Molmil](/molmil-images/mine/8ifp) | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 1 | 分子名称: | (1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | 著者 | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | 登録日 | 2023-02-19 | 公開日 | 2023-10-18 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir. Nat Commun, 14, 2023
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