5DO2
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![BU of 5do2 by Molmil](/molmil-images/mine/5do2) | Complex structure of MERS-RBD bound with 4C2 antibody | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4C2 heavy chain, 4C2 light chain, ... | 著者 | Li, Y, Wan, Y, Liu, P, Zhao, J, Lu, G, Qi, J, Wang, Q, Lu, X, Wu, Y, Liu, W, Yuen, K.Y, Perlman, S, Gao, G.F, Yan, J. | 登録日 | 2015-09-10 | 公開日 | 2015-10-14 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.409 Å) | 主引用文献 | A humanized neutralizing antibody against MERS-CoV targeting the receptor-binding domain of the spike protein. Cell Res., 25, 2015
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4OJX
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![BU of 4ojx by Molmil](/molmil-images/mine/4ojx) | crystal structure of yeast phosphodiesterase-1 in complex with GMP | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3',5'-cyclic-nucleotide phosphodiesterase 1, GUANOSINE-5'-MONOPHOSPHATE, ... | 著者 | Tian, Y, Cui, W, Huang, M, Robinson, H, Wan, Y, Wang, Y, Ke, H. | 登録日 | 2014-01-21 | 公開日 | 2014-12-03 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | Dual specificity and novel structural folding of yeast phosphodiesterase-1 for hydrolysis of second messengers cyclic adenosine and guanosine 3',5'-monophosphate. Biochemistry, 53, 2014
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4OJV
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![BU of 4ojv by Molmil](/molmil-images/mine/4ojv) | Crystal structure of unliganded yeast PDE1 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3',5'-cyclic-nucleotide phosphodiesterase 1, SULFATE ION, ... | 著者 | Tian, Y, Cui, W, Huang, M, Robinson, H, Wan, Y, Wang, Y, Ke, H. | 登録日 | 2014-01-21 | 公開日 | 2014-12-03 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | Dual specificity and novel structural folding of yeast phosphodiesterase-1 for hydrolysis of second messengers cyclic adenosine and guanosine 3',5'-monophosphate. Biochemistry, 53, 2014
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3V94
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![BU of 3v94 by Molmil](/molmil-images/mine/3v94) | TcrPDEC1 catalytic domain in complex with inhibitor wyq16 | 分子名称: | Cyclic nucleotide specific phosphodiesterase, MAGNESIUM ION, ZINC ION, ... | 著者 | Wang, H, Kunz, S, Chen, G, Seebeck, T, Wan, Y, Robinson, H, Martinelli, S, Ke, H. | 登録日 | 2011-12-23 | 公開日 | 2012-02-22 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | TcrPDEC1 catalytic domain in complex with inhibitor wyq16 To be Published
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3V93
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![BU of 3v93 by Molmil](/molmil-images/mine/3v93) | unliganded structure of TcrPDEC1 catalytic domain | 分子名称: | Cyclic nucleotide specific phosphodiesterase, MAGNESIUM ION, ZINC ION | 著者 | Wang, H, Kunz, S, Chen, G, Seebeck, T, Wan, Y, Robinson, H, Martinelli, S, Ke, H. | 登録日 | 2011-12-23 | 公開日 | 2012-02-22 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Biological and structural characterization of Trypanosoma cruzi phosphodiesterase C and Implications for design of parasite selective inhibitors. J.Biol.Chem., 287, 2012
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6JJ7
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![BU of 6jj7 by Molmil](/molmil-images/mine/6jj7) | Crystal structure of OsHXK6-Glc complex | 分子名称: | Rice hexokinase 6, beta-D-glucopyranose | 著者 | He, C, Wei, P, Chen, J, Wang, H, Wan, Y, Zhou, J, Zhu, Y, Huang, W, Yin, L. | 登録日 | 2019-02-25 | 公開日 | 2019-07-03 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Crystal structure of OsHXK6-Glc complex To Be Published
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6JJ4
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![BU of 6jj4 by Molmil](/molmil-images/mine/6jj4) | Crystal structure of OsHXK6-apo form | 分子名称: | Hexokinase-6 | 著者 | He, C, Wei, P, Chen, J, Wang, H, Wan, Y, Zhou, J, Zhu, Y, Huang, W, Yin, L. | 登録日 | 2019-02-25 | 公開日 | 2019-07-03 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal structure of OsHXK6-apo To Be Published
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6JJ9
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![BU of 6jj9 by Molmil](/molmil-images/mine/6jj9) | Crystal structure of OsHXK6-Glc-ATP-Mg2+ complex | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Hexokinase-6, MAGNESIUM ION, ... | 著者 | He, C, Wei, P, Chen, J, Wang, H, Wan, Y, Zhou, J, Zhu, Y, Huang, W, Yin, L. | 登録日 | 2019-02-25 | 公開日 | 2019-07-03 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Crystal structure of OsHXK6-Glc-ATP-Mg2+ complex To Be Published
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6JJ8
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![BU of 6jj8 by Molmil](/molmil-images/mine/6jj8) | Crystal structure of OsHXK6-ATP-Mg2+ complex | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | 著者 | He, C, Wei, P, Chen, J, Wang, H, Wan, Y, Zhou, J, Zhu, Y, Huang, W, Yin, L. | 登録日 | 2019-02-25 | 公開日 | 2019-07-03 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Crystal structure of OsHXK6-ATP-Mg2+ complex To Be Published
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4JGV
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![BU of 4jgv by Molmil](/molmil-images/mine/4jgv) | Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with THPN | 分子名称: | 1-(3,4,5-trihydroxyphenyl)nonan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | 著者 | Zhang, Q, Li, F, Li, A, Tian, X, Wan, W, Wan, Y, Chen, H, Xing, Y, Wu, Q, Lin, T. | 登録日 | 2013-03-04 | 公開日 | 2013-12-18 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (3.01 Å) | 主引用文献 | Orphan nuclear receptor TR3 acts in autophagic cell death via mitochondrial signaling pathway. Nat.Chem.Biol., 10, 2014
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2VGP
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![BU of 2vgp by Molmil](/molmil-images/mine/2vgp) | Crystal structure of Aurora B kinase in complex with a aminothiazole inhibitor | 分子名称: | 4-[(5-bromo-1,3-thiazol-2-yl)amino]-N-methylbenzamide, INNER CENTROMERE PROTEIN A, SERINE/THREONINE-PROTEIN KINASE 12-A | 著者 | Andersen, C.B, Wan, Y, Chang, J.W, Lee, C, Liu, Y, Sessa, F, Villa, F, Nallan, L, Musacchio, A, Gray, N.S. | 登録日 | 2007-11-15 | 公開日 | 2008-02-26 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Discovery of Selective Aminothiazole Aurora Kinase Inhibitors Acs Chem.Biol., 3, 2008
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6VW1
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![BU of 6vw1 by Molmil](/molmil-images/mine/6vw1) | Structure of SARS-CoV-2 chimeric receptor-binding domain complexed with its receptor human ACE2 | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Shang, J, Ye, G, Shi, K, Wan, Y.S, Aihara, H, Li, F. | 登録日 | 2020-02-18 | 公開日 | 2020-03-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | 主引用文献 | Structural basis of receptor recognition by SARS-CoV-2. Nature, 581, 2020
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1ZLT
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![BU of 1zlt by Molmil](/molmil-images/mine/1zlt) | Crystal Structure of Chk1 Complexed with a Hymenaldisine Analog | 分子名称: | (4Z)-4-(2-AMINO-5-OXO-3,5-DIHYDRO-4H-IMIDAZOL-4-YLIDENE)-2,3-DICHLORO-4,5,6,7-TETRAHYDROPYRROLO[2,3-C]AZEPIN-8(1H)-ONE, SULFATE ION, Serine/threonine-protein kinase Chk1 | 著者 | Lee, C.C, Ng, K, Wan, Y, Gray, N, Spraggon, G. | 登録日 | 2005-05-09 | 公開日 | 2006-06-27 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Crystal Structure of Chk1 Complexed with a Hymenaldisine Analog To be Published
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6JL1
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![BU of 6jl1 by Molmil](/molmil-images/mine/6jl1) | |
6JKZ
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![BU of 6jkz by Molmil](/molmil-images/mine/6jkz) | Crystal structure of VvPlpA from Vibrio vulnificus | 分子名称: | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, CHLORIDE ION, Thermolabile hemolysin | 著者 | Ma, Q, Wan, Y, Liu, C. | 登録日 | 2019-03-03 | 公開日 | 2019-05-15 | 最終更新日 | 2019-08-14 | 実験手法 | X-RAY DIFFRACTION (1.397 Å) | 主引用文献 | Structural analysis of aVibriophospholipase reveals an unusual Ser-His-chloride catalytic triad. J.Biol.Chem., 294, 2019
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6JL2
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![BU of 6jl2 by Molmil](/molmil-images/mine/6jl2) | |
6JL0
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5VOV
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![BU of 5vov by Molmil](/molmil-images/mine/5vov) | Structure of AMPA receptor-TARP complex | 分子名称: | Glutamate receptor 2, Voltage-dependent calcium channel gamma-2 subunit | 著者 | Zhao, Y, Chen, S, Wang, Y.S, Shekhar, M, Tajkhorshid, E, Gouaux, E. | 登録日 | 2017-05-03 | 公開日 | 2017-07-12 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (7.7 Å) | 主引用文献 | Activation and Desensitization Mechanism of AMPA Receptor-TARP Complex by Cryo-EM. Cell, 170, 2017
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5H7O
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![BU of 5h7o by Molmil](/molmil-images/mine/5h7o) | Crystal structure of DJ-101 in complex with tubulin protein | 分子名称: | 2-(1H-indol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-c]pyridine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | 著者 | Arnst, K, Wang, Y, Hwang, D.-J, Xue, Y, Costello, T, Hamilton, D, Chen, Q, Yang, J, Park, F, Dalton, J.T, Miller, D.D, Li, W. | 登録日 | 2016-11-20 | 公開日 | 2017-12-13 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | A Potent, Metabolically Stable Tubulin Inhibitor Targets the Colchicine Binding Site and Overcomes Taxane Resistance. Cancer Res., 78, 2018
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5AGS
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![BU of 5ags by Molmil](/molmil-images/mine/5ags) | Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct 3-(Aminomethyl)-4-bromo-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP | 分子名称: | 3-(AMINOMETHYL)-4-BROMO-7-ETHOXYBENZO[C][1,2]OXABOROL-1(3H)-OL-MODIFIED ADENOSINE, LEUCYL-TRNA SYNTHETASE, METHIONINE | 著者 | Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J. | 登録日 | 2015-02-03 | 公開日 | 2016-03-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase. Antimicrob.Agents Chemother., 60, 2016
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5HOT
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![BU of 5hot by Molmil](/molmil-images/mine/5hot) | Structural Basis for Inhibitor-Induced Aggregation of HIV-1 Integrase | 分子名称: | (2S)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methyl-1-oxo-1,2-dihydroisoquinolin-3-yl]ethanoic acid, Integrase | 著者 | Gupta, K, Turkki, V, Sherrill-Mix, S, Hwang, Y, Eilers, G, Taylor, L, McDanal, C, Wang, P, Temelkoff, D, Nolte, R, Velthuisen, E, Jeffrey, J, Van Duyne, G.D, Bushman, F.D. | 登録日 | 2016-01-19 | 公開日 | 2016-12-14 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (4.4 Å) | 主引用文献 | Structural Basis for Inhibitor-Induced Aggregation of HIV Integrase. PLoS Biol., 14, 2016
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4N9E
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![BU of 4n9e by Molmil](/molmil-images/mine/4n9e) | Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | 分子名称: | 1,2-ETHANEDIOL, 1-[(1-benzoylpiperidin-4-yl)methyl]-N-(pyridin-3-yl)-1H-benzimidazole-5-carboxamide, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ... | 著者 | Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhao, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X. | 登録日 | 2013-10-20 | 公開日 | 2014-02-19 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 24, 2014
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4AUA
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![BU of 4aua by Molmil](/molmil-images/mine/4aua) | Liganded X-ray crystal structure of cyclin dependent kinase 6 (CDK6) | 分子名称: | 1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone, CYCLIN-DEPENDENT KINASE 6 | 著者 | Cho, Y.S, Angove, H, Brain, C, Chen, C.H.T, Cheng, R, Chopra, R, Chung, K, Congreve, M, Dagostin, C, Davis, D, Feltell, R, Giraldes, J, Hiscock, S, Kim, S, Kovats, S, Lagu, B, Lewry, K, Loo, A, Lu, Y, Luzzio, M, Maniara, W, Mcmenamin, R, Mortenson, P, Benning, R, O'Reilly, M, Rees, D, Shen, J, Smith, T, Wang, Y, Williams, G, Woolford, A, Wrona, W, Xu, M, Yang, F, Howard, S. | 登録日 | 2012-05-15 | 公開日 | 2013-02-06 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.31 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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2PL5
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![BU of 2pl5 by Molmil](/molmil-images/mine/2pl5) | Crystal Structure of Homoserine O-acetyltransferase from Leptospira interrogans | 分子名称: | GLYCEROL, Homoserine O-acetyltransferase | 著者 | Liu, L, Wang, M, Wang, Y, Wei, Z, Xu, H, Gong, W. | 登録日 | 2007-04-19 | 公開日 | 2007-11-20 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal structure of homoserine O-acetyltransferase from Leptospira interrogans Biochem.Biophys.Res.Commun., 363, 2007
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4N47
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![BU of 4n47 by Molmil](/molmil-images/mine/4n47) | Structure of Thermus thermophilus Argonaute bound to guide DNA and 12-mer target DNA | 分子名称: | 5'-D(*CP*CP*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3', 5'-D(P*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*TP*AP*TP*AP*GP*T)-3', Argonaute, ... | 著者 | Sheng, G, Zhao, H, Wang, J, Rao, Y, Wang, Y. | 登録日 | 2013-10-08 | 公開日 | 2014-01-15 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.823 Å) | 主引用文献 | Structure-based cleavage mechanism of Thermus thermophilus Argonaute DNA guide strand-mediated DNA target cleavage. Proc.Natl.Acad.Sci.USA, 111, 2014
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