8ILS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ils by Molmil](/molmil-images/mine/8ils) | Cryo-EM structure of PI3Kalpha in complex with compound 17 | Descriptor: | N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | Deposit date: | 2023-03-04 | Release date: | 2023-09-13 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural insights into the interaction of three Y-shaped ligands with PI3K alpha. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
8V8H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8v8h by Molmil](/molmil-images/mine/8v8h) | PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 4). | Descriptor: | (2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide, 2-({(1R)-1-[2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethyl-4-oxo-4H-1-benzopyran-8-yl]ethyl}amino)benzoic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | Authors: | Gunn, R.J, Lawson, J.D. | Deposit date: | 2023-12-05 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (3.58 Å) | Cite: | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein. J.Med.Chem., 67, 2024
|
|
8FCB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fcb by Molmil](/molmil-images/mine/8fcb) | Cryo-EM structure of the human TRPV4 - RhoA in complex with GSK1016790A | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, CHOLESTEROL HEMISUCCINATE, N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide, ... | Authors: | Kwon, D.H, Lee, S.-Y, Zhang, F. | Deposit date: | 2022-12-01 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.52 Å) | Cite: | TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease. Nat Commun, 14, 2023
|
|
8V8I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8v8i by Molmil](/molmil-images/mine/8v8i) | PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket (compound 5). | Descriptor: | (2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide, CHLORIDE ION, N-{(3S)-3-(2-methylphenyl)-6-[(oxetan-3-yl)amino]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-1-benzothiophene-3-carboxamide, ... | Authors: | Gunn, R.J, Lawson, J.D. | Deposit date: | 2023-12-05 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein. J.Med.Chem., 67, 2024
|
|
8V8V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8v8v by Molmil](/molmil-images/mine/8v8v) | PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 7). | Descriptor: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, 2-[[(1~{R})-1-(7-methyl-4-oxidanylidene-2-piperidin-1-yl-3~{H}-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | Authors: | Gunn, R.J, Lawson, J.D. | Deposit date: | 2023-12-06 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein. J.Med.Chem., 67, 2024
|
|
8V8U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8v8u by Molmil](/molmil-images/mine/8v8u) | PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 12). | Descriptor: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, (3S)-9-[(1R)-1-(2-carboxyanilino)ethyl]-3-cyano-7-methyl-4-oxo-2-(piperidin-1-yl)-3,4-dihydropyrido[1,2-a]pyrimidin-5-ium, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | Authors: | Gunn, R.J, Lawson, J.D. | Deposit date: | 2023-12-06 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein. J.Med.Chem., 67, 2024
|
|
8V8J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8v8j by Molmil](/molmil-images/mine/8v8j) | PI3Ka H1047R co-crystal structure with inhibitors in two cryptic pockets (compounds 4 and 5). | Descriptor: | (2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide, 2-({(1R)-1-[2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethyl-4-oxo-4H-1-benzopyran-8-yl]ethyl}amino)benzoic acid, N-{(3S)-3-(2-methylphenyl)-6-[(oxetan-3-yl)amino]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-1-benzothiophene-3-carboxamide, ... | Authors: | Gunn, R.J, Lawson, J.D. | Deposit date: | 2023-12-05 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein. J.Med.Chem., 67, 2024
|
|
8FC7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fc7 by Molmil](/molmil-images/mine/8fc7) | Cryo-EM structure of the human TRPV4 - RhoA in complex with GSK2798745 | Descriptor: | 1-({(5S,7S)-3-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl}methyl)-1H-benzimidazole-6-carbonitrile, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Kwon, D.H, Lee, S.-Y, Zhang, F. | Deposit date: | 2022-12-01 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease. Nat Commun, 14, 2023
|
|
8FC9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fc9 by Molmil](/molmil-images/mine/8fc9) | Cryo-EM structure of the human TRPV4 - RhoA, apo condition | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transforming protein RhoA, ... | Authors: | Kwon, D.H, Lee, S.-Y, Zhang, F. | Deposit date: | 2022-12-01 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.75 Å) | Cite: | TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease. Nat Commun, 14, 2023
|
|
1MF1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1mf1 by Molmil](/molmil-images/mine/1mf1) | Structure of the Recombinant Mouse-Muscle Adenylosuccinate Synthetase Complexed with AMP | Descriptor: | ACETATE ION, ADENOSINE MONOPHOSPHATE, Adenylosuccinate Synthetase | Authors: | Iancu, C.V, Borza, T, Fromm, H.J, Honzatko, R.B. | Deposit date: | 2002-08-09 | Release date: | 2002-10-30 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Feedback inhibition and product complexes of recombinant mouse muscle adenylosuccinate synthetase. J.Biol.Chem., 277, 2002
|
|
1M31
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1m31 by Molmil](/molmil-images/mine/1m31) | Three-Dimensional Solution Structure of Apo-Mts1 | Descriptor: | Placental calcium-binding protein | Authors: | Vallely, K.M, Rustandi, R.R, Ellis, K.C, Varlamova, O, Bresnick, A.R, Weber, D.J. | Deposit date: | 2002-06-26 | Release date: | 2002-10-30 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of human Mts1 (S100A4) as determined by NMR spectroscopy. Biochemistry, 41, 2002
|
|
1M46
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1m46 by Molmil](/molmil-images/mine/1m46) | |
1MGS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1mgs by Molmil](/molmil-images/mine/1mgs) | |
1MSG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1msg by Molmil](/molmil-images/mine/1msg) | |
1N11
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1n11 by Molmil](/molmil-images/mine/1n11) | D34 REGION OF HUMAN ANKYRIN-R AND LINKER | Descriptor: | Ankyrin, BROMIDE ION, CHLORIDE ION | Authors: | Michaely, P, Tomchick, D.R, Machius, M, Anderson, R.G.W. | Deposit date: | 2002-10-16 | Release date: | 2002-12-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of a 12 ANK repeat stack from human ankyrinR Embo J., 21, 2002
|
|
2ZGY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2zgy by Molmil](/molmil-images/mine/2zgy) | PARM with GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Plasmid segregation protein parM | Authors: | Popp, D, Narita, A, Oda, T, Fujisawa, T, Matsuo, H, Nitanai, Y, Iwasa, M, Maeda, K, Onishi, H, Maeda, Y. | Deposit date: | 2008-01-30 | Release date: | 2008-02-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular structure of the ParM polymer and the mechanism leading to its nucleotide-driven dynamic instability Embo J., 27, 2008
|
|
2ZHC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2zhc by Molmil](/molmil-images/mine/2zhc) | ParM filament | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Plasmid segregation protein parM | Authors: | Popp, D, Narita, A, Oda, T, Fujisawa, T, Matsuo, H, Nitanai, Y, Iwasa, M, Maeda, K, Onishi, H, Maeda, Y. | Deposit date: | 2008-02-04 | Release date: | 2008-02-26 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (23 Å) | Cite: | Molecular structure of the ParM polymer and the mechanism leading to its nucleotide-driven dynamic instability Embo J., 27, 2008
|
|
2ZPY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2zpy by Molmil](/molmil-images/mine/2zpy) | Crystal structure of the mouse radxin FERM domain complexed with the mouse CD44 cytoplasmic peptide | Descriptor: | CD44 antigen, Radixin | Authors: | Mori, T, Kitano, K, Terawaki, S, Maesaki, R, Fukami, Y, Hakoshima, T. | Deposit date: | 2008-07-31 | Release date: | 2008-08-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for CD44 recognition by ERM proteins J.Biol.Chem., 283, 2008
|
|
2ZGZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2zgz by Molmil](/molmil-images/mine/2zgz) | PARM with GMPPNP | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Plasmid segregation protein parM | Authors: | Popp, D, Narita, A, Oda, T, Fujisawa, T, Matsuo, H, Nitanai, Y, Iwasa, M, Maeda, K, Onishi, H, Maeda, Y. | Deposit date: | 2008-01-30 | Release date: | 2008-02-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Molecular structure of the ParM polymer and the mechanism leading to its nucleotide-driven dynamic instability Embo J., 27, 2008
|
|
7MYN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7myn by Molmil](/molmil-images/mine/7myn) | Cryo-EM Structure of p110alpha in complex with p85alpha | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Liu, X, Yang, S, Hart, J.R, Xu, Y, Zou, X, Zhang, H, Zhou, Q, Xia, T, Zhang, Y, Yang, D, Wang, M.-W, Vogt, P.K. | Deposit date: | 2021-05-21 | Release date: | 2021-11-10 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.79 Å) | Cite: | Cryo-EM structures of PI3K alpha reveal conformational changes during inhibition and activation. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7MYO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7myo by Molmil](/molmil-images/mine/7myo) | Cryo-EM structure of p110alpha in complex with p85alpha inhibited by BYL-719 | Descriptor: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Liu, X, Yang, S, Hart, J.R, Xu, Y, Zou, X, Zhang, H, Zhou, Q, Xia, T, Zhang, Y, Yang, D, Wang, M.-W, Vogt, P.K. | Deposit date: | 2021-05-21 | Release date: | 2021-11-10 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.92 Å) | Cite: | Cryo-EM structures of PI3K alpha reveal conformational changes during inhibition and activation. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7NPM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7npm by Molmil](/molmil-images/mine/7npm) | |
5ZCS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5zcs by Molmil](/molmil-images/mine/5zcs) | 4.9 Angstrom Cryo-EM structure of human mTOR complex 2 | Descriptor: | Rapamycin-insensitive companion of mTOR, Serine/threonine-protein kinase mTOR, Target of rapamycin complex 2 subunit MAPKAP1, ... | Authors: | Chen, X, Liu, M, Tian, Y, Wang, H, Wang, J, Xu, Y. | Deposit date: | 2018-02-20 | Release date: | 2018-03-21 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.9 Å) | Cite: | Cryo-EM structure of human mTOR complex 2. Cell Res., 28, 2018
|
|
3L9I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3l9i by Molmil](/molmil-images/mine/3l9i) | Myosin VI nucleotide-free (mdinsert2) L310G mutant crystal structure | Descriptor: | ACETATE ION, CALCIUM ION, Calmodulin, ... | Authors: | Pylypenko, O, Song, L, Sweeney, L.H, Houdusse, A. | Deposit date: | 2010-01-05 | Release date: | 2010-12-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Role of insert i of myosin VI in modulating nucleotide affinity To be Published
|
|
6TM1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tm1 by Molmil](/molmil-images/mine/6tm1) | |