5NQR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nqr by Molmil](/molmil-images/mine/5nqr) | Potent inhibitors of NUDT5 silence hormone signaling in breast cancer | Descriptor: | 8-(dimethylamino)-1,3-dimethyl-7-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione, ADP-sugar pyrophosphatase | Authors: | Carter, M, Stenmark, P. | Deposit date: | 2017-04-21 | Release date: | 2018-01-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Targeted NUDT5 inhibitors block hormone signaling in breast cancer cells. Nat Commun, 9, 2018
|
|
2W1F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2w1f by Molmil](/molmil-images/mine/2w1f) | Structure determination of Aurora Kinase in complex with inhibitor | Descriptor: | N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]BENZAMIDE, SERINE/THREONINE-PROTEIN KINASE 6 | Authors: | Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G. | Deposit date: | 2008-10-17 | Release date: | 2009-01-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity. J.Med.Chem., 52, 2009
|
|
5NNF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nnf by Molmil](/molmil-images/mine/5nnf) | Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated BAZ1B peptide (K221ac) | Descriptor: | Bromodomain-containing protein 4, FLPH(ALY)YDVKL | Authors: | Filippakopoulos, P, Picaud, S, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. | Deposit date: | 2017-04-08 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains. Mol. Cell, 73, 2019
|
|
6Z7G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z7g by Molmil](/molmil-images/mine/6z7g) | |
6Z7M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z7m by Molmil](/molmil-images/mine/6z7m) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 (3R,4R)-N-cyclohexyl-4-((3-methyl-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl)amino)piperidine-3-carboxamide | Descriptor: | (3R,4R)-N-cyclohexyl-4-((3-methyl-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl)amino)piperidine-3-carboxamide, Bromodomain-containing protein 4 | Authors: | Chung, C. | Deposit date: | 2020-05-31 | Release date: | 2020-07-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | GSK789: A Selective Inhibitor of the First Bromodomains (BD1) of the Bromo and Extra Terminal Domain (BET) Proteins. J.Med.Chem., 63, 2020
|
|
6ZDJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zdj by Molmil](/molmil-images/mine/6zdj) | Structure of the native full-length HIV-1 capsid protein in complex with Cyclophilin A from helical assembly (-13,10) | Descriptor: | Gag protein, Peptidyl-prolyl cis-trans isomerase A | Authors: | Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P. | Deposit date: | 2020-06-14 | Release date: | 2020-08-19 | Last modified: | 2021-02-10 | Method: | ELECTRON MICROSCOPY (5.8 Å) | Cite: | Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A. Nat.Struct.Mol.Biol., 27, 2020
|
|
6ZEL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zel by Molmil](/molmil-images/mine/6zel) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX with compound F5 | Descriptor: | 1,2-ETHANEDIOL, 3,5-dimethyl-4-[(6-methylpyrimidin-4-yl)sulfanylmethyl]-1,2-oxazole, Bromodomain-containing protein 4 | Authors: | Krojer, T, Martinez-Cartro, M, Picaud, S, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Barril, X, von Delft, F. | Deposit date: | 2020-06-16 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX with compound F5 To Be Published
|
|
4LBD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lbd by Molmil](/molmil-images/mine/4lbd) | LIGAND-BINDING DOMAIN OF THE HUMAN RETINOIC ACID RECEPTOR GAMMA BOUND TO THE SYNTHETIC AGONIST BMS961 | Descriptor: | 3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-TETRAMETHYL-5,6,7,8,-TETRAHYDRO-NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID, RETINOIC ACID RECEPTOR GAMMA | Authors: | Klaholz, B.P, Renaud, J.-P, Mitschler, A, Moras, D, Structural Proteomics in Europe (SPINE) | Deposit date: | 1998-02-04 | Release date: | 1999-03-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Conformational adaptation of agonists to the human nuclear receptor RAR gamma. Nat.Struct.Biol., 5, 1998
|
|
7EQ7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7eq7 by Molmil](/molmil-images/mine/7eq7) | |
5MEZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mez by Molmil](/molmil-images/mine/5mez) | Crystal structure of Smad4-MH1 bound to the GGCT site. | Descriptor: | CHLORIDE ION, DNA (5'-D(P*GP*CP*AP*GP*GP*CP*TP*AP*GP*CP*CP*TP*GP*CP*A)-3'), MH1 domain of human Smad4, ... | Authors: | Kaczmarska, Z, Freier, R, Marquez, J.A, Macias, M.J. | Deposit date: | 2016-11-16 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors. Nat Commun, 8, 2017
|
|
6ZED
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zed by Molmil](/molmil-images/mine/6zed) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX with compound F1 | Descriptor: | 1,2-ETHANEDIOL, 4,5-dimethyl-1~{H}-pyrazolo[3,4-c]pyridazin-3-amine, Bromodomain-containing protein 4 | Authors: | Krojer, T, Martinez-Cartro, M, Picaud, S, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Barril, X, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2020-06-16 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX with compound F1 To Be Published
|
|
4LDB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ldb by Molmil](/molmil-images/mine/4ldb) | |
6ZF9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zf9 by Molmil](/molmil-images/mine/6zf9) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX with compound SSR4 | Descriptor: | 1,2-ETHANEDIOL, 3-ethyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole, Bromodomain-containing protein 4 | Authors: | Krojer, T, Martinez-Cartro, M, Picaud, S, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Barril, X, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2020-06-16 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX with compound SSR4 To Be Published
|
|
7EYE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7eye by Molmil](/molmil-images/mine/7eye) | |
7EYQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7eyq by Molmil](/molmil-images/mine/7eyq) | |
7FIC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fic by Molmil](/molmil-images/mine/7fic) | |
6XTX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xtx by Molmil](/molmil-images/mine/6xtx) | CryoEM structure of human CMG bound to ATPgammaS and DNA | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cell division control protein 45 homolog, DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), ... | Authors: | Rzechorzek, N.J, Pellegrini, L. | Deposit date: | 2020-01-16 | Release date: | 2020-05-27 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | CryoEM structures of human CMG-ATP gamma S-DNA and CMG-AND-1 complexes. Nucleic Acids Res., 48, 2020
|
|
5NOV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nov by Molmil](/molmil-images/mine/5nov) | Structure of cyclophilin A in complex with hexahydropyrimidine-2-thione | Descriptor: | 1,3-diazinane-2-thione, Peptidyl-prolyl cis-trans isomerase A | Authors: | Georgiou, C, Mcnae, I.W, Ioannidis, H, Julien, M, Walkinshaw, M.D. | Deposit date: | 2017-04-13 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders. J. Mol. Biol., 429, 2017
|
|
5N7F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5n7f by Molmil](/molmil-images/mine/5n7f) | MAGI-1 complexed with a pRSK1 peptide | Descriptor: | CALCIUM ION, GLYCEROL, Membrane-associated guanylate kinase, ... | Authors: | Gogl, G, Nyitray, L. | Deposit date: | 2017-02-20 | Release date: | 2017-11-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Dynamic control of RSK complexes by phosphoswitch-based regulation. FEBS J., 285, 2018
|
|
2V7Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2v7z by Molmil](/molmil-images/mine/2v7z) | Crystal structure of the 70-kDa heat shock cognate protein from Rattus norvegicus in post-ATP hydrolysis state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, HEAT SHOCK COGNATE 71 KDA PROTEIN, PHOSPHATE ION | Authors: | Chang, Y.-W, Sun, Y.-J, Wang, C, Hsiao, C.-D. | Deposit date: | 2007-08-02 | Release date: | 2008-04-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Crystal Structures of the 70-kDa Heat Shock Proteins in Domain Disjoining Conformation. J.Biol.Chem., 283, 2008
|
|
4N1R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4n1r by Molmil](/molmil-images/mine/4n1r) | |
7F5S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7f5s by Molmil](/molmil-images/mine/7f5s) | human delta-METTL18 60S ribosome | Descriptor: | 28S rRNA, 5.8S rRNA, 5S rRNA, ... | Authors: | Takahashi, M, Kashiwagi, K, Ito, T. | Deposit date: | 2021-06-22 | Release date: | 2022-06-22 | Method: | ELECTRON MICROSCOPY (2.72 Å) | Cite: | METTL18-mediated histidine methylation of RPL3 modulates translation elongation for proteostasis maintenance. Elife, 11, 2022
|
|
6Z6L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z6l by Molmil](/molmil-images/mine/6z6l) | Cryo-EM structure of human CCDC124 bound to 80S ribosomes | Descriptor: | 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ... | Authors: | Wells, J.N, Buschauer, R, Mackens-Kiani, T, Best, K, Kratzat, H, Berninghausen, O, Becker, T, Cheng, J, Beckmann, R. | Deposit date: | 2020-05-28 | Release date: | 2020-07-29 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structure and function of yeast Lso2 and human CCDC124 bound to hibernating ribosomes. Plos Biol., 18, 2020
|
|
4MZ7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mz7 by Molmil](/molmil-images/mine/4mz7) | Structural insight into dGTP-dependent activation of tetrameric SAMHD1 deoxynucleoside triphosphate triphosphohydrolase | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | Authors: | Zhu, C, Gao, W, Zhao, K, Qin, X, Zhang, Y, Peng, X, Zhang, L, Dong, Y, Zhang, W, Li, P, Wei, W, Gong, Y, Yu, X.F. | Deposit date: | 2013-09-29 | Release date: | 2013-11-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insight into dGTP-dependent activation of tetrameric SAMHD1 deoxynucleoside triphosphate triphosphohydrolase Nat Commun, 4, 2013
|
|
2V2T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2v2t by Molmil](/molmil-images/mine/2v2t) | X-ray structure of a NF-kB p50-RelB-DNA complex | Descriptor: | 5'-D(*CP*GP*GP*GP*AP*AP*TP*TP*CP*CP*CP)-3', NUCLEAR FACTOR NF-KAPPA-B P105 SUBUNIT, TRANSCRIPTION FACTOR RELB | Authors: | Moorthy, A.K, Huang, D.B, Wang, V.Y, Vu, D, Ghosh, G. | Deposit date: | 2007-06-07 | Release date: | 2007-07-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | X-Ray Structure of a NF-kappaB p50/Relb/DNA Complex Reveals Assembly of Multiple Dimers on Tandem kappaB Sites. J.Mol.Biol., 373, 2007
|
|