3E5A
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 3e5a by Molmil](/molmil-images/mine/3e5a) | Crystal structure of Aurora A in complex with VX-680 and TPX2 | Descriptor: | CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, SULFATE ION, Serine/threonine-protein kinase 6, ... | Authors: | Zhao, B, Smallwood, A, Lai, Z. | Deposit date: | 2008-08-13 | Release date: | 2008-10-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Modulation of kinase-inhibitor interactions by auxiliary protein binding: crystallography studies on Aurora A interactions with VX-680 and with TPX2. Protein Sci., 17, 2008
|
|
7Y7N
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7y7n by Molmil](/molmil-images/mine/7y7n) | |
6KO0
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6ko0 by Molmil](/molmil-images/mine/6ko0) | The crystal structue of PDE10A complexed with 1i | Descriptor: | 3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Huang, Y.-Y, Yu, Y.F, Zhang, C, Guo, L, Wu, D, Luo, H.-B. | Deposit date: | 2019-08-07 | Release date: | 2020-04-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.600029 Å) | Cite: | Discovery and Optimization of Chromone Derivatives as Novel Selective Phosphodiesterase 10 Inhibitors. Acs Chem Neurosci, 11, 2020
|
|
6KO1
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6ko1 by Molmil](/molmil-images/mine/6ko1) | The crystal structue of PDE10A complexed with 2d | Descriptor: | 6-chloranyl-3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Huang, Y.-Y, Yu, Y.F, Zhang, C, Guo, L, Wu, D, Luo, H.-B. | Deposit date: | 2019-08-07 | Release date: | 2020-04-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery and Optimization of Chromone Derivatives as Novel Selective Phosphodiesterase 10 Inhibitors. Acs Chem Neurosci, 11, 2020
|
|
3KDU
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 3kdu by Molmil](/molmil-images/mine/3kdu) | |
3KDT
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 3kdt by Molmil](/molmil-images/mine/3kdt) | |
8H69
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8h69 by Molmil](/molmil-images/mine/8h69) | Cryo-EM structure of influenza RNA polymerase | Descriptor: | Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-R(*UP*AP*AP*AP*CP*UP*CP*CP*UP*GP*CP*UP*UP*UP*UP*GP*CP*U)-3'), ... | Authors: | Li, H, Wu, Y, Liang, H, Liu, Y. | Deposit date: | 2022-10-16 | Release date: | 2023-06-28 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | An intermediate state allows influenza polymerase to switch smoothly between transcription and replication cycles. Nat.Struct.Mol.Biol., 30, 2023
|
|
3MAR
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 3mar by Molmil](/molmil-images/mine/3mar) | |
3MAS
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 3mas by Molmil](/molmil-images/mine/3mas) | |
3MAP
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 3map by Molmil](/molmil-images/mine/3map) | |
3DOF
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 3dof by Molmil](/molmil-images/mine/3dof) | Complex of ARL2 and BART, Crystal Form 2 | Descriptor: | ADP-ribosylation factor-like protein 2, ADP-ribosylation factor-like protein 2-binding protein, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Zhang, T, Li, S, Ding, J. | Deposit date: | 2008-07-04 | Release date: | 2009-03-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Crystal structure of the ARL2-GTP-BART complex reveals a novel recognition and binding mode of small GTPase with effector Structure, 17, 2009
|
|
3D0E
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 3d0e by Molmil](/molmil-images/mine/3d0e) | Crystal structure of human Akt2 in complex with GSK690693 | Descriptor: | 4-{2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S)-piperidin-3-ylmethoxy]-1H-imidazo[4,5-c]pyridin-4-yl}-2-methylbut-3-yn-2-ol, RAC-beta serine/threonine-protein kinase | Authors: | Concha, N.O, Smallwood, A. | Deposit date: | 2008-05-01 | Release date: | 2008-10-21 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of 4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-{[(3S)-3-piperidinylmethyl]oxy}-1H-imidazo[4,5-c]pyridin-4-yl)-2-methyl-3-butyn-2-ol (GSK690693), a novel inhibitor of AKT kinase. J.Med.Chem., 51, 2008
|
|
3CXD
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 3cxd by Molmil](/molmil-images/mine/3cxd) | Crystal structure of anti-osteopontin antibody 23C3 in complex with its epitope peptide | Descriptor: | Fab fragment of anti-osteopontin antibody 23C3, Heavy chain, Light chain, ... | Authors: | Du, J, Yang, H, Zhong, C, Ding, J. | Deposit date: | 2008-04-24 | Release date: | 2008-10-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Molecular basis of recognition of human osteopontin by 23C3, a potential therapeutic antibody for treatment of rheumatoid arthritis J.Mol.Biol., 382, 2008
|
|
3DOE
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 3doe by Molmil](/molmil-images/mine/3doe) | Complex of ARL2 and BART, Crystal Form 1 | Descriptor: | ADP-ribosylation factor-like protein 2, ADP-ribosylation factor-like protein 2-binding protein, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Zhang, T, Li, S, Ding, J. | Deposit date: | 2008-07-04 | Release date: | 2009-03-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure of the ARL2-GTP-BART complex reveals a novel recognition and binding mode of small GTPase with effector Structure, 17, 2009
|
|
3DSF
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 3dsf by Molmil](/molmil-images/mine/3dsf) | Crystal structure of anti-osteopontin antibody 23C3 in complex with W43A mutated epitope peptide | Descriptor: | Fab fragment of anti-osteopontin antibody 23C3, Heavy chain, Light chain, ... | Authors: | Du, J, Zhong, C, Yang, H, Ding, J. | Deposit date: | 2008-07-12 | Release date: | 2008-10-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Molecular basis of recognition of human osteopontin by 23C3, a potential therapeutic antibody for treatment of rheumatoid arthritis J.Mol.Biol., 382, 2008
|
|
7LW1
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7lw1 by Molmil](/molmil-images/mine/7lw1) | Human phosphofructokinase-1 liver type bound to activator NA-11 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 6-O-phosphono-beta-D-fructofuranose, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Lynch, E.M, Kollman, J.M, Webb, B. | Deposit date: | 2021-02-27 | Release date: | 2022-01-26 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Selective activation of PFKL suppresses the phagocytic oxidative burst. Cell, 184, 2021
|
|
4GS6
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4gs6 by Molmil](/molmil-images/mine/4gs6) | Irreversible Inhibition of TAK1 Kinase by 5Z-7-Oxozeaenol | Descriptor: | (3S,5Z,8S,9S,11E)-8,9,16-trihydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, 1,2-ETHANEDIOL, Tak1-Tab1 fusion protein | Authors: | Larsen, N.A, Ferguson, A.D, Wu, J. | Deposit date: | 2012-08-27 | Release date: | 2013-01-23 | Last modified: | 2017-08-02 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mechanism and In Vitro Pharmacology of TAK1 Inhibition by (5Z)-7-Oxozeaenol. Acs Chem.Biol., 8, 2013
|
|
3PYY
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 3pyy by Molmil](/molmil-images/mine/3pyy) | Discovery and Characterization of a Cell-Permeable, Small-molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site | Descriptor: | (5R)-5-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]imidazolidine-2,4-dione, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, ... | Authors: | Yang, J, Campobasso, N, Biju, M.P, Fisher, K, Pan, X.Q, Cottom, J, Galbraith, S, Ho, T, Zhang, H, Hong, X, Ward, P, Hofmann, G, Siegfried, B. | Deposit date: | 2010-12-13 | Release date: | 2011-03-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery and Characterization of a Cell-Permeable, Small-Molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site. Chem.Biol., 18, 2011
|
|
5WQA
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5wqa by Molmil](/molmil-images/mine/5wqa) | Crystal structure of PDE4D catalytic domain complexed with Selaginpulvilins K | Descriptor: | 1-[2-(4-hydroxyphenyl)ethynyl]-9,9-bis(4-methoxyphenyl)-7-oxidanyl-fluorene-2-carbaldehyde, MAGNESIUM ION, ZINC ION, ... | Authors: | Huang, Y, Zhang, T, Zheng, X, Yin, S, Luo, H.B. | Deposit date: | 2016-11-24 | Release date: | 2017-02-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The discovery, complex crystal structure, and recognition mechanism of a novel natural PDE4 inhibitor from Selaginella pulvinata Biochem. Pharmacol., 130, 2017
|
|
6NPU
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6npu by Molmil](/molmil-images/mine/6npu) | |
6NPV
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6npv by Molmil](/molmil-images/mine/6npv) | |
6NPE
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6npe by Molmil](/molmil-images/mine/6npe) | C-abl Kinase domain with the activator(cmpd6), 2-cyano-N-(4-(3,4-dichlorophenyl)thiazol-2-yl)acetamide | Descriptor: | 2-cyano-~{N}-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethanamide, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, NONAETHYLENE GLYCOL, ... | Authors: | campobasso, N. | Deposit date: | 2019-01-17 | Release date: | 2019-03-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies. J. Med. Chem., 62, 2019
|
|