4DG3
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3ODK
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![BU of 3odk by Molmil](/molmil-images/mine/3odk) | Discovery of cell-active phenyl-imidazole Pin1 inhibitors by structure-guided fragment evolution | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3-pyridin-2-yl-1H-pyrazole-5-carboxylic acid, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Potter, A, Oldfield, V, Nunns, C, Fromont, C, Ray, S, Northfield, C.J, Bryant, C.J, Scrace, S.F, Robinson, D, Matossova, N, Baker, L, Dokurno, P, Surgenor, A.E, Davis, B.E, Richardson, C.M, Murray, J.B, Moore, J.D. | Deposit date: | 2010-08-11 | Release date: | 2010-10-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of cell-active phenyl-imidazole Pin1 inhibitors by structure-guided fragment evolution. Bioorg.Med.Chem.Lett., 20, 2010
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5VPB
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![BU of 5vpb by Molmil](/molmil-images/mine/5vpb) | Transcription factor FosB/JunD bZIP domain in its oxidized form, type-I crystal | Descriptor: | CHLORIDE ION, Protein fosB, Transcription factor jun-D | Authors: | Yin, Z, Machius, M, Rudenko, G. | Deposit date: | 2017-05-04 | Release date: | 2017-09-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.691 Å) | Cite: | Activator Protein-1: redox switch controlling structure and DNA-binding. Nucleic Acids Res., 45, 2017
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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) | Descriptor: | 1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone, CYCLIN-DEPENDENT KINASE 6 | Authors: | 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. | Deposit date: | 2012-05-15 | Release date: | 2013-02-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | 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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2QXF
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5VJX
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![BU of 5vjx by Molmil](/molmil-images/mine/5vjx) | Crystal structure of the CLOCK Transcription Domain Exon19 in Complex with a Repressor | Descriptor: | CLOCK-interacting pacemaker, Circadian locomoter output cycles protein kaput | Authors: | Hou, Z, Su, L, Pei, J, Grishin, N.V, Zhang, H. | Deposit date: | 2017-04-20 | Release date: | 2017-12-06 | Last modified: | 2020-01-29 | Method: | X-RAY DIFFRACTION (2.695 Å) | Cite: | Crystal Structure of the CLOCK Transactivation Domain Exon19 in Complex with a Repressor. Structure, 25, 2017
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5VI6
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![BU of 5vi6 by Molmil](/molmil-images/mine/5vi6) | Crystal structure of histone deacetylase 8 in complex with trapoxin A | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, Histone deacetylase 8, ... | Authors: | Porter, N.J, Christianson, D.W. | Deposit date: | 2017-04-14 | Release date: | 2017-09-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.237 Å) | Cite: | Binding of the Microbial Cyclic Tetrapeptide Trapoxin A to the Class I Histone Deacetylase HDAC8. ACS Chem. Biol., 12, 2017
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5VPD
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![BU of 5vpd by Molmil](/molmil-images/mine/5vpd) | Transcription factor FosB/JunD bZIP domain in its oxidized form, type-III crystal | Descriptor: | CHLORIDE ION, Protein fosB, SODIUM ION, ... | Authors: | Yin, Z, Machius, M, Rudenko, G. | Deposit date: | 2017-05-04 | Release date: | 2017-09-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Activator Protein-1: redox switch controlling structure and DNA-binding. Nucleic Acids Res., 45, 2017
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5VQF
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![BU of 5vqf by Molmil](/molmil-images/mine/5vqf) | Crystal Structure of pro-TGF-beta 1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Transforming growth factor beta-1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Zhao, B, Xu, S, Dong, X, Lu, C, Springer, T.A. | Deposit date: | 2017-05-08 | Release date: | 2017-11-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Prodomain-growth factor swapping in the structure of pro-TGF-beta 1. J. Biol. Chem., 293, 2018
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5VJI
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![BU of 5vji by Molmil](/molmil-images/mine/5vji) | Crystal structure of the CLOCK Transcription Domain Exon19 in Complex with a Repressor | Descriptor: | CLOCK-interacting pacemaker, Circadian locomoter output cycles protein kaput | Authors: | Hou, Z, Su, L, Pei, J, Grishin, N.V, Zhang, H. | Deposit date: | 2017-04-19 | Release date: | 2017-06-07 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Crystal Structure of the CLOCK Transactivation Domain Exon19 in Complex with a Repressor. Structure, 25, 2017
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3OJ4
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5VPA
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![BU of 5vpa by Molmil](/molmil-images/mine/5vpa) | Transcription factor FosB/JunD bZIP domain | Descriptor: | CHLORIDE ION, Protein fosB, SODIUM ION, ... | Authors: | Yin, Z, Machius, M, Rudenko, G. | Deposit date: | 2017-05-04 | Release date: | 2017-09-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Activator Protein-1: redox switch controlling structure and DNA-binding. Nucleic Acids Res., 45, 2017
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5VPF
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![BU of 5vpf by Molmil](/molmil-images/mine/5vpf) | Transcription factor FosB/JunD bZIP domain in complex with cognate DNA, type-II crystal | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*CP*GP*TP*CP*GP*GP*TP*GP*AP*CP*TP*CP*AP*CP*CP*GP*AP*CP*G)-3'), ... | Authors: | Yin, Z, Rudenko, G, Machius, M. | Deposit date: | 2017-05-04 | Release date: | 2017-09-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.694 Å) | Cite: | Activator Protein-1: redox switch controlling structure and DNA-binding. Nucleic Acids Res., 45, 2017
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3OOB
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![BU of 3oob by Molmil](/molmil-images/mine/3oob) | Structural and functional insights of directly targeting Pin1 by Epigallocatechin-3-gallate | Descriptor: | (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... | Authors: | Urusova, D.V, Shim, J.-H, Kim, D.-J, Jung, S.K, Zykova, T.A, Bode, A.M, Dong, Z. | Deposit date: | 2010-08-30 | Release date: | 2011-08-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Epigallocatechin-gallate suppresses tumorigenesis by directly targeting Pin1. Cancer Prev Res (Phila), 4, 2011
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6ACA
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![BU of 6aca by Molmil](/molmil-images/mine/6aca) | Crystal structure of Mycobacterium tuberculosis Mfd at 3.6 A resolution | Descriptor: | Mycobacterium tuberculosis Mfd | Authors: | Putta, S, Fox, G.C, Walsh, M.A, Rao, D.N, Nagaraja, V, Natesh, R. | Deposit date: | 2018-07-26 | Release date: | 2019-08-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structural basis for nucleotide-mediated remodelling mechanism of Mycobacterium Mfd To Be Published
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5VZT
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![BU of 5vzt by Molmil](/molmil-images/mine/5vzt) | Crystal structure of the Skp1-FBXO31 complex | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, F-box only protein 31, PHOSPHATE ION, ... | Authors: | Li, Y, Jin, K, Hao, B. | Deposit date: | 2017-05-29 | Release date: | 2018-01-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis of the phosphorylation-independent recognition of cyclin D1 by the SCFFBXO31 ubiquitin ligase. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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3P1P
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![BU of 3p1p by Molmil](/molmil-images/mine/3p1p) | Crystal structure of human 14-3-3 sigma C38N/N166H in complex with TASK-3 peptide | Descriptor: | 14-3-3 protein sigma, 6-mer peptide from Potassium channel subfamily K member 9, CHLORIDE ION, ... | Authors: | Anders, C, Higuchi, Y, Schumacher, B, Thiel, P, Kato, N, Ottmann, C. | Deposit date: | 2010-09-30 | Release date: | 2011-10-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface Chem. Biol., 20, 2013
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3P1Q
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![BU of 3p1q by Molmil](/molmil-images/mine/3p1q) | Crystal structure of human 14-3-3 sigma C38N/N166H in complex with TASK-3 Peptide and stabilizer fusicoccin A | Descriptor: | 14-3-3 protein sigma, 6-mer peptide from Potassium channel subfamily K member 9, CALCIUM ION, ... | Authors: | Anders, C, Higuchi, Y, Schumacher, B, Thiel, P, Kato, N, Ottmann, C. | Deposit date: | 2010-09-30 | Release date: | 2011-10-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface Chem. Biol., 20, 2013
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3P1O
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![BU of 3p1o by Molmil](/molmil-images/mine/3p1o) | Crystal structure of human 14-3-3 sigma in complex with TASK-3 peptide and stabilisator Fusicoccin A | Descriptor: | 14-3-3 protein sigma, 6-mer peptide from Potassium channel subfamily K member 9, CALCIUM ION, ... | Authors: | Anders, C, Higuchi, Y, Schumacher, B, Thiel, P, Kato, N, Ottmann, C. | Deposit date: | 2010-09-30 | Release date: | 2011-10-12 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface Chem. Biol., 20, 2013
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3LFQ
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![BU of 3lfq by Molmil](/molmil-images/mine/3lfq) | Crystal structure of CDK2 with SAR60, an aminoindazole type inhibitor | Descriptor: | Cell division protein kinase 2, N-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)butanamide | Authors: | Dreyer, M.K, Wendt, K.U, Schimanski-Breves, S, Loenze, P. | Deposit date: | 2010-01-18 | Release date: | 2010-03-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Rational design of potent GSK3beta inhibitors with selectivity for Cdk1 and Cdk2. Bioorg.Med.Chem.Lett., 20, 2010
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2QCS
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![BU of 2qcs by Molmil](/molmil-images/mine/2qcs) | A complex structure between the Catalytic and Regulatory subunit of Protein Kinase A that represents the inhibited state | Descriptor: | ACETATE ION, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Kim, C, Cheng, C.Y, Saldanha, A.S, Taylor, S.S. | Deposit date: | 2007-06-19 | Release date: | 2007-11-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | PKA-I holoenzyme structure reveals a mechanism for cAMP-dependent activation. Cell(Cambridge,Mass.), 130, 2007
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3PFQ
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![BU of 3pfq by Molmil](/molmil-images/mine/3pfq) | Crystal Structure and Allosteric Activation of Protein Kinase C beta II | Descriptor: | CALCIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Protein kinase C beta type, ... | Authors: | Leonard, T.A, Rozycki, B, Saidi, L.F, Hummer, G, Hurley, J.H. | Deposit date: | 2010-10-28 | Release date: | 2011-02-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Crystal Structure and Allosteric Activation of Protein Kinase C beta II Cell(Cambridge,Mass.), 144, 2011
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2QUR
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![BU of 2qur by Molmil](/molmil-images/mine/2qur) | Crystal Structure of F327A/K285P Mutant of cAMP-dependent Protein Kinase | Descriptor: | 20-mer fragment from cAMP-dependent protein kinase inhibitor alpha, ADENOSINE-5'-DIPHOSPHATE, cAMP-dependent protein kinase, ... | Authors: | Taylor, S.S, Yang, J, Wu, J. | Deposit date: | 2007-08-06 | Release date: | 2008-07-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Contribution of non-catalytic core residues to activity and regulation in protein kinase A. J.Biol.Chem., 284, 2009
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1HNE
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![BU of 1hne by Molmil](/molmil-images/mine/1hne) | Structure of human neutrophil elastase in complex with a peptide chloromethyl ketone inhibitor at 1.84-angstroms resolution | Descriptor: | HUMAN LEUCOCYTE ELASTASE, METHOXYSUCCINYL-ALA-ALA-PRO-ALA CHLOROMETHYL KETONE INHIBITOR | Authors: | Navia, M.A, Mckeever, B.M, Springer, J.P, Lin, T.-Y, Williams, H.R, Fluder, E.M, Dorn, C.P, Hoogsteen, K. | Deposit date: | 1989-04-10 | Release date: | 1989-10-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structure of human neutrophil elastase in complex with a peptide chloromethyl ketone inhibitor at 1.84-A resolution. Proc.Natl.Acad.Sci.USA, 86, 1989
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1IMJ
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![BU of 1imj by Molmil](/molmil-images/mine/1imj) | |