4MPN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mpn by Molmil](/molmil-images/mine/4mpn) | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS10 | Descriptor: | 2-[(2,4-dihydroxyphenyl)sulfonyl]-2,3-dihydro-1H-isoindole-4,6-diol, L(+)-TARTARIC ACID, [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, ... | Authors: | Gui, W.J, Tso, S.C, Chuang, J.L, Wu, C.Y, Qi, X, Tambar, U.K, Wynn, R.M, Chuang, D.T. | Deposit date: | 2013-09-13 | Release date: | 2014-01-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.752 Å) | Cite: | Structure-guided Development of Specific Pyruvate Dehydrogenase Kinase Inhibitors Targeting the ATP-binding Pocket. J.Biol.Chem., 289, 2014
|
|
4MP2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mp2 by Molmil](/molmil-images/mine/4mp2) | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PA1 | Descriptor: | (5-bromo-2,4-dihydroxyphenyl)(1,3-dihydro-2H-isoindol-2-yl)methanone, L(+)-TARTARIC ACID, [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, ... | Authors: | Gui, W.J, Tso, S.C, Chuang, J.L, Wu, C.Y, Qi, X, Tambar, U.K, Wynn, R.M, Chuang, D.T. | Deposit date: | 2013-09-12 | Release date: | 2014-01-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.751 Å) | Cite: | Structure-guided Development of Specific Pyruvate Dehydrogenase Kinase Inhibitors Targeting the ATP-binding Pocket. J.Biol.Chem., 289, 2014
|
|
4MP7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mp7 by Molmil](/molmil-images/mine/4mp7) | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PA7 | Descriptor: | 4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol, L(+)-TARTARIC ACID, [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, ... | Authors: | Gui, W.J, Tso, S.C, Chuang, J.L, Wu, C.Y, Qi, X, Tambar, U.K, Wynn, R.M, Chuang, D.T. | Deposit date: | 2013-09-12 | Release date: | 2014-01-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-guided Development of Specific Pyruvate Dehydrogenase Kinase Inhibitors Targeting the ATP-binding Pocket. J.Biol.Chem., 289, 2014
|
|
4MPE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mpe by Molmil](/molmil-images/mine/4mpe) | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS8 | Descriptor: | 4-[(5-hydroxy-1,3-dihydro-2H-isoindol-2-yl)sulfonyl]benzene-1,3-diol, L(+)-TARTARIC ACID, [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, ... | Authors: | Gui, W.J, Tso, S.C, Chuang, J.L, Wu, C.Y, Qi, X, Tambar, U.K, Wynn, R.M, Chuang, D.T. | Deposit date: | 2013-09-12 | Release date: | 2014-01-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.953 Å) | Cite: | Structure-guided Development of Specific Pyruvate Dehydrogenase Kinase Inhibitors Targeting the ATP-binding Pocket. J.Biol.Chem., 289, 2014
|
|
4MPC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mpc by Molmil](/molmil-images/mine/4mpc) | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS2 | Descriptor: | 4-(isoindolin-2-ylsulfonyl)benzene-1,3-diol, L(+)-TARTARIC ACID, [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, ... | Authors: | Gui, W.J, Tso, S.C, Chuang, J.L, Wu, C.Y, Qi, X, Tambar, U.K, Wynn, R.M, Chuang, D.T. | Deposit date: | 2013-09-12 | Release date: | 2014-01-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.699 Å) | Cite: | Structure-guided Development of Specific Pyruvate Dehydrogenase Kinase Inhibitors Targeting the ATP-binding Pocket. J.Biol.Chem., 289, 2014
|
|
7CIW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ciw by Molmil](/molmil-images/mine/7ciw) | |
7CNN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cnn by Molmil](/molmil-images/mine/7cnn) | vinorelbine in complex with tubulin | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Wang, Y.X, Wu, C.Y. | Deposit date: | 2020-08-02 | Release date: | 2021-08-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The high-resolution X-ray structure of vinca-domain inhibitors of microtubules provides a rational approach for drug design. Febs Lett., 595, 2021
|
|
7CNM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cnm by Molmil](/molmil-images/mine/7cnm) | YDX in complex with tubulin | Descriptor: | (2~{S},4~{S})-4-[[2-[(1~{R},3~{R})-1-acetyloxy-4-methyl-3-[[(2~{S},3~{S})-3-methyl-2-[[(2~{R})-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-cyclohexyl-2-methyl-pentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Wang, Y.X, Wu, C.Y. | Deposit date: | 2020-08-02 | Release date: | 2021-08-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | The high-resolution X-ray structure of vinca-domain inhibitors of microtubules provides a rational approach for drug design. Febs Lett., 595, 2021
|
|
8HCG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hcg by Molmil](/molmil-images/mine/8hcg) | Crystal structure of mTREX1-dAMP complex | Descriptor: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | Authors: | Hsiao, Y.Y, Huang, K.W, Wu, C.Y. | Deposit date: | 2022-11-01 | Release date: | 2023-11-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.799 Å) | Cite: | Molecular insight into the specific enzymatic properties of TREX1 revealing the diverse functions in processing RNA and DNA/RNA hybrids. Nucleic Acids Res., 51, 2023
|
|
8HCD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hcd by Molmil](/molmil-images/mine/8hcd) | Crystal structure of mTREX1-DNA product complex (dNMP) | Descriptor: | 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, COBALT (II) ION, ... | Authors: | Hsiao, Y.Y, Huang, K.W, Wu, C.Y. | Deposit date: | 2022-11-01 | Release date: | 2023-11-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular insight into the specific enzymatic properties of TREX1 revealing the diverse functions in processing RNA and DNA/RNA hybrids. Nucleic Acids Res., 51, 2023
|
|
8HCE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hce by Molmil](/molmil-images/mine/8hce) | Crystal structure of mTREX1-CMP complex | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AMMONIUM ION, CYTIDINE-5'-MONOPHOSPHATE, ... | Authors: | Hsiao, Y.Y, Huang, K.W, Wu, C.Y. | Deposit date: | 2022-11-01 | Release date: | 2023-11-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.501 Å) | Cite: | Molecular insight into the specific enzymatic properties of TREX1 revealing the diverse functions in processing RNA and DNA/RNA hybrids. Nucleic Acids Res., 51, 2023
|
|
8HCF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hcf by Molmil](/molmil-images/mine/8hcf) | Crystal structure of mTREX1-UMP complex | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, SULFATE ION, Three-prime repair exonuclease 1, ... | Authors: | Hsiao, Y.Y, Huang, K.W, Wu, C.Y. | Deposit date: | 2022-11-01 | Release date: | 2023-11-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Molecular insight into the specific enzymatic properties of TREX1 revealing the diverse functions in processing RNA and DNA/RNA hybrids. Nucleic Acids Res., 51, 2023
|
|
8HCC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hcc by Molmil](/molmil-images/mine/8hcc) | Crystal structure of mTREX1-RNA product complex (AMP) | Descriptor: | ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, SODIUM ION, ... | Authors: | Hsiao, Y.Y, Huang, K.W, Wu, C.Y. | Deposit date: | 2022-11-01 | Release date: | 2023-11-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular insight into the specific enzymatic properties of TREX1 revealing the diverse functions in processing RNA and DNA/RNA hybrids. Nucleic Acids Res., 51, 2023
|
|
8HCH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hch by Molmil](/molmil-images/mine/8hch) | Crystal structure of mTREX1-Uridine complex | Descriptor: | MAGNESIUM ION, Three-prime repair exonuclease 1, URIDINE | Authors: | Hsiao, Y.Y, Huang, K.W, Wu, C.Y. | Deposit date: | 2022-11-01 | Release date: | 2023-11-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular insight into the specific enzymatic properties of TREX1 revealing the diverse functions in processing RNA and DNA/RNA hybrids. Nucleic Acids Res., 51, 2023
|
|
8I0B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8i0b by Molmil](/molmil-images/mine/8i0b) | The crystal structure of human glutamate receptor 2 in complex with LT-102 | Descriptor: | 8-[4-(2-fluorophenyl)phenyl]-3,4-dihydro-1,2$l^{6},3-benzoxathiazine 2,2-dioxide, CHLORIDE ION, Glutamate receptor 2,Isoform Flip of Glutamate receptor 2, ... | Authors: | Qi, X.Y, Wu, C.Y. | Deposit date: | 2023-01-10 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Structure of the human GluA2 LBD in complex with LT-102 To Be Published
|
|
8HY7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hy7 by Molmil](/molmil-images/mine/8hy7) | EGFR kinase domain mutant "TMLR" with compound 28f | Descriptor: | Epidermal growth factor receptor, ~{N}-[3-[[6-fluoranyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]quinazolin-4-yl]amino]phenyl]prop-2-enamide | Authors: | Wang, Y.X, Wu, C.Y. | Deposit date: | 2023-01-06 | Release date: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | The crystal structure of EGFR kinase domain(T790M/L858R) in complex with compound 28f To Be Published
|
|
7XR0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xr0 by Molmil](/molmil-images/mine/7xr0) | Crystal structure of T2R-TTL-27a complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloranyl-5-fluoranyl-N-(4-methoxyphenyl)-N-methyl-quinazolin-4-amine, CALCIUM ION, ... | Authors: | Lun, T, Wu, C.Y. | Deposit date: | 2022-05-09 | Release date: | 2023-05-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of T2R-TTL-27a complex To Be Published
|
|
7XQX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xqx by Molmil](/molmil-images/mine/7xqx) | Crystal structure of T2R-TTL-27a complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloranyl-7-fluoranyl-N-(4-methoxyphenyl)-N-methyl-quinazolin-4-amine, CALCIUM ION, ... | Authors: | Lun, T, Wu, C.Y. | Deposit date: | 2022-05-09 | Release date: | 2023-05-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.36 Å) | Cite: | Crystal structure of T2R-TT complex To Be Published
|
|
7XR1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xr1 by Molmil](/molmil-images/mine/7xr1) | Crystal structure of T2R-TTL-3a complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloranyl-6-fluoranyl-N-(4-methoxyphenyl)-N-methyl-quinazolin-4-amine, CALCIUM ION, ... | Authors: | Lun, T, Wu, C.Y. | Deposit date: | 2022-05-09 | Release date: | 2023-05-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Crystal structure of T2R-TTL-3a complex To Be Published
|
|