8ROY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8roy by Molmil](/molmil-images/mine/8roy) | Structure of the human DDB1-DDA1-DCAF15 E3 ubiquitin ligase bound to compound furan 24 | Descriptor: | 1-[5-[[3,4-bis(chloranyl)-1~{H}-indol-7-yl]sulfamoyl]-3-methyl-furan-2-yl]carbonyl-~{N}-methyl-piperidine-4-carboxamide, DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, ... | Authors: | Shilliday, F, Lucas, S.C.C, Richter, M, Michaelides, I.N, Fusani, L. | Deposit date: | 2024-01-12 | Release date: | 2024-04-03 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Optimization of Potent Ligands for the E3 Ligase DCAF15 and Evaluation of Their Use in Heterobifunctional Degraders. J.Med.Chem., 67, 2024
|
|
5YRO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yro by Molmil](/molmil-images/mine/5yro) | RanL182A in complex with RanBP1-CRM1 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Exportin-1,Exportin-1, ... | Authors: | Sun, Q, Zhang, Y. | Deposit date: | 2017-11-09 | Release date: | 2018-11-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.396 Å) | Cite: | RanL182A in complex with RanBP1-CRM1 To Be Published
|
|
6G0D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g0d by Molmil](/molmil-images/mine/6g0d) | |
6G0F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g0f by Molmil](/molmil-images/mine/6g0f) | BRD4 (BD1) in complex with docking-derived ligand | Descriptor: | (4~{R})-4-(5-bromanyl-2-fluoranyl-phenyl)-5,6,7-trimethoxy-3,4-dihydro-1~{H}-quinolin-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | Authors: | Pretzel, J, Humbeck, L. | Deposit date: | 2018-03-18 | Release date: | 2020-01-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.618 Å) | Cite: | Discovery of an Unexpected Similarity in Ligand Binding Between BRD4 and PPARgamma Chemrxiv, 2019
|
|
5YTB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ytb by Molmil](/molmil-images/mine/5ytb) | RanY197A in complex with RanBP1-CRM1 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Sun, Q, Zhang, Y. | Deposit date: | 2017-11-17 | Release date: | 2018-11-21 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | RanY197A in complex with RanBP1-CRM1 To Be Published
|
|
7K9L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7k9l by Molmil](/molmil-images/mine/7k9l) | Aldolase, rabbit muscle (no beam-tilt refinement) | Descriptor: | Fructose-bisphosphate aldolase A | Authors: | Cianfrocco, M.A, Kearns, S.E, Cash, J.N, Li, Y. | Deposit date: | 2020-09-29 | Release date: | 2020-12-02 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.9 Å) | Cite: | High-resolution cryo-EM using beam-image shift at 200 keV. Iucrj, 7, 2020
|
|
7V2J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7v2j by Molmil](/molmil-images/mine/7v2j) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 33 | Descriptor: | Bromodomain-containing protein 4, ~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-4-methoxy-benzenesulfonamide | Authors: | Zhang, M, Wang, C, Zhang, C, Zhang, Y, Xu, Y. | Deposit date: | 2021-08-09 | Release date: | 2022-08-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Design, synthesis and pharmacological characterization of N-(3-ethylbenzo[d]isoxazol-5-yl) sulfonamide derivatives as BRD4 inhibitors against acute myeloid leukemia. Acta Pharmacol.Sin., 43, 2022
|
|
7UZN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7uzn by Molmil](/molmil-images/mine/7uzn) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BMT-206059 AKA 2-{(3M)-3-(1,4-DIMETHYL-1H-1,2,3-TRIAZOL-5-YL)-8-FLUORO-5-[(S)-(OXAN-4-YL)(PHENYL)METHYL]-5H-PYRIDO[3,2-b]INDOL-7-YL}PROPAN-2-OL, TRIPLY DEUTERATED ON THE 4-METHYL GROUP | Descriptor: | 1,2-ETHANEDIOL, 2-{(3M)-3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol, Bromodomain-containing protein 4, ... | Authors: | Sheriff, S. | Deposit date: | 2022-05-09 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.685 Å) | Cite: | Development of BET Inhibitors as Potential Treatments for Cancer: Optimization of Pharmacokinetic Properties. Acs Med.Chem.Lett., 13, 2022
|
|
7JY5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7jy5 by Molmil](/molmil-images/mine/7jy5) | Structure of human p97 in complex with ATPgammaS and Npl4/Ufd1 (masked around p97) | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase | Authors: | Pan, M, Yu, Y, Liu, L, Zhao, M. | Deposit date: | 2020-08-28 | Release date: | 2021-01-20 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | Seesaw conformations of Npl4 in the human p97 complex and the inhibitory mechanism of a disulfiram derivative. Nat Commun, 12, 2021
|
|
7KBH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kbh by Molmil](/molmil-images/mine/7kbh) | |
6FNX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fnx by Molmil](/molmil-images/mine/6fnx) | FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR F1 | Descriptor: | 1,2-ETHANEDIOL, 7-ethyl-3-(phenylmethyl)purine-2,6-dione, Bromodomain-containing protein 4 | Authors: | Raux, B, Betzi, S. | Deposit date: | 2018-02-05 | Release date: | 2018-06-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Integrated Strategy for Lead Optimization Based on Fragment Growing: The Diversity-Oriented-Target-Focused-Synthesis Approach. J. Med. Chem., 61, 2018
|
|
7KA2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ka2 by Molmil](/molmil-images/mine/7ka2) | Aldolase, rabbit muscle (beam-tilt refinement x2) | Descriptor: | Fructose-bisphosphate aldolase A | Authors: | Kearns, S.K, Cash, J.N, Cianfrocco, M.A, Li, Y. | Deposit date: | 2020-09-29 | Release date: | 2020-12-02 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | High-resolution cryo-EM using beam-image shift at 200 keV. Iucrj, 7, 2020
|
|
8A3D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8a3d by Molmil](/molmil-images/mine/8a3d) | Human mature large subunit of the ribosome with eIF6 and homoharringtonine bound | Descriptor: | (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine, 28S ribosomal RNA, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Faille, A, Warren, A.J, Dent, K.C. | Deposit date: | 2022-06-08 | Release date: | 2023-03-08 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (1.67 Å) | Cite: | The chemical landscape of the human ribosome at 1.67 angstrom resolution. Biorxiv, 2023
|
|
6G0E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g0e by Molmil](/molmil-images/mine/6g0e) | BRD4 (BD1) in complex with APSC-derived ligands | Descriptor: | 4-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-quinolin-2-one, Bromodomain-containing protein 4, FORMIC ACID, ... | Authors: | Pretzel, J, Humbeck, L. | Deposit date: | 2018-03-18 | Release date: | 2020-01-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.613 Å) | Cite: | Discovery of an Unexpected Similarity in Ligand Binding Between BRD4 and PPARgamma Chemrxiv, 2019
|
|
6G0G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g0g by Molmil](/molmil-images/mine/6g0g) | |
6G0O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g0o by Molmil](/molmil-images/mine/6g0o) | Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated ATRX peptide (K1030ac/K1033ac) | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Transcriptional regulator ATRX | Authors: | Filippakopoulos, P, Picaud, S, Newman, J, Sorrell, F, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. | Deposit date: | 2018-03-19 | Release date: | 2018-11-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains. Mol. Cell, 73, 2019
|
|
8Q1S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8q1s by Molmil](/molmil-images/mine/8q1s) | Pathogenic mutations of human phosphorylation sites affect protein-protein interactions | Descriptor: | 1,2-ETHANEDIOL, 14-3-3 protein epsilon, BROMIDE ION, ... | Authors: | Roske, Y, Daumke, O, Rrustemi, T, Selbach, M. | Deposit date: | 2023-08-01 | Release date: | 2024-02-21 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (3.23 Å) | Cite: | Pathogenic mutations of human phosphorylation sites affect protein-protein interactions. Nat Commun, 15, 2024
|
|
6G4W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g4w by Molmil](/molmil-images/mine/6g4w) | Cryo-EM structure of a late human pre-40S ribosomal subunit - State A | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein S11, 40S ribosomal protein S13, ... | Authors: | Ameismeier, M, Cheng, J, Berninghausen, O, Beckmann, R. | Deposit date: | 2018-03-28 | Release date: | 2018-06-06 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Visualizing late states of human 40S ribosomal subunit maturation. Nature, 558, 2018
|
|
5Z5T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5z5t by Molmil](/molmil-images/mine/5z5t) | The first bromodomain of BRD4 with compound BDF-2141 | Descriptor: | 2-amino-4-(1H-imidazol-1-yl)quinolin-8-ol, Bromodomain-containing protein 4 | Authors: | Zhang, H, Luo, C. | Deposit date: | 2018-01-20 | Release date: | 2019-01-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.991 Å) | Cite: | Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma. Oncogenesis, 7, 2018
|
|
5Z5V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5z5v by Molmil](/molmil-images/mine/5z5v) | The first bromodomain of BRD4 with compound BDF-1253 | Descriptor: | Bromodomain-containing protein 4, N-{8-hydroxy-4-[(1H-imidazol-1-yl)methyl]quinolin-2-yl}acetamide | Authors: | Zhang, H, Luo, C. | Deposit date: | 2018-01-20 | Release date: | 2019-01-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma. Oncogenesis, 7, 2018
|
|
6FY4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fy4 by Molmil](/molmil-images/mine/6fy4) | |
5Z90
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5z90 by Molmil](/molmil-images/mine/5z90) | BRD4 Bromodomain 1 with an inhibitor | Descriptor: | 1-ethyl-6-pyrrolidin-1-ylsulfonyl-benzo[cd]indol-2-one, Bromodomain-containing protein 4 | Authors: | Xiao, S, Chen, S, Chen, H. | Deposit date: | 2018-02-01 | Release date: | 2019-02-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | BRD4 Bromodomain 1 with an inhibitor To Be Published
|
|
7KQ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kq1 by Molmil](/molmil-images/mine/7kq1) | PCNA bound to truncated peptide mimetic | Descriptor: | LYS-ARG-ARG-GLN-THR-SER-MET-THR-ASP-PHE-TYR-HIS-SER-LYS-ARG, Proliferating cell nuclear antigen | Authors: | Vandborg, B.A, Bruning, J.B. | Deposit date: | 2020-11-13 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Unlocking the PIP-box: A peptide library reveals interactions that drive high-affinity binding to human PCNA. J.Biol.Chem., 296, 2021
|
|
7KQ0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kq0 by Molmil](/molmil-images/mine/7kq0) | PCNA bound to peptide mimetic | Descriptor: | LYS-ARG-ARG-GLN-THR-SER-MET-THR-ASP-TYR-TYR-HIS-SER-LYS-ARG, Proliferating cell nuclear antigen | Authors: | Vandborg, B.A, Bruning, J.B. | Deposit date: | 2020-11-13 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Unlocking the PIP-box: A peptide library reveals interactions that drive high-affinity binding to human PCNA. J.Biol.Chem., 296, 2021
|
|
7UGF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ugf by Molmil](/molmil-images/mine/7ugf) | First bromodomain of BRD4 liganded with BMS-536924 | Descriptor: | (3M)-4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-1H-benzimidazol-2-yl]pyridin-2(1H)-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | Authors: | Schonbrunn, E, Bikowitz, M. | Deposit date: | 2022-03-24 | Release date: | 2023-04-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural basis of CBP and EP300 interaction with kinase inhibitors To Be Published
|
|