7PDE
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7PDF
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5HPL
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1BO9
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5XS5
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![BU of 5xs5 by Molmil](/molmil-images/mine/5xs5) | Structure of Coxsackievirus A6 (CVA6) virus procapsid particle | Descriptor: | Genome polyprotein | Authors: | Zheng, Q.B, He, M.Z, Xu, L.F, Yu, H, Cheng, T, Li, S.W. | Deposit date: | 2017-06-12 | Release date: | 2017-09-27 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Atomic structures of Coxsackievirus A6 and its complex with a neutralizing antibody Nat Commun, 8, 2017
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5HJP
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![BU of 5hjp by Molmil](/molmil-images/mine/5hjp) | Identification of LXRbeta selective agonists for the treatment of Alzheimer's Disease | Descriptor: | 2-chloro-4-{1'-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-N,N-dimethylbenzamide, DI(HYDROXYETHYL)ETHER, Oxysterols receptor LXR-beta, ... | Authors: | Parthasarathy, G, Klein, D. | Deposit date: | 2016-01-13 | Release date: | 2016-04-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Identification and in Vivo Evaluation of Liver X Receptor beta-Selective Agonists for the Potential Treatment of Alzheimer's Disease. J.Med.Chem., 59, 2016
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4PZV
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![BU of 4pzv by Molmil](/molmil-images/mine/4pzv) | Crystal structure of Francisella tularensis HPPK-DHPS in complex with bisubstrate analog HPPK inhibitor J1D | Descriptor: | 1,2-ETHANEDIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase/dihydropteroate synthase, 5'-{[2-({N-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]glycyl}amino)ethyl]sulfonyl}-5'-deoxyadenosine | Authors: | Shaw, G.X, Shi, G, Ji, X. | Deposit date: | 2014-03-31 | Release date: | 2014-07-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.704 Å) | Cite: | Structural enzymology and inhibition of the bi-functional folate pathway enzyme HPPK-DHPS from the biowarfare agent Francisella tularensis. Febs J., 281, 2014
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5C94
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![BU of 5c94 by Molmil](/molmil-images/mine/5c94) | Infectious bronchitis virus nsp9 | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Non-structural protein 9 | Authors: | Chen, C, Dou, Y, Yang, H, Su, D. | Deposit date: | 2015-06-26 | Release date: | 2016-06-29 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.438 Å) | Cite: | Structural basis for dimerization and RNA binding of avian infectious bronchitis virus nsp9. Protein Sci., 26, 2017
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5B79
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![BU of 5b79 by Molmil](/molmil-images/mine/5b79) | Crystal structure of DPF2 double PHD finger | Descriptor: | ZINC ION, Zinc finger protein ubi-d4 | Authors: | Li, H, Xiong, X. | Deposit date: | 2016-06-05 | Release date: | 2016-10-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | Selective recognition of histone crotonylation by double PHD fingers of MOZ and DPF2 Nat.Chem.Biol., 12, 2016
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5B75
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5HPS
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7KDO
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![BU of 7kdo by Molmil](/molmil-images/mine/7kdo) | Crystal structure of Escherichia coli HPPK in complex with bisubstrate inhibitor HP-73 | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]-5'-thioadenosine | Authors: | Shaw, G.X, Shi, G, Ji, X. | Deposit date: | 2020-10-09 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Bisubstrate inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: Transition state analogs for high affinity binding. Bioorg.Med.Chem., 29, 2021
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5XS7
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![BU of 5xs7 by Molmil](/molmil-images/mine/5xs7) | Structure of Coxsackievirus A6 (CVA6) virus A-particle in complex with the neutralizing antibody fragment 1D5 | Descriptor: | Genome polyprotein, Heavy chain of Fab 1D5, Light chain of Fab 1D5 | Authors: | Zheng, Q.B, He, M.Z, Xu, L.F, Yu, H, Li, S.W, Cheng, T. | Deposit date: | 2017-06-12 | Release date: | 2017-09-27 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Atomic structures of Coxsackievirus A6 and its complex with a neutralizing antibody Nat Commun, 8, 2017
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3MTS
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![BU of 3mts by Molmil](/molmil-images/mine/3mts) | Chromo Domain of Human Histone-Lysine N-Methyltransferase SUV39H1 | Descriptor: | Histone-lysine N-methyltransferase SUV39H1 | Authors: | Lam, R, Li, Z, Wang, J, Crombet, L, Walker, J.R, Ouyang, H, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2010-04-30 | Release date: | 2010-06-30 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of the Human SUV39H1 Chromodomain and Its Recognition of Histone H3K9me2/3. Plos One, 7, 2012
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7KDR
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![BU of 7kdr by Molmil](/molmil-images/mine/7kdr) | Crystal structure of Escherichia coli HPPK in complex with bisubstrate inhibitor HP-75 | Descriptor: | 1,2-ETHANEDIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-{[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]sulfonyl}-5'-deoxyadenosine, ... | Authors: | Shaw, G.X, Shi, G, Ji, X. | Deposit date: | 2020-10-09 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.488 Å) | Cite: | Bisubstrate inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: Transition state analogs for high affinity binding. Bioorg.Med.Chem., 29, 2021
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5XS4
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![BU of 5xs4 by Molmil](/molmil-images/mine/5xs4) | Structure of Coxsackievirus A6 (CVA6) virus A-particle | Descriptor: | Genome polyprotein | Authors: | Zheng, Q.B, He, M.Z, Xu, L.F, Yu, H, Li, S.W, Cheng, T. | Deposit date: | 2017-06-12 | Release date: | 2017-09-27 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Atomic structures of Coxsackievirus A6 and its complex with a neutralizing antibody Nat Commun, 8, 2017
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3EPM
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![BU of 3epm by Molmil](/molmil-images/mine/3epm) | Crystal structure of Caulobacter crescentus ThiC | Descriptor: | 4-AMINO-5-HYDROXYMETHYL-2-METHYLPYRIMIDINE, SULFATE ION, Thiamine biosynthesis protein thiC, ... | Authors: | Li, S, Chatterjee, A, Zhang, Y, Grove, T.L, Lee, M, Krebs, C, Booker, S.J, Begley, T.P, Ealick, S.E. | Deposit date: | 2008-09-29 | Release date: | 2008-10-28 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.793 Å) | Cite: | Reconstitution of ThiC in thiamine pyrimidine biosynthesis expands the radical SAM superfamily Nat.Chem.Biol., 4, 2008
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3EPN
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![BU of 3epn by Molmil](/molmil-images/mine/3epn) | Crystal structure of Caulobacter crescentus ThiC complexed with imidazole ribonucleotide | Descriptor: | 1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole, Thiamine biosynthesis protein thiC | Authors: | Li, S, Chatterjee, A, Zhang, Y, Grove, T.L, Lee, M, Krebs, C, Booker, S.J, Begley, T.P, Ealick, S.E. | Deposit date: | 2008-09-29 | Release date: | 2008-10-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Reconstitution of ThiC in thiamine pyrimidine biosynthesis expands the radical SAM superfamily Nat.Chem.Biol., 4, 2008
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4HXO
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![BU of 4hxo by Molmil](/molmil-images/mine/4hxo) | Brd4 Bromodomain 1 complex with 3-{[(3-METHYL-1,2-OXAZOL-5-YL)METHYL]SULFANYL}[1,2,4]TRIAZOLO[4,3-A]PYRIDINE inhibitor | Descriptor: | 3-{[(3-methyl-1,2-oxazol-5-yl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine, Bromodomain-containing protein 4 | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | Deposit date: | 2012-11-12 | Release date: | 2013-04-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J.Med.Chem., 56, 2013
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4HXS
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![BU of 4hxs by Molmil](/molmil-images/mine/4hxs) | Brd4 Bromodomain 1 complex with N-[3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)PHENYL]-1-PHENYLMETHANESULFONAMIDE inhibitor | Descriptor: | Bromodomain-containing protein 4, N-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]-1-phenylmethanesulfonamide | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | Deposit date: | 2012-11-12 | Release date: | 2013-04-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J.Med.Chem., 56, 2013
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4HXM
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![BU of 4hxm by Molmil](/molmil-images/mine/4hxm) | Brd4 Bromodomain 1 complex with N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}BUTANAMIDE inhibitor | Descriptor: | Bromodomain-containing protein 4, N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}butanamide | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | Deposit date: | 2012-11-12 | Release date: | 2013-04-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J.Med.Chem., 56, 2013
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6DXL
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![BU of 6dxl by Molmil](/molmil-images/mine/6dxl) | Linked amidobenzimidazole STING agonist | Descriptor: | 1,1'-(butane-1,4-diyl)bis{2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1H-benzimidazole-5-carboxamide}, CALCIUM ION, Stimulator of interferon protein | Authors: | Concha, N.O. | Deposit date: | 2018-06-29 | Release date: | 2018-11-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Design of amidobenzimidazole STING receptor agonists with systemic activity. Nature, 564, 2018
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6DXG
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![BU of 6dxg by Molmil](/molmil-images/mine/6dxg) | amidobenzimidazole (ABZI) STING agonists | Descriptor: | 2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1-[(2R)-2-hydroxy-2-phenylethyl]-1H-benzimidazole-5-carboxamide, CALCIUM ION, Stimulator of interferon protein | Authors: | Concha, N.O. | Deposit date: | 2018-06-28 | Release date: | 2018-11-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.905 Å) | Cite: | Design of amidobenzimidazole STING receptor agonists with systemic activity. Nature, 564, 2018
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6WWB
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![BU of 6wwb by Molmil](/molmil-images/mine/6wwb) | Crystal Structure of the second bromodomain of human BRD2 in complex with the compound 3b | Descriptor: | 1,2-ETHANEDIOL, 2-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-((1-(4-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)acetamido)butyl)-1H-1,2,3-triazol-4-yl)methyl)acetamide, Bromodomain-containing protein 2 | Authors: | White, S.W, Yun, M. | Deposit date: | 2020-05-08 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Phenyl-Glutarimides: Alternative Cereblon Binders for the Design of PROTACs. Angew.Chem.Int.Ed.Engl., 60, 2021
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6XER
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![BU of 6xer by Molmil](/molmil-images/mine/6xer) | Tubulin-RB3_SLD in complex with colchicine | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | White, S.W, Yun, M. | Deposit date: | 2020-06-13 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Stable Colchicine-Binding Site Tubulin Inhibitors 6-Aryl-2-benzoyl-pyridines as Potential Anticancer Agents. J.Med.Chem., 64, 2021
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