4L3P
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![BU of 4l3p by Molmil](/molmil-images/mine/4l3p) | Crystal Structure of 2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[2,3-c]pyridin-7-amine bound to TAK1-TAB1 | Descriptor: | 2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[2,3-c]pyridin-7-amine, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera | Authors: | Wang, J, Hornberger, K.R, Crew, A.P, Steinbacher, S, Maskos, K, Moertl, M. | Deposit date: | 2013-06-06 | Release date: | 2013-06-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Discovery and optimization of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1. Bioorg.Med.Chem.Lett., 23, 2013
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6JB7
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![BU of 6jb7 by Molmil](/molmil-images/mine/6jb7) | Crystal structure of Ub-conjugated Ube2K C92K&K97A mutant (isopeptide linkage), 2.1 A resolution | Descriptor: | Ubiquitin, Ubiquitin-conjugating enzyme E2 K | Authors: | Lee, J.-G, Youn, H.-S, Lee, Y, An, J.Y, Park, K.R, Kang, J.Y, Mun, S.A, Park, J, Park, T, Jin, M.W, Yang, J, Eom, S.H. | Deposit date: | 2019-01-25 | Release date: | 2019-03-20 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of Ub-conjugated Ube2K C92K&K97A mutant (isopeptide linkage), 2.1 A resolution To Be Published
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5OO6
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![BU of 5oo6 by Molmil](/molmil-images/mine/5oo6) | Complex of human nuclear cap-binding complex with ARS2 C-terminal peptide | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, Nuclear cap-binding protein subunit 1, Nuclear cap-binding protein subunit 2, ... | Authors: | Cusack, S, Schulze, W.M. | Deposit date: | 2017-08-06 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for mutually exclusive co-transcriptional nuclear cap-binding complexes with either NELF-E or ARS2. Nat Commun, 8, 2017
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5AL2
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![BU of 5al2 by Molmil](/molmil-images/mine/5al2) | Crystal structure of TNKS2 in complex with 2-(4-(propan-2-yl)phenyl)- 1H,2H,3H,4H-pyrido(2,3-d)pyrimidin-4-one | Descriptor: | (2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Nkizinkiko, Y, Lehtio, L. | Deposit date: | 2015-03-06 | Release date: | 2015-07-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of Potent and Selective Nonplanar Tankyrase Inhibiting Nicotinamide Mimics. Bioorg.Med.Chem., 23, 2015
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5A5B
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![BU of 5a5b by Molmil](/molmil-images/mine/5a5b) | Structure of the 26S proteasome-Ubp6 complex | Descriptor: | 26S PROTEASE REGULATORY SUBUNIT 4 HOMOLOG, 26S PROTEASE REGULATORY SUBUNIT 6A, 26S PROTEASE REGULATORY SUBUNIT 6B HOMOLOG, ... | Authors: | Aufderheide, A, Beck, F, Stengel, F, Hartwig, M, Schweitzer, A, Pfeifer, G, Goldberg, A.L, Sakata, E, Baumeister, W, Foerster, F. | Deposit date: | 2015-06-17 | Release date: | 2015-07-22 | Last modified: | 2017-08-30 | Method: | ELECTRON MICROSCOPY (9.5 Å) | Cite: | Structural Characterization of the Interaction of Ubp6 with the 26S Proteasome. Proc.Natl.Acad.Sci.USA, 112, 2015
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6S30
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![BU of 6s30 by Molmil](/molmil-images/mine/6s30) | Crystal Structure of Seryl-tRNA Synthetase from Klebsiella pneumoniae | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Serine--tRNA ligase | Authors: | Pang, L, De Graef, S, Weeks, S.D, Strelkov, S.V. | Deposit date: | 2019-06-23 | Release date: | 2020-01-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases. Acs Chem.Biol., 15, 2020
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4PNM
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![BU of 4pnm by Molmil](/molmil-images/mine/4pnm) | Crystal Structure of human Tankyrase 2 in complex with Nu1025. | Descriptor: | 1,2-ETHANEDIOL, 8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-4-ONE, Tankyrase-2, ... | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2014-05-23 | Release date: | 2014-10-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2. Acta Crystallogr.,Sect.D, 70, 2014
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5A4X
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1O83
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![BU of 1o83 by Molmil](/molmil-images/mine/1o83) | Crystal Structure of Bacteriocin AS-48 at pH 7.5, phosphate bound. Crystal form I | Descriptor: | GLYCEROL, PEPTIDE ANTIBIOTIC AS-48, PHOSPHATE ION | Authors: | Sanchez-Barrena, M.J, Martinez-Ripoll, M, Galvez, A, Valdivia, E, Maqueda, M, Cruz, V, Albert, A. | Deposit date: | 2002-11-25 | Release date: | 2003-11-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Structure of Bacteriocin as-48: From Soluble State to Membrane Bound State J.Mol.Biol., 334, 2003
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5A50
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![BU of 5a50 by Molmil](/molmil-images/mine/5a50) | |
3KUT
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![BU of 3kut by Molmil](/molmil-images/mine/3kut) | |
4L0B
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![BU of 4l0b by Molmil](/molmil-images/mine/4l0b) | Tankyrase 2 in complex with 4'-dimethylamino flavone | Descriptor: | 2-[4-(dimethylamino)phenyl]-4H-chromen-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2013-05-31 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
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6YX2
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![BU of 6yx2 by Molmil](/molmil-images/mine/6yx2) | Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid | Descriptor: | 4-[[(~{E})-5-oxidanylidenepentanoyldiazenyl]methyl]benzoic acid, PWW-THR-ARG-LEU, SH3 and multiple ankyrin repeat domains protein 1 | Authors: | Hegedus, Z, Hobor, F, Shoemark, D.K, Celis, S, Lian, L.J, Trinh, C.H, Sessions, R.B, Edwards, T.A, Wilson, A.J. | Deposit date: | 2020-04-30 | Release date: | 2021-01-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Identification of beta-strand mediated protein-protein interaction inhibitors using ligand-directed fragment ligation. Chem Sci, 12, 2021
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4L0V
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![BU of 4l0v by Molmil](/molmil-images/mine/4l0v) | Tankyrase 2 in complex with 4'-chloro flavone | Descriptor: | 2-(4-chlorophenyl)-4H-chromen-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2013-06-01 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
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5AL5
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![BU of 5al5 by Molmil](/molmil-images/mine/5al5) | Crystal structure of TNKS2 in complex with 2-(4-((pyridin-4-yl)methyl) piperazin-1-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one | Descriptor: | 2-(4-((pyridin-4-yl)methyl)piperazin-1-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Nkizinkiko, Y, Lehtio, L. | Deposit date: | 2015-03-06 | Release date: | 2015-07-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of Potent and Selective Nonplanar Tankyrase Inhibiting Nicotinamide Mimics. Bioorg.Med.Chem., 23, 2015
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5MTX
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![BU of 5mtx by Molmil](/molmil-images/mine/5mtx) | Dibenzooxepinone inhibitor 12b in complex with p38 MAPK | Descriptor: | 3-[(3-benzamido-4-fluoranyl-phenyl)amino]-~{N}-(2-morpholin-4-ylethyl)-11-oxidanylidene-6~{H}-benzo[c][1]benzoxepine-9-carboxamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Buehrmann, M, Rauh, D. | Deposit date: | 2017-01-11 | Release date: | 2017-09-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Novel Type I(1)/2 p38 alpha MAP Kinase Inhibitors with Excellent Selectivity, High Potency, and Prolonged Target Residence Time by Interfering with the R-Spine. J. Med. Chem., 60, 2017
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6YX1
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![BU of 6yx1 by Molmil](/molmil-images/mine/6yx1) | Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid | Descriptor: | 2-[[2-(5-oxidanylidenepentanoyl)hydrazinyl]methyl]benzoic acid, ARGININE, LEUCINE, ... | Authors: | Hegedus, Z, Hobor, F, Shoemark, D.K, Celis, S, Lian, L.J, Trinh, C.H, Sessions, R.B, Edwards, T.A, Wilson, A.J. | Deposit date: | 2020-04-30 | Release date: | 2021-01-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification of beta-strand mediated protein-protein interaction inhibitors using ligand-directed fragment ligation. Chem Sci, 12, 2021
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6QYF
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4CT1
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![BU of 4ct1 by Molmil](/molmil-images/mine/4ct1) | Human PDK1-PKCzeta Kinase Chimera in Complex with Allosteric Compound PS315 Bound to the PIF-Pocket | Descriptor: | (2Z)-3-(biphenyl-4-yl)-5-(4-chlorophenyl)pent-2-enoic acid, 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Schulze, J.O, Zhang, H, Lopez-Garcia, L.A, Biondi, R.M. | Deposit date: | 2014-03-11 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Molecular Mechanism of Regulation of the Atypical Protein Kinase C by N-Terminal Domains and an Allosteric Small Compound. Chem.Biol., 21, 2014
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6QMS
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![BU of 6qms by Molmil](/molmil-images/mine/6qms) | NF-YB/C Heterodimer in Complex with NF-YA-derived Peptide Stabilized with C11-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 (1.8 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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2DUD
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4L0Z
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![BU of 4l0z by Molmil](/molmil-images/mine/4l0z) | |
4QGC
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![BU of 4qgc by Molmil](/molmil-images/mine/4qgc) | crystal structure of PKM2-K422R mutant | Descriptor: | GLYCEROL, POTASSIUM ION, Pyruvate kinase PKM, ... | Authors: | Wang, P, Sun, C, Zhu, T, Xu, Y. | Deposit date: | 2014-05-22 | Release date: | 2015-02-25 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.296 Å) | Cite: | Structural insight into mechanisms for dynamic regulation of PKM2. Protein Cell, 6, 2015
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4L39
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![BU of 4l39 by Molmil](/molmil-images/mine/4l39) | Crystal structure of GH3.12 from Arabidopsis thaliana in complex with AMPCPP and salicylate | Descriptor: | 2-HYDROXYBENZOIC ACID, 4-substituted benzoates-glutamate ligase GH3.12, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ... | Authors: | Zubieta, C, Jez, J.M, Brown, E, Marcellin, R, Kapp, U, Round, A, Westfall, C. | Deposit date: | 2013-06-05 | Release date: | 2013-10-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Determination of the GH3.12 protein conformation through HPLC-integrated SAXS measurements combined with X-ray crystallography. Acta Crystallogr.,Sect.D, 69, 2013
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2DO4
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![BU of 2do4 by Molmil](/molmil-images/mine/2do4) | Solution structure of the RNA binding domain of squamous cell carcinoma antigen recognized by T cells 3 | Descriptor: | Squamous cell carcinoma antigen recognized by T-cells 3 | Authors: | Tanabe, W, Suzuki, S, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-04-27 | Release date: | 2007-04-17 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the RNA binding domain of squamous cell carcinoma antigen recognized by T cells 3 To be Published
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