8Q68
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8q68 by Molmil](/molmil-images/mine/8q68) | Crystal structure of TEAD1-YBD in complex with irreversible compound SWTX-143 | 分子名称: | Transcriptional enhancer factor TEF-1, ~{N}-[(3~{S})-5-azanyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2~{H}-quinolin-3-yl]propanamide | 著者 | Ciesielski, F, Spieser, S.A.H, Marchand, A, Gwaltney, S.L. | 登録日 | 2023-08-11 | 公開日 | 2023-10-04 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | A Novel Irreversible TEAD Inhibitor, SWTX-143, Blocks Hippo Pathway Transcriptional Output and Causes Tumor Regression in Preclinical Mesothelioma Models. Mol.Cancer Ther., 23, 2024
|
|
3LPU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3lpu by Molmil](/molmil-images/mine/3lpu) | HIV integrase | 分子名称: | (2S)-2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)pentanoic acid, 2-[3-[3-(2-hydroxyethoxy)propoxy]propoxy]ethanol, CALCIUM ION, ... | 著者 | Nicolet, S, Christ, F, Voet, A, Marchand, A, Strelkov, S.V, de Maeyer, M, Chaltin, P, Debyzer, Z. | 登録日 | 2010-02-06 | 公開日 | 2010-05-12 | 最終更新日 | 2021-11-10 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Rational design of small-molecule inhibitors of the LEDGF/p75-integrase interaction and HIV replication. Nat.Chem.Biol., 6, 2010
|
|
3LPT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3lpt by Molmil](/molmil-images/mine/3lpt) | HIV integrase | 分子名称: | (6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)acetic acid, 2-[3-[3-(2-hydroxyethoxy)propoxy]propoxy]ethanol, CALCIUM ION, ... | 著者 | Nicolet, S, Christ, F, Voet, A, Marchand, A, Strelkov, S.V, de Maeyer, M, Chaltin, P, Debyzer, Z. | 登録日 | 2010-02-05 | 公開日 | 2010-05-12 | 最終更新日 | 2021-11-10 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Rational design of small-molecule inhibitors of the LEDGF/p75-integrase interaction and HIV replication. Nat.Chem.Biol., 6, 2010
|
|
7XYQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xyq by Molmil](/molmil-images/mine/7xyq) | Crystal strucutre of PD-L1 and the computationally designed DBL1_03 protein binder | 分子名称: | ARGININE, CD274 molecule, DBL1_03 | 著者 | Liu, K, Xu, Z, Han, P, Pacesa, M, Gao, G.F, Chai, Y, Tan, S. | 登録日 | 2022-06-02 | 公開日 | 2023-04-12 | 最終更新日 | 2023-05-17 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | De novo design of protein interactions with learned surface fingerprints. Nature, 617, 2023
|
|
7XAD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xad by Molmil](/molmil-images/mine/7xad) | Crystal strucutre of PD-L1 and DBL2_02 designed protein binder | 分子名称: | DBL2_02 binder, Programmed cell death 1 ligand 1 | 著者 | Liu, K.F, Xu, Z.P, Han, P, Pacesa, M, Gao, G.F, Chai, Y, Tan, S.G. | 登録日 | 2022-03-17 | 公開日 | 2023-04-12 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | De novo design of protein interactions with learned surface fingerprints. Nature, 617, 2023
|
|
7ZSD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zsd by Molmil](/molmil-images/mine/7zsd) | cryo-EM structure of omicron spike in complex with de novo designed binder, local | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, de novo designed binder | 著者 | Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C. | 登録日 | 2022-05-06 | 公開日 | 2023-03-01 | 最終更新日 | 2023-05-24 | 実験手法 | ELECTRON MICROSCOPY (3.29 Å) | 主引用文献 | De novo design of protein interactions with learned surface fingerprints. Nature, 617, 2023
|
|
7ZSS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zss by Molmil](/molmil-images/mine/7zss) | cryo-EM structure of D614 spike in complex with de novo designed binder | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | 著者 | Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C. | 登録日 | 2022-05-08 | 公開日 | 2023-03-01 | 最終更新日 | 2023-05-24 | 実験手法 | ELECTRON MICROSCOPY (2.63 Å) | 主引用文献 | De novo design of protein interactions with learned surface fingerprints. Nature, 617, 2023
|
|
7ZRV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zrv by Molmil](/molmil-images/mine/7zrv) | cryo-EM structure of omicron spike in complex with de novo designed binder, full map | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Envelope glycoprotein, ... | 著者 | Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C. | 登録日 | 2022-05-05 | 公開日 | 2023-03-08 | 最終更新日 | 2023-05-24 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | De novo design of protein interactions with learned surface fingerprints. Nature, 617, 2023
|
|