5NVE
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![BU of 5nve by Molmil](/molmil-images/mine/5nve) | Crystal structure of TNKS2 in complex with 2-(4-ethoxyphenyl)-3,4-dihydroquinazolin-4-one | Descriptor: | 2-(4-ethoxyphenyl)-3~{H}-quinazolin-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Nkizinkiko, Y, Haikarainen, T, Lehtio, L. | Deposit date: | 2017-05-04 | Release date: | 2018-03-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors. Sci Rep, 8, 2018
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4WY1
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![BU of 4wy1 by Molmil](/molmil-images/mine/4wy1) | Crystal structure of human BACE-1 bound to Compound 24B | Descriptor: | (4aR,8aS)-8a-(2,4-difluorophenyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1 | Authors: | Vajdos, F.F, Parris, K. | Deposit date: | 2014-11-14 | Release date: | 2015-03-04 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Discovery of a Series of Efficient, Centrally Efficacious BACE1 Inhibitors through Structure-Based Drug Design. J.Med.Chem., 58, 2015
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5NWB
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![BU of 5nwb by Molmil](/molmil-images/mine/5nwb) | Crystal structure of TNKS2 in complex with 2-{4-[(2-hydroxyethyl)(methyl)amino]phenyl}-3,4-dihydroquinazolin-4-one | Descriptor: | 2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{H}-quinazolin-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Nkizinkiko, Y, Haikarainen, T, Lehtio, L. | Deposit date: | 2017-05-05 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | 2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors. Sci Rep, 8, 2018
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4PKY
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![BU of 4pky by Molmil](/molmil-images/mine/4pky) | ARNT/HIF transcription factor/coactivator complex | Descriptor: | Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1, SULFATE ION, ... | Authors: | Tomchick, D.R, Partch, C.L, Gardner, K.H. | Deposit date: | 2014-05-15 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Coiled-coil Coactivators Play a Structural Role Mediating Interactions in Hypoxia-inducible Factor Heterodimerization. J.Biol.Chem., 290, 2015
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5NW5
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![BU of 5nw5 by Molmil](/molmil-images/mine/5nw5) | Crystal structure of the Rif1 N-terminal domain (RIF1-NTD) from Saccharomyces cerevisiae in complex with DNA | Descriptor: | DNA (30-MER), DNA (60-MER), Telomere length regulator protein RIF1 | Authors: | Bunker, R.D, Reinert, J.K, Shi, T, Thoma, N.H. | Deposit date: | 2017-05-05 | Release date: | 2017-06-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (6.502 Å) | Cite: | Rif1 maintains telomeres and mediates DNA repair by encasing DNA ends. Nat. Struct. Mol. Biol., 24, 2017
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5NXE
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![BU of 5nxe by Molmil](/molmil-images/mine/5nxe) | Crystal structure of TNKS2 in complex with 2-{4-[(2-hydroxyethyl)(methyl)amino]phenyl}-1,2,3,4-tetrahydroquinazolin-4-one | Descriptor: | 2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2,3-dihydro-1~{H}-quinazolin-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Nkizinkiko, Y, Haikarainen, T, Lehtio, L. | Deposit date: | 2017-05-10 | Release date: | 2018-03-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | 2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors. Sci Rep, 8, 2018
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4KBQ
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![BU of 4kbq by Molmil](/molmil-images/mine/4kbq) | Structure of the CHIP-TPR domain in complex with the Hsc70 Lid-Tail domains | Descriptor: | E3 ubiquitin-protein ligase CHIP, Heat shock cognate 71 kDa protein | Authors: | Page, R.C, Amick, J, Nix, J.C, Misra, S. | Deposit date: | 2013-04-23 | Release date: | 2015-01-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | A Bipartite Interaction between Hsp70 and CHIP Regulates Ubiquitination of Chaperoned Client Proteins. Structure, 23, 2015
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5NQV
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![BU of 5nqv by Molmil](/molmil-images/mine/5nqv) | Structure of the Arabidopsis Thaliana TOPLESS N-terminal domain | Descriptor: | EAR motif of IAA27, GLYCEROL, L(+)-TARTARIC ACID, ... | Authors: | Nanao, M.H, Arevalillo, M.R, Vinos-Poyo, T, Parcy, F, Dumas, R. | Deposit date: | 2017-04-21 | Release date: | 2017-07-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of the Arabidopsis TOPLESS corepressor provides insight into the evolution of transcriptional repression. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4ZGL
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![BU of 4zgl by Molmil](/molmil-images/mine/4zgl) | Hit Like Protein | Descriptor: | ADENOSINE MONOPHOSPHATE, Uncharacterized HIT-like protein HP_0404 | Authors: | Tarique, K.F, Devi, S, Abdul Rehman, S.A, Gourinath, S. | Deposit date: | 2015-04-23 | Release date: | 2015-05-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Crystal structure of HINT from Helicobacter pylori. Acta Crystallogr.,Sect.F, 72, 2016
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4X0V
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![BU of 4x0v by Molmil](/molmil-images/mine/4x0v) | Structure of a GH5 family lichenase from Caldicellulosiruptor sp. F32 | Descriptor: | Beta-1,3-1,4-glucanase | Authors: | Meng, D, Liu, X, Wang, X, Li, F, Feng, Y. | Deposit date: | 2014-11-24 | Release date: | 2015-11-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.798 Å) | Cite: | Structural Insights into the Substrate Specificity of a Glycoside Hydrolase Family 5 Lichenase from Caldicellulosiruptor sp. F32 Biochem. J., 2017
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4X1Q
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![BU of 4x1q by Molmil](/molmil-images/mine/4x1q) | The crystal structure of mupain-1 in complex with murinised human uPA at pH7.4 | Descriptor: | Urokinase-type plasminogen activator, mupain-1 | Authors: | Jiang, L, Zhao, B, Xu, P, Andreasen, P, Huang, M. | Deposit date: | 2014-11-25 | Release date: | 2015-03-25 | Last modified: | 2015-11-04 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | A cyclic peptidic serine protease inhibitor: increasing affinity by increasing peptide flexibility. Plos One, 9, 2014
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5N15
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![BU of 5n15 by Molmil](/molmil-images/mine/5n15) | First Bromodomain (BD1) from Candida albicans Bdf1 in the unbound form | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bromodomain-containing factor 1, GLYCEROL, ... | Authors: | Mietton, F, Ferri, E, Champleboux, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvel, M, d'Enfert, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C. | Deposit date: | 2017-02-05 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Selective BET bromodomain inhibition as an antifungal therapeutic strategy. Nat Commun, 8, 2017
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4X1Z
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![BU of 4x1z by Molmil](/molmil-images/mine/4x1z) | Crystal structure of RHDVb P domain in complex with H type 2 | Descriptor: | SODIUM ION, VP1, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose | Authors: | Leuthold, M.M, Hansman, G.S. | Deposit date: | 2014-11-25 | Release date: | 2015-01-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Structural analysis of a rabbit hemorrhagic disease virus binding to histo-blood group antigens. J.Virol., 89, 2015
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4X2Z
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![BU of 4x2z by Molmil](/molmil-images/mine/4x2z) | Structural view and substrate specificity of papain-like protease from Avian Infectious Bronchitis Virus | Descriptor: | Nonstructural protein 3, ZINC ION | Authors: | Kong, L, Shaw, N, Yan, L, Lou, Z, Rao, Z. | Deposit date: | 2014-11-27 | Release date: | 2015-01-28 | Last modified: | 2015-04-01 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural View and Substrate Specificity of Papain-like Protease from Avian Infectious Bronchitis Virus. J.Biol.Chem., 290, 2015
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4X1X
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![BU of 4x1x by Molmil](/molmil-images/mine/4x1x) | |
4X4S
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![BU of 4x4s by Molmil](/molmil-images/mine/4x4s) | |
3TG1
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![BU of 3tg1 by Molmil](/molmil-images/mine/3tg1) | |
4X4O
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![BU of 4x4o by Molmil](/molmil-images/mine/4x4o) | |
6KR8
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![BU of 6kr8 by Molmil](/molmil-images/mine/6kr8) | |
6QMQ
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![BU of 6qmq by Molmil](/molmil-images/mine/6qmq) | NF-YB/C Heterodimer in Complex with NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker | Descriptor: | Nuclear transcription factor Y subunit alpha, Nuclear transcription factor Y subunit beta, Nuclear transcription factor Y subunit gamma, ... | Authors: | Kiehstaller, S, Jeganathan, S, Pearce, N.M, Wendt, M, Grossmann, T.N, Hennig, S. | Deposit date: | 2019-02-08 | Release date: | 2019-10-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Constrained Peptides with Fine-Tuned Flexibility Inhibit NF-Y Transcription Factor Assembly. Angew.Chem.Int.Ed.Engl., 58, 2019
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5NSP
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![BU of 5nsp by Molmil](/molmil-images/mine/5nsp) | Crystal structure of TNKS2 in complex with OD334 | Descriptor: | 1-[4-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]phenyl]-2-oxidanylidene-3~{H}-benzimidazole-5-carbonitrile, BICARBONATE ION, GLYCEROL, ... | Authors: | Nkizinkiko, Y, Haikarainen, T, Lehtio, L. | Deposit date: | 2017-04-26 | Release date: | 2017-11-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of a Novel Series of Tankyrase Inhibitors by a Hybridization Approach. J. Med. Chem., 60, 2017
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5NVF
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![BU of 5nvf by Molmil](/molmil-images/mine/5nvf) | Crystal structure of TNKS2 in complex with 2-[4-(pyridin-2-yl)phenyl]-3,4-dihydroquinazolin-4-one | Descriptor: | 2-(4-pyridin-2-ylphenyl)-3~{H}-quinazolin-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Nkizinkiko, Y, Haikarainen, T, Lehtio, L. | Deposit date: | 2017-05-04 | Release date: | 2018-03-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | 2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors. Sci Rep, 8, 2018
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4X8E
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![BU of 4x8e by Molmil](/molmil-images/mine/4x8e) | Ergothioneine-biosynthetic sulfoxide synthase EgtB in complex with N,N,N-trimethyl-histidine | Descriptor: | CALCIUM ION, CHLORIDE ION, FE (III) ION, ... | Authors: | Vit, A, Goncharenko, K.V, Blankenfeldt, W, Seebeck, F.P. | Deposit date: | 2014-12-10 | Release date: | 2015-01-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of the Sulfoxide Synthase EgtB from the Ergothioneine Biosynthetic Pathway. Angew.Chem.Int.Ed.Engl., 54, 2015
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4ZP5
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![BU of 4zp5 by Molmil](/molmil-images/mine/4zp5) | MAP4K4 in complex with inhibitor | Descriptor: | 4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzamide, Mitogen-activated protein kinase kinase kinase kinase 4 | Authors: | Liu, S. | Deposit date: | 2015-05-07 | Release date: | 2016-10-05 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structure of MAP4K4 complex To Be Published
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5NVR
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![BU of 5nvr by Molmil](/molmil-images/mine/5nvr) | |