6KI3
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![BU of 6ki3 by Molmil](/molmil-images/mine/6ki3) | The crystal structure of AsfvAP:dF commplex | 分子名称: | DNA (5'-D(*CP*CP*TP*CP*GP*TP*CP*GP*GP*GP*GP*AP*CP*GP*CP*TP*G)-3'), DNA (5'-D(*GP*CP*AP*GP*CP*GP*TP*CP*C)-3'), DNA (5'-D(P*(3DR)P*CP*GP*AP*CP*GP*AP*G)-3'), ... | 著者 | Chen, Y, Gan, J. | 登録日 | 2019-07-17 | 公開日 | 2020-05-27 | 実験手法 | X-RAY DIFFRACTION (2.354 Å) | 主引用文献 | A unique DNA-binding mode of African swine fever virus AP endonuclease. Cell Discov, 6, 2020
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5KZ0
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![BU of 5kz0 by Molmil](/molmil-images/mine/5kz0) | Structure of Human Anaplastic Lymphoma Kinase in Complex With 2-[(1R)-1-{[2-amino-5-(1,3-dimethyl-1H-pyrazol-4-yl)pyridin-3-yl]oxy}ethyl]-4-fluoro-N,N-dimethylbenzamide | 分子名称: | 2-[(1~{R})-1-[2-azanyl-5-(1,3-dimethylpyrazol-4-yl)pyridin-3-yl]oxyethyl]-4-fluoranyl-~{N},~{N}-dimethyl-benzamide, ALK tyrosine kinase receptor | 著者 | McTigue, M, Deng, Y.L, Liu, W, Brooun, A. | 登録日 | 2016-07-22 | 公開日 | 2016-08-17 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery of (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]-benzoxadiazacyclotetradecine-3-carbonitrile (PF-06463922), a macrocyclic inhibitor of anaplastic lymphoma kinase (ALK) and c-ros oncogene 1 (ROS1) with preclinical brain exposure and broad-spectrum potency against ALK-resistant mutations. J. Med. Chem., 57, 2014
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2QKW
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![BU of 2qkw by Molmil](/molmil-images/mine/2qkw) | Structural basis for activation of plant immunity by bacterial effector protein AvrPto | 分子名称: | Avirulence protein, Protein kinase | 著者 | Xing, W.M, Zou, Y, Liu, Q, Hao, Q, Zhou, J.M, Chai, J.J. | 登録日 | 2007-07-11 | 公開日 | 2007-08-21 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | The structural basis for activation of plant immunity by bacterial effector protein AvrPto Nature, 449, 2007
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8HHT
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![BU of 8hht by Molmil](/molmil-images/mine/8hht) | Crystal structure of the SARS-CoV-2 main protease in complex with Hit-1 | 分子名称: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide | 著者 | Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | 登録日 | 2022-11-17 | 公開日 | 2023-03-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants. Signal Transduct Target Ther, 8, 2023
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8HHU
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![BU of 8hhu by Molmil](/molmil-images/mine/8hhu) | Crystal structure of the SARS-CoV-2 main protease in complex with SY110 | 分子名称: | (1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide, 3C-like proteinase nsp5 | 著者 | Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | 登録日 | 2022-11-17 | 公開日 | 2023-03-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.258 Å) | 主引用文献 | A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants. Signal Transduct Target Ther, 8, 2023
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5C8X
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![BU of 5c8x by Molmil](/molmil-images/mine/5c8x) | ZHD-Intermediate complex after ZHD crystal soaking in ZEN for 20min | 分子名称: | (1E,10S)-1-(3,5-dihydroxyphenyl)-10-hydroxyundec-1-en-6-one, GLYCEROL, POTASSIUM ION, ... | 著者 | Hu, X.-J, Qi, Q, Yang, W.-J. | 登録日 | 2015-06-26 | 公開日 | 2016-06-29 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A Case Study of Lactonase ZHD To Be Published
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3IDP
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![BU of 3idp by Molmil](/molmil-images/mine/3idp) | |
5C81
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![BU of 5c81 by Molmil](/molmil-images/mine/5c81) | ZHD-Intermediate complex after ZHD crystal soaking in ZEN for 12min | 分子名称: | (1E,10S)-1-(3,5-dihydroxyphenyl)-10-hydroxyundec-1-en-6-one, FORMIC ACID, GLYCEROL, ... | 著者 | Hu, X.-J, Qi, Q, Yang, W.-J. | 登録日 | 2015-06-25 | 公開日 | 2016-06-29 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A Case Study of Lactonase ZHD To Be Published
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5C7Y
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![BU of 5c7y by Molmil](/molmil-images/mine/5c7y) | ZHD-Intermediate complex after ZHD crystal soaking in ZEN for 9min | 分子名称: | (1E,10S)-1-(3,5-dihydroxyphenyl)-10-hydroxyundec-1-en-6-one, FORMIC ACID, GLYCEROL, ... | 著者 | Hu, X.-J, Qi, Q, Yang, W.-J. | 登録日 | 2015-06-25 | 公開日 | 2016-06-29 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | A Case Study of Lactonase ZHD To Be Published
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3HTX
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![BU of 3htx by Molmil](/molmil-images/mine/3htx) | Crystal structure of small RNA methyltransferase HEN1 | 分子名称: | 5'-R(*GP*AP*UP*UP*UP*CP*UP*CP*UP*CP*UP*GP*CP*AP*AP*GP*CP*GP*AP*AP*AP*G)-3', 5'-R(P*UP*UP*CP*GP*CP*UP*UP*GP*CP*AP*GP*AP*GP*AP*GP*AP*AP*AP*UP*CP*AP*C)-3', HEN1, ... | 著者 | Huang, Y, Ji, L.-J, Huang, Q.-C, Vassylyev, D.G, Chen, X.-M, Ma, J.-B. | 登録日 | 2009-06-12 | 公開日 | 2009-09-29 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Structural insights into mechanisms of the small RNA methyltransferase HEN1. Nature, 461, 2009
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6GL3
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![BU of 6gl3 by Molmil](/molmil-images/mine/6gl3) | Crystal structure of human Phosphatidylinositol 4-kinase III beta (PI4KIIIbeta) in complex with ligand 44 | 分子名称: | (3~{S})-4-(6-azanyl-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)-~{N}-(4-methoxy-2-methyl-phenyl)-3-methyl-piperazine-1-carboxamide, Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta | 著者 | Lammens, A, Augustin, M, Steinbacher, S, Reuberson, J. | 登録日 | 2018-05-22 | 公開日 | 2018-08-15 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | 主引用文献 | Discovery of a Potent, Orally Bioavailable PI4KIII beta Inhibitor (UCB9608) Able To Significantly Prolong Allogeneic Organ Engraftment in Vivo. J. Med. Chem., 61, 2018
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7B2K
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![BU of 7b2k by Molmil](/molmil-images/mine/7b2k) | |
7B4Y
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4PV5
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![BU of 4pv5 by Molmil](/molmil-images/mine/4pv5) | Crystal structure of mouse glyoxalase I in complexed with 18-beta-glycyrrhetinic acid | 分子名称: | (3BETA,5BETA,14BETA)-3-HYDROXY-11-OXOOLEAN-12-EN-29-OIC ACID, Lactoylglutathione lyase, ZINC ION | 著者 | Zhang, H, Zhai, J, Zhang, L.P, Zhao, Y.N, Li, C, Hu, X.P. | 登録日 | 2014-03-15 | 公開日 | 2015-03-18 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural basis for 18-beta-glycyrrhetinic acid as a novel non-GSH analog glyoxalase I inhibitor Acta Pharmacol.Sin., 36, 2015
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1TQF
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![BU of 1tqf by Molmil](/molmil-images/mine/1tqf) | Crystal structure of human Beta secretase complexed with inhibitor | 分子名称: | 3-{2-[(5-AMINOPENTYL)AMINO]-2-OXOETHOXY}-5-({[1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)PHENYL PHENYLMETHANESULFONATE, Beta-secretase 1 | 著者 | Munshi, S, Chen, Z, Kuo, L. | 登録日 | 2004-06-17 | 公開日 | 2004-11-09 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Identification of a small molecule nonpeptide active site beta-secretase inhibitor that displays a nontraditional binding mode for aspartyl proteases. J.Med.Chem., 47, 2004
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6OLU
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![BU of 6olu by Molmil](/molmil-images/mine/6olu) | RIAM RA-PH core structure in the P212121 space group | 分子名称: | Amyloid beta A4 precursor protein-binding family B member 1-interacting protein | 著者 | Wu, J. | 登録日 | 2019-04-17 | 公開日 | 2020-04-22 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Phosphorylation of RIAM by src promotes integrin activation by unmasking the PH domain of RIAM. Structure, 29, 2021
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6O6H
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![BU of 6o6h by Molmil](/molmil-images/mine/6o6h) | RIAM cc-RA-PH structure in the P21212 space group | 分子名称: | Amyloid beta A4 precursor protein-binding family B member 1-interacting protein | 著者 | Wu, J. | 登録日 | 2019-03-06 | 公開日 | 2020-09-02 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Phosphorylation of RIAM by Src Promotes Integrin Activation by Unmasking the PH Domain of RIAM. Structure, 2020
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6K7P
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![BU of 6k7p by Molmil](/molmil-images/mine/6k7p) | Crystal structure of human AFF4-THD domain | 分子名称: | AF4/FMR2 family member 4 | 著者 | Tang, D, Xue, Y, Li, S, Cheng, W, Duan, J, Wang, J, Qi, S. | 登録日 | 2019-06-08 | 公開日 | 2020-03-11 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural and functional insight into the effect of AFF4 dimerization on activation of HIV-1 proviral transcription. Cell Discov, 6, 2020
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5IC1
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![BU of 5ic1 by Molmil](/molmil-images/mine/5ic1) | Structural analysis of a talin triple domain module, E1794Y, E1797Y, Q1801Y mutant | 分子名称: | 1,2-ETHANEDIOL, Talin-1 | 著者 | Wu, J, Chang, Y.-C.E, Zhang, H, Huang, Q.-Q. | 登録日 | 2016-02-22 | 公開日 | 2016-05-18 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural and Functional Analysis of a Talin Triple-Domain Module Suggests an Alternative Talin Autoinhibitory Configuration. Structure, 24, 2016
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3L1F
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![BU of 3l1f by Molmil](/molmil-images/mine/3l1f) | Bovine AlphaA crystallin | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Alpha-crystallin A chain | 著者 | Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D. | 登録日 | 2009-12-11 | 公開日 | 2010-05-12 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Crystal structures of truncated alphaA and alphaB crystallins reveal structural mechanisms of polydispersity important for eye lens function. Protein Sci., 19, 2010
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3L1E
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![BU of 3l1e by Molmil](/molmil-images/mine/3l1e) | Bovine AlphaA crystallin Zinc Bound | 分子名称: | Alpha-crystallin A chain, GLYCEROL, ZINC ION | 著者 | Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D. | 登録日 | 2009-12-11 | 公開日 | 2010-05-12 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Crystal structures of truncated alphaA and alphaB crystallins reveal structural mechanisms of polydispersity important for eye lens function. Protein Sci., 19, 2010
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3L1G
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![BU of 3l1g by Molmil](/molmil-images/mine/3l1g) | Human AlphaB crystallin | 分子名称: | Alpha-crystallin B chain, SULFATE ION | 著者 | Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D. | 登録日 | 2009-12-11 | 公開日 | 2010-05-12 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (3.32 Å) | 主引用文献 | Crystal structures of truncated alphaA and alphaB crystallins reveal structural mechanisms of polydispersity important for eye lens function. Protein Sci., 19, 2010
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7RGG
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![BU of 7rgg by Molmil](/molmil-images/mine/7rgg) | Room temperature serial crystal structure of Glutaminase C in complex with inhibitor BPTES | 分子名称: | Glutaminase kidney isoform, mitochondrial 68 kDa chain, N,N'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide) | 著者 | Milano, S.K, Finke, A, Cerione, R.A. | 登録日 | 2021-07-15 | 公開日 | 2022-05-25 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | New insights into the molecular mechanisms of glutaminase C inhibitors in cancer cells using serial room temperature crystallography. J.Biol.Chem., 298, 2022
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7REN
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![BU of 7ren by Molmil](/molmil-images/mine/7ren) | Room temperature serial crystal structure of Glutaminase C in complex with inhibitor UPGL-00004 | 分子名称: | 2-phenyl-N-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}amino)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide, Glutaminase kidney isoform, mitochondrial | 著者 | Milano, S.K, Finke, A, Cerione, R.A. | 登録日 | 2021-07-13 | 公開日 | 2022-05-25 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | New insights into the molecular mechanisms of glutaminase C inhibitors in cancer cells using serial room temperature crystallography. J.Biol.Chem., 298, 2022
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4CMO
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![BU of 4cmo by Molmil](/molmil-images/mine/4cmo) | Structure of the Human Anaplastic Lymphoma Kinase in Complex with the inhibitor 2-((1R)-1-((3-amino-6-(2-methoxypyridin-3-yl)pyrazin-2-yl) oxy)ethyl)-4-fluoro-N-methylbenzamide | 分子名称: | 2-[(1R)-1-{[3-amino-6-(2-methoxypyridin-3-yl)pyrazin-2-yl]oxy}ethyl]-4-fluoro-N-methylbenzamide, ALK TYROSINE KINASE RECEPTOR | 著者 | McTigue, M.A, Deng, Y.L, Liu, W, Brooun, A, Stewart, A.E. | 登録日 | 2014-01-16 | 公開日 | 2014-05-28 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Discovery of (10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl-15-Oxo-10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo[4,3-H][2,5,11]Benzoxadiazacyclotetradecine-3-Carbonitrile (Pf-06463922), a Macrocyclic Inhibitor of Alk/Ros1 with Pre-Clinical Brain Exposure and Broad Spectrum Potency Against Alk-Resistant Mutations. J.Med.Chem., 57, 2014
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