2E2Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2e2z by Molmil](/molmil-images/mine/2e2z) | Solution NMR structure of yeast Tim15, co-chaperone of mitochondrial Hsp70 | Descriptor: | Tim15, ZINC ION | Authors: | Momose, T, Ohshima, C, Maeda, M, Endo, T. | Deposit date: | 2006-11-19 | Release date: | 2007-10-09 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structural basis of functional cooperation of Tim15/Zim17 with yeast mitochondrial Hsp70 Embo Rep., 8, 2007
|
|
2RQ8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2rq8 by Molmil](/molmil-images/mine/2rq8) | Solution NMR structure of titin I27 domain mutant | Descriptor: | Titin | Authors: | Yagawa, K, Oguro, T, Momose, T, Kawano, S, Sato, T, Endo, T. | Deposit date: | 2009-03-05 | Release date: | 2010-02-02 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structural basis for unfolding pathway-dependent stability of proteins: Vectorial unfolding vs. global unfolding Protein Sci., 2010
|
|
3A3C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3a3c by Molmil](/molmil-images/mine/3a3c) | Crystal structure of TIM40/MIA40 fusing MBP, C296S and C298S mutant | Descriptor: | Maltose-binding periplasmic protein, LINKER, Mitochondrial intermembrane space import and assembly protein 40, ... | Authors: | Kawano, S, Naoe, M, Momose, T, Watanabe, N, Endo, T. | Deposit date: | 2009-06-11 | Release date: | 2009-08-04 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis of yeast Tim40/Mia40 as an oxidative translocator in the mitochondrial intermembrane space. Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
2ZXT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2zxt by Molmil](/molmil-images/mine/2zxt) | Crystal structure of Tim40/MIA40, a disulfide relay system in mitochondria, solved as MBP fusion protein | Descriptor: | Maltose-binding periplasmic protein, LINKER, Mitochondrial intermembrane space import and assembly protein 40, ... | Authors: | Kawano, S, Momose, T, Watanabe, N, Endo, T. | Deposit date: | 2009-01-07 | Release date: | 2009-08-04 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis of yeast Tim40/Mia40 as an oxidative translocator in the mitochondrial intermembrane space. Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
5H3Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5h3q by Molmil](/molmil-images/mine/5h3q) | Crystal Structure of TrkA kinase with ligand | Descriptor: | 1-[(3S,4R)-4-[3,4-bis(fluoranyl)phenyl]-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-(5-ethoxy-4-methyl-2-phenyl-pyrazol-3-yl)urea, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, High affinity nerve growth factor receptor, ... | Authors: | Noritaka, F. | Deposit date: | 2016-10-26 | Release date: | 2017-02-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The juxtamembrane region of TrkA kinase is critical for inhibitor selectivity Bioorg. Med. Chem. Lett., 27, 2017
|
|
6IQN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6iqn by Molmil](/molmil-images/mine/6iqn) | Crystal structure of TrkA kinase with ligand | Descriptor: | 4-[[4-azanyl-3-(4-cyclohexylpiperazin-1-yl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzoic acid, High affinity nerve growth factor receptor | Authors: | Noritaka, F. | Deposit date: | 2018-11-08 | Release date: | 2020-01-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | An isoform-selective inhibitor of tropomyosin receptor kinase A behaves as molecular glue. Bioorg.Med.Chem.Lett., 30, 2020
|
|
8WD4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8wd4 by Molmil](/molmil-images/mine/8wd4) | EGFR(L858R/T790/C797S) in complex with compound 5j | Descriptor: | CHLORIDE ION, Epidermal growth factor receptor, ~{N}-[3,3-bis(fluoranyl)propyl]-4-[[(2~{S})-butan-2-yl]amino]-6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]pyridine-3-carboxamide | Authors: | Nishikawa, Y. | Deposit date: | 2023-09-14 | Release date: | 2023-12-20 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Synthesis, activity, and their relationships of 2,4-diaminonicotinamide derivatives as EGFR inhibitors targeting C797S mutation. Bioorg.Med.Chem.Lett., 98, 2023
|
|
3A7E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3a7e by Molmil](/molmil-images/mine/3a7e) | Crystal structure of human COMT complexed with SAM and 3,5-dinitrocatechol | Descriptor: | 3,5-DINITROCATECHOL, Catechol O-methyltransferase, MAGNESIUM ION, ... | Authors: | Tsuji, E. | Deposit date: | 2009-09-26 | Release date: | 2010-09-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Hit to Lead: Comprehensive Strategy of de novo Scaffold Generation by FBDD. Part 1: In silico Fragments Linking and Verification of Spatial Proximity using Inter Ligand NOE Approachs To be Published
|
|
7Y1G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7y1g by Molmil](/molmil-images/mine/7y1g) | Crystal structure of human PRKACA complexed with DS01080522 | Descriptor: | 1-chloranyl-~{N}-[(~{S})-(3-chloranyl-4-cyano-phenyl)-[(2~{R},4~{S})-4-oxidanylpyrrolidin-2-yl]methyl]-7-methoxy-isoquinoline-6-carboxamide, ZINC ION, cAMP-dependent protein kinase catalytic subunit alpha | Authors: | Suzuki, M, Ubukata, O, Toyoda, A. | Deposit date: | 2022-06-08 | Release date: | 2022-09-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Novel protein kinase cAMP-Activated Catalytic Subunit Alpha (PRKACA) inhibitor shows anti-tumor activity in a fibrolamellar hepatocellular carcinoma model. Biochem.Biophys.Res.Commun., 621, 2022
|
|
7XVY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xvy by Molmil](/molmil-images/mine/7xvy) | Human Estrogen Receptor beta Ligand-binding Domain in Complex with S-DPN | Descriptor: | (2~{S})-2,3-bis(4-hydroxyphenyl)propanenitrile, Estrogen receptor beta, Nuclear receptor coactivator 1 | Authors: | Furuya, N, Handa, C. | Deposit date: | 2022-05-25 | Release date: | 2022-07-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.544 Å) | Cite: | Evaluating the correlation of binding affinities between isothermal titration calorimetry and fragment molecular orbital method of estrogen receptor beta with diarylpropionitrile (DPN) or DPN derivatives. J.Steroid Biochem.Mol.Biol., 222, 2022
|
|
7XWQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xwq by Molmil](/molmil-images/mine/7xwq) | |
7XWR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xwr by Molmil](/molmil-images/mine/7xwr) | |
7XWP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xwp by Molmil](/molmil-images/mine/7xwp) | |
7XVZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xvz by Molmil](/molmil-images/mine/7xvz) | |