4U7Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4u7z by Molmil](/molmil-images/mine/4u7z) | Mitogen-Activated Protein Kinase Kinase (MEK1) bound to G805 | Descriptor: | 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | Authors: | Robarge, K.D, Ultsch, M.H, Wiesmann, C. | Deposit date: | 2014-07-31 | Release date: | 2014-09-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.805 Å) | Cite: | Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479. Bioorg.Med.Chem.Lett., 24, 2014
|
|
3CC0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3cc0 by Molmil](/molmil-images/mine/3cc0) | |
3CBY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3cby by Molmil](/molmil-images/mine/3cby) | |
3CBX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3cbx by Molmil](/molmil-images/mine/3cbx) | |
3CBZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3cbz by Molmil](/molmil-images/mine/3cbz) | |
1SHY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1shy by Molmil](/molmil-images/mine/1shy) | |
6THP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6thp by Molmil](/molmil-images/mine/6thp) | |
2JOA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2joa by Molmil](/molmil-images/mine/2joa) | HtrA1 bound to an optimized peptide: NMR assignment of PDZ domain and ligand resonances | Descriptor: | Peptide H1-C1, Serine protease HTRA1 | Authors: | Runyon, S.T, Zhang, Y, Appleton, B.A, Sazinksy, S.L, Wu, P, Pan, B, Wiesmann, C, Skelton, N.J, Sidhu, S.S. | Deposit date: | 2007-03-01 | Release date: | 2007-11-20 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Structural and functional analysis of the PDZ domains of human HtrA1 and HtrA3 Protein Sci., 16, 2007
|
|
3R7R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3r7r by Molmil](/molmil-images/mine/3r7r) | Structure-based design of thienobenzoxepin inhibitors of PI3-Kinase | Descriptor: | 8-(acetylamino)-N-(2-chlorophenyl)-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Murray, J.M, Wiesmann, C. | Deposit date: | 2011-03-22 | Release date: | 2011-08-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure-based design of thienobenzoxepin inhibitors of PI3-kinase. Bioorg.Med.Chem.Lett., 21, 2011
|
|
3TL5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3tl5 by Molmil](/molmil-images/mine/3tl5) | Discovery of GDC-0980: a Potent, Selective, and Orally Available Class I Phosphatidylinositol 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Kinase Inhibitor for the Treatment of Cancer | Descriptor: | (2S)-1-(4-{[2-(2-aminopyrimidin-5-yl)-7-methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}piperazin-1-yl)-2-hydroxypropan-1-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Murray, J.M, Wiesmann, C. | Deposit date: | 2011-08-29 | Release date: | 2011-11-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.788 Å) | Cite: | Discovery of a Potent, Selective, and Orally Available Class I Phosphatidylinositol 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Kinase Inhibitor (GDC-0980) for the Treatment of Cancer. J.Med.Chem., 54, 2011
|
|
3R7Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3r7q by Molmil](/molmil-images/mine/3r7q) | Structure-based design of thienobenzoxepin inhibitors of PI3- kinase | Descriptor: | N-(2-chlorophenyl)-N-methyl-4H-thieno[3,2-c]chromene-2-carboxamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Murray, J.M, Wiesmann, C. | Deposit date: | 2011-03-22 | Release date: | 2011-08-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-based design of thienobenzoxepin inhibitors of PI3-kinase. Bioorg.Med.Chem.Lett., 21, 2011
|
|
1SHM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1shm by Molmil](/molmil-images/mine/1shm) | |
4Q2Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4q2q by Molmil](/molmil-images/mine/4q2q) | |
4Q2O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4q2o by Molmil](/molmil-images/mine/4q2o) | |
4Q2P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4q2p by Molmil](/molmil-images/mine/4q2p) | NHERF3 PDZ2 in Complex with a Phage-Derived Peptide | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Na(+)/H(+) exchange regulatory cofactor NHE-RF3 | Authors: | Appleton, B.A, Wiesmann, C. | Deposit date: | 2014-04-09 | Release date: | 2014-09-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | A structural portrait of the PDZ domain family. J.Mol.Biol., 426, 2014
|
|
4Q2N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4q2n by Molmil](/molmil-images/mine/4q2n) | |
2PZD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2pzd by Molmil](/molmil-images/mine/2pzd) | |
2P3W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2p3w by Molmil](/molmil-images/mine/2p3w) | |
2QQO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2qqo by Molmil](/molmil-images/mine/2qqo) | Crystal Structure of the a2b1b2 Domains from Human Neuropilin-2 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | Appleton, B.A, Wiesmann, C. | Deposit date: | 2007-07-26 | Release date: | 2007-11-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural studies of neuropilin/antibody complexes provide insights into semaphorin and VEGF binding Embo J., 26, 2007
|
|
2QQM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2qqm by Molmil](/molmil-images/mine/2qqm) | Crystal Structure of the a2b1b2 Domains from Human Neuropilin-1 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Appleton, B.A, Wiesmann, C. | Deposit date: | 2007-07-26 | Release date: | 2007-11-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural studies of neuropilin/antibody complexes provide insights into semaphorin and VEGF binding Embo J., 26, 2007
|
|
2QQN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2qqn by Molmil](/molmil-images/mine/2qqn) | |
2QQK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2qqk by Molmil](/molmil-images/mine/2qqk) | |
2QQI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2qqi by Molmil](/molmil-images/mine/2qqi) | |
2QQL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2qql by Molmil](/molmil-images/mine/2qql) | |
2QQJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2qqj by Molmil](/molmil-images/mine/2qqj) | |