7P3B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p3b by Molmil](/molmil-images/mine/7p3b) | Human RNA ligase RTCB in complex with GMP and Co(II) | Descriptor: | ACETATE ION, COBALT (II) ION, FORMIC ACID, ... | Authors: | Kroupova, A, Ackle, F, Jinek, M. | Deposit date: | 2021-07-07 | Release date: | 2021-12-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular architecture of the human tRNA ligase complex. Elife, 10, 2021
|
|
6WC6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wc6 by Molmil](/molmil-images/mine/6wc6) | |
6WVX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wvx by Molmil](/molmil-images/mine/6wvx) | Crystal structure of the first bromodomain of human BRD4 with benzodiazepine inhibitor | Descriptor: | 6'-(4-chlorophenyl)-1'-methyl-8'-(1-methyl-1H-pyrazol-4-yl)spiro[cyclopropane-1,4'-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine], Bromodomain-containing protein 4 | Authors: | Eron, S.J. | Deposit date: | 2020-05-07 | Release date: | 2021-09-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural Characterization of Degrader-Induced Ternary Complexes Using Hydrogen-Deuterium Exchange Mass Spectrometry and Computational Modeling: Implications for Structure-Based Design. Acs Chem.Biol., 16, 2021
|
|
6X7B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6x7b by Molmil](/molmil-images/mine/6x7b) | BRD4 Bromodomain 1 in complex with multi-action inhibitor SRX3212P | Descriptor: | 7-[7-oxo-5-(piperazin-1-yl)-7H-thieno[3,2-b]pyran-3-yl]-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide, Bromodomain-containing protein 4 | Authors: | Vann, K.R, Kutateladze, T.G. | Deposit date: | 2020-05-29 | Release date: | 2020-08-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.951 Å) | Cite: | Design of thienopyranone-based BET inhibitors that bind multiple synthetic lethality targets. Sci Rep, 10, 2020
|
|
6X7C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6x7c by Molmil](/molmil-images/mine/6x7c) | BRD4 Bromodomain 1 in complex with multi-action inhibitor SRX3212 | Descriptor: | 7-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide, Bromodomain-containing protein 4 | Authors: | Vann, K.R, Kutateladze, T.G. | Deposit date: | 2020-05-29 | Release date: | 2020-08-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design of thienopyranone-based BET inhibitors that bind multiple synthetic lethality targets. Sci Rep, 10, 2020
|
|
6XJT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xjt by Molmil](/molmil-images/mine/6xjt) | Crystal Structure of KPT-8602 bound to CRM1 (537-DLTVK-541 to GLCEQ) | Descriptor: | (2R)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-2-(pyrimidin-5-yl)propanamide, Exportin-1, GTP-binding nuclear protein Ran, ... | Authors: | Baumhardt, J.M, Chook, Y.M. | Deposit date: | 2020-06-24 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.406 Å) | Cite: | Recurrent XPO1 mutations alter pathogenesis of chronic lymphocytic leukemia. J Hematol Oncol, 14, 2021
|
|
6XJP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xjp by Molmil](/molmil-images/mine/6xjp) | |
6XKA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xka by Molmil](/molmil-images/mine/6xka) | |
7PC5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pc5 by Molmil](/molmil-images/mine/7pc5) | The third PDZ domain of PDZD7 complexed with the PDZ-binding motif of EXOC4 | Descriptor: | CALCIUM ION, Exocyst complex component 4, GLYCEROL, ... | Authors: | Cousido-Siah, A, Trave, G, Gogl, G. | Deposit date: | 2021-08-03 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A scalable strategy to solve structures of PDZ domains and their complexes. Acta Crystallogr D Struct Biol, 78, 2022
|
|
7PC4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pc4 by Molmil](/molmil-images/mine/7pc4) | The PDZ domain of SNTB1 complexed with the PDZ-binding motif of HTLV1-TAX1 | Descriptor: | 1,2-ETHANEDIOL, Beta-1-syntrophin,Annexin A2, CALCIUM ION, ... | Authors: | Cousido-Siah, A, Trave, G, Gogl, G. | Deposit date: | 2021-08-03 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A scalable strategy to solve structures of PDZ domains and their complexes. Acta Crystallogr D Struct Biol, 78, 2022
|
|
7PC8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pc8 by Molmil](/molmil-images/mine/7pc8) | The PDZ domain of SNTG1 complexed with the phosphomimetic mutant PDZ-binding motif of RSK1 | Descriptor: | CALCIUM ION, GLYCEROL, Gamma-1-syntrophin,Annexin A2, ... | Authors: | Cousido-Siah, A, Trave, G, Gogl, G. | Deposit date: | 2021-08-03 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A scalable strategy to solve structures of PDZ domains and their complexes. Acta Crystallogr D Struct Biol, 78, 2022
|
|
7PCB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pcb by Molmil](/molmil-images/mine/7pcb) | The PDZ domain of SNX27 fused with ANXA2 | Descriptor: | CALCIUM ION, GLYCEROL, Sorting nexin-27,Annexin A2 | Authors: | Cousido-Siah, A, Trave, G, Gogl, G. | Deposit date: | 2021-08-03 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A scalable strategy to solve structures of PDZ domains and their complexes. Acta Crystallogr D Struct Biol, 78, 2022
|
|
7PC7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pc7 by Molmil](/molmil-images/mine/7pc7) | The PDZ domain of SNTG1 complexed with the acetylated PDZ-binding motif of PTEN | Descriptor: | CALCIUM ION, GLYCEROL, Gamma-1-syntrophin,Annexin A2, ... | Authors: | Cousido-Siah, A, Trave, G, Gogl, G. | Deposit date: | 2021-08-03 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A scalable strategy to solve structures of PDZ domains and their complexes. Acta Crystallogr D Struct Biol, 78, 2022
|
|
7P0V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p0v by Molmil](/molmil-images/mine/7p0v) | Crystal structure of human SF3A1 ubiquitin-like domain in complex with U1 snRNA stem-loop 4 | Descriptor: | Isoform 2 of Splicing factor 3A subunit 1, PENTAETHYLENE GLYCOL, RNA (5'-R(P*GP*GP*GP*GP*AP*CP*UP*GP*CP*GP*UP*UP*CP*GP*CP*GP*CP*UP*UP*UP*CP*CP*CP*C)-3'), ... | Authors: | Sabath, K, de Vries, T, Jonas, S. | Deposit date: | 2021-06-30 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Sequence-specific RNA recognition by an RGG motif connects U1 and U2 snRNP for spliceosome assembly. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7PC9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pc9 by Molmil](/molmil-images/mine/7pc9) | The PDZ domain of SYNJ2BP complexed with the PDZ-binding motif of HTLV1-TAX1 | Descriptor: | CALCIUM ION, Protein Tax-1, Synaptojanin-2-binding protein,Annexin A2 | Authors: | Cousido-Siah, A, Trave, G, Gogl, G. | Deposit date: | 2021-08-03 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A scalable strategy to solve structures of PDZ domains and their complexes. Acta Crystallogr D Struct Biol, 78, 2022
|
|
7PC3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pc3 by Molmil](/molmil-images/mine/7pc3) | The second PDZ domain of DLG1 complexed with the PDZ-binding motif of HTLV1-TAX1 | Descriptor: | CALCIUM ION, Disks large homolog 1,Annexin A2, GLYCEROL, ... | Authors: | Cousido-Siah, A, Trave, G, Gogl, G. | Deposit date: | 2021-08-03 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A scalable strategy to solve structures of PDZ domains and their complexes. Acta Crystallogr D Struct Biol, 78, 2022
|
|
7PB8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pb8 by Molmil](/molmil-images/mine/7pb8) | Crystal structure of the CENP-OPQUR complex | Descriptor: | Centromere protein O, Centromere protein P, Centromere protein Q, ... | Authors: | Bellini, D, Yatskevich, S, Muir, K.W, Barford, D. | Deposit date: | 2021-07-31 | Release date: | 2022-04-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.68 Å) | Cite: | Structure of the human inner kinetochore bound to a centromeric CENP-A nucleosome. Science, 376, 2022
|
|
6XEB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xeb by Molmil](/molmil-images/mine/6xeb) | STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH KETONE INHIBITOR (COMPOUND E) | Descriptor: | 5-{(1S)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1H-imidazole-4-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Klein, D.J, Clausen, D. | Deposit date: | 2020-06-12 | Release date: | 2020-08-12 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Development of a selective HDAC inhibitor aimed at reactivating the HIV latent reservoir. Bioorg.Med.Chem.Lett., 30, 2020
|
|
7P4G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p4g by Molmil](/molmil-images/mine/7p4g) | |
5NTW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ntw by Molmil](/molmil-images/mine/5ntw) | |
6XVC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xvc by Molmil](/molmil-images/mine/6xvc) | CRYSTAL STRUCTURE OF BRD4-BD1 WITH COMPOUND 1 | Descriptor: | (4~{R})-4-[(1~{R})-1-[7-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | Authors: | Bader, G, Kessler, D, Wolkerstorfer, B. | Deposit date: | 2020-01-21 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.098 Å) | Cite: | PI by NMR: Probing CH-pi Interactions in Protein-Ligand Complexes by NMR Spectroscopy. Angew.Chem.Int.Ed.Engl., 59, 2020
|
|
6XV7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xv7 by Molmil](/molmil-images/mine/6xv7) | CRYSTAL STRUCTURE OF BRD4-BD1 WITH COMPOUND 2 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-[[3,4-bis(fluoranyl)phenyl]methyl]-~{N},3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine | Authors: | Bader, G, Kessler, D, Wolkerstorfer, B. | Deposit date: | 2020-01-21 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.668 Å) | Cite: | PI by NMR: Probing CH-pi Interactions in Protein-Ligand Complexes by NMR Spectroscopy. Angew.Chem.Int.Ed.Engl., 59, 2020
|
|
6X7D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6x7d by Molmil](/molmil-images/mine/6x7d) | |
5NU1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nu1 by Molmil](/molmil-images/mine/5nu1) | |
6XJR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xjr by Molmil](/molmil-images/mine/6xjr) | |