3GFE
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![BU of 3gfe by Molmil](/molmil-images/mine/3gfe) | Crystal Structure of p38a Mitogen-Activated Protein Kinase in Complex with a Pyrazolopyridinone Inhibitor | Descriptor: | Mitogen-activated protein kinase 14, N-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide | Authors: | Mohr, C, Jordan, S. | Deposit date: | 2009-02-26 | Release date: | 2009-07-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Part 1: Structure-Activity Relationship (SAR) investigations of fused pyrazoles as potent, selective and orally available inhibitors of p38alpha mitogen-activated protein kinase. Bioorg.Med.Chem.Lett., 19, 2009
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2WJV
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![BU of 2wjv by Molmil](/molmil-images/mine/2wjv) | Crystal structure of the complex between human nonsense mediated decay factors UPF1 and UPF2 | Descriptor: | REGULATOR OF NONSENSE TRANSCRIPTS 1, REGULATOR OF NONSENSE TRANSCRIPTS 2, SULFATE ION, ... | Authors: | Clerici, M, Mourao, A, Gutsche, I, Gehring, N.H, Hentze, M.W, Kulozik, A, Kadlec, J, Sattler, M, Cusack, S. | Deposit date: | 2009-06-01 | Release date: | 2009-07-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Unusual Bipartite Mode of Interaction between the Nonsense-Mediated Decay Factors, Upf1 and Upf2. Embo J., 28, 2009
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5CTQ
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![BU of 5ctq by Molmil](/molmil-images/mine/5ctq) | |
5W77
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![BU of 5w77 by Molmil](/molmil-images/mine/5w77) | Solution structure of the MYC G-quadruplex bound to small molecule DC-34 | Descriptor: | 4-[(azepan-1-yl)methyl]-5-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide, DNA (5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*A)-3'), POTASSIUM ION | Authors: | Chen, X, Walters, K.J. | Deposit date: | 2017-06-19 | Release date: | 2018-10-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Chemical and structural studies provide a mechanistic basis for recognition of the MYC G-quadruplex. Nat Commun, 9, 2018
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4TKF
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![BU of 4tkf by Molmil](/molmil-images/mine/4tkf) | Crystal Structure of human Tankyrase 2 in complex with IWR-1. | Descriptor: | 3-aminobenzamide, 4-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide, 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: | 2014-05-26 | Release date: | 2014-11-05 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.6 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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4RQV
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![BU of 4rqv by Molmil](/molmil-images/mine/4rqv) | |
4MSK
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![BU of 4msk by Molmil](/molmil-images/mine/4msk) | Co-crystal structure of tankyrase 1 with compound 34 | Descriptor: | 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide, Tankyrase-1, ZINC ION | Authors: | Huang, X. | Deposit date: | 2013-09-18 | Release date: | 2013-12-25 | Last modified: | 2014-02-05 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Development of novel dual binders as potent, selective, and orally bioavailable tankyrase inhibitors. J.Med.Chem., 56, 2013
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4TK0
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![BU of 4tk0 by Molmil](/molmil-images/mine/4tk0) | Crystal Structure of human Tankyrase 2 in complex with DPQ. | Descriptor: | 5-[4-(piperidin-1-yl)butoxy]-3,4-dihydroisoquinolin-1(2H)-one, Tankyrase-2, ZINC ION | 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: | 2014-05-25 | Release date: | 2014-11-05 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.65 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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4RQK
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4TRQ
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![BU of 4trq by Molmil](/molmil-images/mine/4trq) | Crystal structure of Sac3/Thp1/Sem1 | Descriptor: | 26S proteasome complex subunit SEM1, Nuclear mRNA export protein SAC3, Nuclear mRNA export protein THP1, ... | Authors: | Hellerschmied, D, Schneider, S, Kohler, A, Clausen, T. | Deposit date: | 2014-06-17 | Release date: | 2015-08-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The Nuclear Pore-Associated TREX-2 Complex Employs Mediator to Regulate Gene Expression. Cell, 162, 2015
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5DIE
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![BU of 5die by Molmil](/molmil-images/mine/5die) | Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a trifluoro-substituted A-CD ring estrogen derivative (1S,3aR,5S,7aS)-7a-methyl-5-(2,3,5-trifluoro-4-hydroxyphenyl)octahydro-1H-inden-1-ol | Descriptor: | (1S,3aR,5S,7aS)-7a-methyl-5-(2,3,5-trifluoro-4-hydroxyphenyl)octahydro-1H-inden-1-ol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-08-31 | Release date: | 2016-05-04 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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4TSE
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![BU of 4tse by Molmil](/molmil-images/mine/4tse) | |
7WZ3
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![BU of 7wz3 by Molmil](/molmil-images/mine/7wz3) | Cryo-EM structure of human TRiC-tubulin-S1 state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, ... | Authors: | Cong, Y, Liu, C.X. | Deposit date: | 2022-02-16 | Release date: | 2023-02-22 | Last modified: | 2023-07-05 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Pathway and mechanism of tubulin folding mediated by TRiC/CCT along its ATPase cycle revealed using cryo-EM. Commun Biol, 6, 2023
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4ROX
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![BU of 4rox by Molmil](/molmil-images/mine/4rox) | |
5CX3
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![BU of 5cx3 by Molmil](/molmil-images/mine/5cx3) | Crystal structure of FYCO1 LIR in complex with LC3A | Descriptor: | FYVE and coiled-coil domain-containing protein 1, GLYCEROL, Microtubule-associated proteins 1A/1B light chain 3A | Authors: | Cheng, X, Pan, L. | Deposit date: | 2015-07-28 | Release date: | 2016-08-03 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis of FYCO1 and MAP1LC3A interaction reveals a novel binding mode for Atg8-family proteins. Autophagy, 12, 2016
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5ZO9
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![BU of 5zo9 by Molmil](/molmil-images/mine/5zo9) | Eg5 motor domain in complex with STLC-type inhibitor PVEI0021 (C2 type) | Descriptor: | (2R)-2-azanyl-3-[(4-methoxyphenyl)-diphenyl-methyl]sulfanyl-propanoic acid, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ... | Authors: | Yokoyama, H, Sato, K. | Deposit date: | 2018-04-12 | Release date: | 2018-10-10 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural and Thermodynamic Basis of the Enhanced Interaction between Kinesin Spindle Protein Eg5 and STLC-type Inhibitors. Acs Omega, 3, 2018
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2VGE
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![BU of 2vge by Molmil](/molmil-images/mine/2vge) | Crystal structure of the C-terminal region of human iASPP | Descriptor: | RELA-ASSOCIATED INHIBITOR | Authors: | Robinson, R.A, Lu, X, Jones, E.Y, Siebold, C. | Deposit date: | 2007-11-12 | Release date: | 2008-02-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Biochemical and Structural Studies of Aspp Proteins Reveal Differential Binding to P53, P63 and P73 Structure, 16, 2008
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3GGZ
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![BU of 3ggz by Molmil](/molmil-images/mine/3ggz) | |
4PHF
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![BU of 4phf by Molmil](/molmil-images/mine/4phf) | Crystal structure of Ypt7 covalently modified with GDP | Descriptor: | GTP-binding protein YPT7, MAGNESIUM ION, N-[3-(propanoylamino)propyl]guanosine 5'-(trihydrogen diphosphate), ... | Authors: | Vieweg, S, Wiegandt, D, Hofmann, F, Koch, D, Wu, Y, Itzen, A, Mueller, M.P, Goody, R.S. | Deposit date: | 2014-05-06 | Release date: | 2014-05-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Locking GTPases covalently in their functional states. Nat Commun, 6, 2015
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2V8S
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![BU of 2v8s by Molmil](/molmil-images/mine/2v8s) | VTI1B HABC DOMAIN - EPSINR ENTH DOMAIN COMPLEX | Descriptor: | CLATHRIN INTERACTOR 1, GLYCEROL, VESICLE TRANSPORT THROUGH INTERACTION WITH T-SNARES HOMOLOG 1B | Authors: | Owen, D.J, McCoy, A.J, Collins, B.M, Miller, S.E. | Deposit date: | 2007-08-14 | Release date: | 2007-11-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | A Snare-Adaptor Interaction is a New Mode of Cargo Recognition in Clathrin Coated Vesicles Nature, 450, 2007
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5Z2C
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![BU of 5z2c by Molmil](/molmil-images/mine/5z2c) | Crystal structure of ALPK-1 N-terminal domain in complex with ADP-heptose | Descriptor: | Alpha-protein kinase 1, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4S,5S,6R)-6-[(1S)-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate | Authors: | Ding, J, She, Y, Shao, F. | Deposit date: | 2018-01-02 | Release date: | 2018-08-22 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.594 Å) | Cite: | Alpha-kinase 1 is a cytosolic innate immune receptor for bacterial ADP-heptose. Nature, 561, 2018
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2V66
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3GCP
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![BU of 3gcp by Molmil](/molmil-images/mine/3gcp) | Human P38 MAP Kinase in Complex with SB203580 | Descriptor: | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Rauh, D. | Deposit date: | 2009-02-22 | Release date: | 2009-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors. J.Am.Chem.Soc., 131, 2009
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4PNT
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![BU of 4pnt by Molmil](/molmil-images/mine/4pnt) | Crystal Structure of human Tankyrase 2 in complex with 1,5-IQD. | Descriptor: | 5-hydroxyisoquinolin-1(4H)-one, Tankyrase-2, ZINC ION | 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: | 2014-05-25 | Release date: | 2014-10-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 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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4PPS
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![BU of 4pps by Molmil](/molmil-images/mine/4pps) | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with an A-CD ring estrogen derivative | Descriptor: | (1S,3aR,5R,7aS)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Parent, A.A, Hughes, T.S, Pollock, J.A, Gjyshi, O, Cavett, V, Nowak, J, Garcia-Ordonez, R.D, Houtman, R, Griffin, P.R, Kojetin, D.J, Katzenellenbogen, J.A, Conkright, M.D, Nettles, K.W. | Deposit date: | 2014-02-27 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.929 Å) | Cite: | Resveratrol modulates the inflammatory response via an estrogen receptor-signal integration network. Elife, 3, 2014
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