7XHE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xhe by Molmil](/molmil-images/mine/7xhe) | Crystal structure of CBP bromodomain liganded with CCS151 | Descriptor: | (6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]-1-(3-fluoranyl-4-methoxy-phenyl)piperidin-2-one, 1,2-ETHANEDIOL, CREB-binding protein | Authors: | Xu, H, Xiang, Q, Wang, C, Zhang, C, Luo, G, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-04-08 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Structural insights revealed by the cocrystal structure of CCS1477 in complex with CBP bromodomain Biochem.Biophys.Res.Commun., 623, 2022
|
|
7XH6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xh6 by Molmil](/molmil-images/mine/7xh6) | Crystal structure of CBP bromodomain liganded with CCS1477 | Descriptor: | (6S)-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one, CREB-binding protein, DIMETHYL SULFOXIDE, ... | Authors: | Xu, H, Xiang, Q, Wang, C, Zhang, C, Luo, G, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-04-07 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural insights revealed by the cocrystal structure of CCS1477 in complex with CBP bromodomain Biochem.Biophys.Res.Commun., 623, 2022
|
|
7XI0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xi0 by Molmil](/molmil-images/mine/7xi0) | Crystal structure of CBP bromodomain liganded with CCS150 | Descriptor: | (6S)-1-(3-chloranyl-4-methoxy-phenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]piperidin-2-one, CREB-binding protein, GLYCEROL | Authors: | Xu, H, Xiang, Q, Wang, C, Zhang, C, Luo, G, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-04-11 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structural insights revealed by the cocrystal structure of CCS1477 in complex with CBP bromodomain Biochem.Biophys.Res.Commun., 623, 2022
|
|
7VYQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vyq by Molmil](/molmil-images/mine/7vyq) | Short chain dehydrogenase (SCR) cryoEM structure with NADP and ethyl 4-chloroacetoacetate | Descriptor: | Carbonyl Reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ethyl 4-chloranyl-3-oxidanylidene-butanoate | Authors: | Li, Y.H, Zhang, R.Z, Wang, C, Forouhar, F, Clarke, O, Vorobiev, S, Singh, S, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F. | Deposit date: | 2021-11-15 | Release date: | 2022-04-06 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.13 Å) | Cite: | Oligomeric interactions maintain active-site structure in a noncooperative enzyme family. Embo J., 41, 2022
|
|
7XNG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xng by Molmil](/molmil-images/mine/7xng) | Crystal structure of CBP bromodomain liganded with Y08092(31g) | Descriptor: | 3-[(1-ethanoylindol-3-yl)carbonylamino]-5-[[(2S)-oxan-2-yl]oxymethyl]benzoic acid, CREB-binding protein, DI(HYDROXYETHYL)ETHER, ... | Authors: | Xiang, Q, Zhang, Y, Wang, C, Song, M, Xu, Y. | Deposit date: | 2022-04-28 | Release date: | 2022-06-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structure of CBP bromodomain liganded with Y08092(31g) To Be Published
|
|
7XM7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xm7 by Molmil](/molmil-images/mine/7xm7) | Crystal Structure of the CBP in complex with the Y08188 | Descriptor: | 1,2-ETHANEDIOL, 3-ethanoyl-~{N}-[2-fluoranyl-3-(1-methylpyrazol-4-yl)phenyl]-7-methoxy-indolizine-1-carboxamide, CREB-binding protein, ... | Authors: | Xiang, Q, Zhang, Y, Wang, C, Song, M, Xu, Y. | Deposit date: | 2022-04-25 | Release date: | 2022-06-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Discovery and optimization of 1-(1H-indol-1-yl)ethanone derivatives as potent and selective CBP bromodomain inhibitors To Be Published
|
|
7XCE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xce by Molmil](/molmil-images/mine/7xce) | Crystal structure of Ankyrin G in complex with neurofascin | Descriptor: | GLYCEROL, Neurofascin,Ankyrin-3, SULFATE ION | Authors: | He, L, Li, J, Wang, C. | Deposit date: | 2022-03-24 | Release date: | 2022-09-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of Ankyrin-G in complex with a fragment of Neurofascin reveals binding mechanisms required for integrity of the axon initial segment. J.Biol.Chem., 298, 2022
|
|
6A7Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6a7y by Molmil](/molmil-images/mine/6a7y) | Solution structure of an intermolecular leaped V-shape G-quadruplex | Descriptor: | DNA (5'-D(*GP*GP*TP*TP*TP*TP*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3'), DNA (5'-D(*TP*GP*GP*GP*GP*A)-3') | Authors: | Wan, C.J, Zhang, N. | Deposit date: | 2018-07-05 | Release date: | 2018-12-12 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR solution structure of an asymmetric intermolecular leaped V-shape G-quadruplex: selective recognition of the d(G2NG3NG4) sequence motif by a short linear G-rich DNA probe. Nucleic Acids Res., 47, 2019
|
|
7YCV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ycv by Molmil](/molmil-images/mine/7ycv) | |
7YCU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ycu by Molmil](/molmil-images/mine/7ycu) | |
7YCW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ycw by Molmil](/molmil-images/mine/7ycw) | |
7YCS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ycs by Molmil](/molmil-images/mine/7ycs) | |
6DJ4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dj4 by Molmil](/molmil-images/mine/6dj4) | |
7Y4T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7y4t by Molmil](/molmil-images/mine/7y4t) | Crystal structure of cMET kinase domain bound by compound 9I | Descriptor: | 2-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-(3-nitrophenyl)pyridazin-3-one, Hepatocyte growth factor receptor | Authors: | Qu, L.Z, Chen, Y.H. | Deposit date: | 2022-06-16 | Release date: | 2022-11-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Discovery of D6808, a Highly Selective and Potent Macrocyclic c-Met Inhibitor for Gastric Cancer Harboring MET Gene Alteration Treatment. J.Med.Chem., 65, 2022
|
|
7Y4U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7y4u by Molmil](/molmil-images/mine/7y4u) | Crystal structure of cMET kinase domain bound by compound 9Y | Descriptor: | Hepatocyte growth factor receptor, ~{N}-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxidanylidene-pyridazin-3-yl]-2-(trifluoromethyl)benzamide | Authors: | Qu, L.Z, Chen, Y.H. | Deposit date: | 2022-06-16 | Release date: | 2022-11-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Discovery of D6808, a Highly Selective and Potent Macrocyclic c-Met Inhibitor for Gastric Cancer Harboring MET Gene Alteration Treatment. J.Med.Chem., 65, 2022
|
|
5WB6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wb6 by Molmil](/molmil-images/mine/5wb6) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(11S)-11-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-6-fluoro-2-oxo-1,3,4,10,11,13-hexahydro-2H-5,9:15,12-di(azeno)-1,13-benzodiazacycloheptadecin-18-yl]carbamate | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | Authors: | Sheriff, S. | Deposit date: | 2017-06-28 | Release date: | 2017-08-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Macrocyclic factor XIa inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
|
|
8JVM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jvm by Molmil](/molmil-images/mine/8jvm) | AHS-CSF domains of phage lambda tail | Descriptor: | Tip attachment protein J | Authors: | Wang, J. | Deposit date: | 2023-06-28 | Release date: | 2023-10-18 | Last modified: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (3.86 Å) | Cite: | Architecture of the bacteriophage lambda tail. Structure, 32, 2024
|
|
8KGE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8kge by Molmil](/molmil-images/mine/8kge) | |
4I5S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4i5s by Molmil](/molmil-images/mine/4i5s) | Structure and function of sensor histidine kinase | Descriptor: | Putative histidine kinase CovS; VicK-like protein | Authors: | Cai, Y. | Deposit date: | 2012-11-28 | Release date: | 2013-03-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Mechanistic insights revealed by the crystal structure of a histidine kinase with signal transducer and sensor domains Plos Biol., 11, 2013
|
|
8GVJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gvj by Molmil](/molmil-images/mine/8gvj) | Crystal structure of cMET kinase domain bound by D6808 | Descriptor: | (1^4Z,5^2E)-6^3-(trifluoromethyl)-5^1,5^6-dihydro-1^1H-8-aza-2(3,6)-quinolina-5(1,3)-pyridazina-1(4,1)-pyrazola-6(1,4)-benzenacyclododecaphane-5^6,7-dione, Hepatocyte growth factor receptor | Authors: | Chen, Y.H, Qu, L.Z. | Deposit date: | 2022-09-15 | Release date: | 2022-11-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Discovery of D6808, a Highly Selective and Potent Macrocyclic c-Met Inhibitor for Gastric Cancer Harboring MET Gene Alteration Treatment. J.Med.Chem., 65, 2022
|
|
7PNM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pnm by Molmil](/molmil-images/mine/7pnm) | |
7PO5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7po5 by Molmil](/molmil-images/mine/7po5) | |
7PNQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pnq by Molmil](/molmil-images/mine/7pnq) | |
4RBX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rbx by Molmil](/molmil-images/mine/4rbx) | |
4RBW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rbw by Molmil](/molmil-images/mine/4rbw) | Crystal structure of human alpha-defensin 5, HD5 (Thr7Arg Glu21Arg mutant) | Descriptor: | CHLORIDE ION, Defensin-5, SULFATE ION | Authors: | Pazgier, M, Gohain, N, Tolbert, W.D. | Deposit date: | 2014-09-13 | Release date: | 2015-07-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Design of a potent antibiotic peptide based on the active region of human defensin 5. J.Med.Chem., 58, 2015
|
|