3U6J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3u6j by Molmil](/molmil-images/mine/3u6j) | Crystal structure of the VEGFR2 kinase domain in complex with a pyrazolone inhibitor | Descriptor: | N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide, Vascular endothelial growth factor receptor 2 | Authors: | Whittington, D.A, Long, A, Rose, P, Gu, Y, Zhao, H. | Deposit date: | 2011-10-12 | Release date: | 2012-02-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure-based design of novel class II c-Met inhibitors: 1. Identification of pyrazolone-based derivatives. J.Med.Chem., 55, 2012
|
|
2GMX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2gmx by Molmil](/molmil-images/mine/2gmx) | Selective Aminopyridine-Based C-Jun N-terminal Kinase inhibitors with cellular activity | Descriptor: | C-jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 8, N-(4-AMINO-5-CYANO-6-ETHOXYPYRIDIN-2-YL)-2-(4-BROMO-2,5-DIMETHOXYPHENYL)ACETAMIDE, ... | Authors: | Abad-Zapatero, C. | Deposit date: | 2006-04-07 | Release date: | 2006-06-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Aminopyridine-Based c-Jun N-Terminal Kinase Inhibitors with Cellular Activity and Minimal Cross-Kinase Activity. J.Med.Chem., 49, 2006
|
|
7WEU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7weu by Molmil](/molmil-images/mine/7weu) | |
7WET
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wet by Molmil](/molmil-images/mine/7wet) | Crystal structure of Peroxiredoxin I in complex with the inhibitor Cela | Descriptor: | (2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid, Peroxiredoxin-1 | Authors: | Zhang, H, Luo, C. | Deposit date: | 2021-12-24 | Release date: | 2022-12-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Celastrol suppresses colorectal cancer via covalent targeting peroxiredoxin 1. Signal Transduct Target Ther, 8, 2023
|
|
8G92
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8g92 by Molmil](/molmil-images/mine/8g92) | Structure of inhibitor 16d-bound SPNS2 | Descriptor: | 3-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine, Sphingosine-1-phosphate transporter SPNS2 | Authors: | Chen, H, Li, X. | Deposit date: | 2023-02-21 | Release date: | 2023-05-24 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural and functional insights into Spns2-mediated transport of sphingosine-1-phosphate. Cell, 186, 2023
|
|
5YIS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yis by Molmil](/molmil-images/mine/5yis) | Crystal Structure of AnkB LIR/LC3B complex | Descriptor: | Ankyrin-2, GLYCEROL, Microtubule-associated proteins 1A/1B light chain 3B, ... | Authors: | Li, J, Zhu, R, Chen, K, Zheng, H, Yuan, C, Zhang, H, Wang, C, Zhang, M. | Deposit date: | 2017-10-06 | Release date: | 2018-05-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Potent and specific Atg8-targeting autophagy inhibitory peptides from giant ankyrins. Nat. Chem. Biol., 14, 2018
|
|
5YIR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yir by Molmil](/molmil-images/mine/5yir) | Crystal Structure of AnkB LIR/GABARAP complex | Descriptor: | Ankyrin-2, Gamma-aminobutyric acid receptor-associated protein, NICKEL (II) ION | Authors: | Li, J, Zhu, R, Chen, K, Zheng, H, Yuan, C, Zhang, H, Wang, C, Zhang, M. | Deposit date: | 2017-10-06 | Release date: | 2018-05-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Potent and specific Atg8-targeting autophagy inhibitory peptides from giant ankyrins. Nat. Chem. Biol., 14, 2018
|
|
5YIQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yiq by Molmil](/molmil-images/mine/5yiq) | Crystal structure of AnkG LIR/LC3B complex | Descriptor: | Ankyrin-3, Microtubule-associated proteins 1A/1B light chain 3B, ZINC ION | Authors: | Li, J, Zhu, R, Chen, K, Zheng, H, Yuan, C, Zhang, H, Wang, C, Zhang, M. | Deposit date: | 2017-10-06 | Release date: | 2018-05-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Potent and specific Atg8-targeting autophagy inhibitory peptides from giant ankyrins. Nat. Chem. Biol., 14, 2018
|
|
5YIP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yip by Molmil](/molmil-images/mine/5yip) | Crystal Structure of AnkG LIR/GABARAPL1 complex | Descriptor: | Ankyrin-3, GLYCEROL, Gamma-aminobutyric acid receptor-associated protein-like 1 | Authors: | Li, J, Zhu, R, Chen, K, Zheng, H, Yuan, C, Zhang, H, Wang, C, Zhang, M. | Deposit date: | 2017-10-06 | Release date: | 2018-05-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Potent and specific Atg8-targeting autophagy inhibitory peptides from giant ankyrins. Nat. Chem. Biol., 14, 2018
|
|
8J5Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8j5z by Molmil](/molmil-images/mine/8j5z) | The cryo-EM structure of the TwOSC1 tetramer | Descriptor: | Terpene cyclase/mutase family member, octyl beta-D-glucopyranoside | Authors: | Ma, X, Yuru, T, Yunfeng, L, Jiang, T. | Deposit date: | 2023-04-24 | Release date: | 2023-11-01 | Last modified: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (4.75 Å) | Cite: | Structural and Catalytic Insight into the Unique Pentacyclic Triterpene Synthase TwOSC. Angew.Chem.Int.Ed.Engl., 62, 2023
|
|
5GS4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gs4 by Molmil](/molmil-images/mine/5gs4) | Crystal structure of estrogen receptor alpha in complex with a stabilized peptide antagonist | Descriptor: | ARG-IAS-ILE-LEU-DNP-ARG-LEU-LEU-GLN, ESTRADIOL, Estrogen receptor, ... | Authors: | Xie, M, Wang, T, Li, Z.-G. | Deposit date: | 2016-08-13 | Release date: | 2017-08-30 | Last modified: | 2018-07-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis of Inhibition of ER alpha-Coactivator Interaction by High-Affinity N-Terminus Isoaspartic Acid Tethered Helical Peptides J. Med. Chem., 60, 2017
|
|
3B8Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3b8q by Molmil](/molmil-images/mine/3b8q) | Crystal structure of the VEGFR2 kinase domain in complex with a naphthamide inhibitor | Descriptor: | N-(4-chlorophenyl)-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide, Vascular endothelial growth factor receptor 2 | Authors: | Whittington, D.A, Long, A.M, Gu, Y, Zhao, H. | Deposit date: | 2007-11-01 | Release date: | 2008-04-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Naphthamides as Novel and Potent Vascular Endothelial Growth Factor
Receptor Tyrosine Kinase Inhibitors: Design, Synthesis and Evaluation J.Med.Chem., 51, 2008
|
|
5GTR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gtr by Molmil](/molmil-images/mine/5gtr) | |
3BE2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3be2 by Molmil](/molmil-images/mine/3be2) | Crystal structure of the VEGFR2 kinase domain in complex with a benzamide inhibitor | Descriptor: | N-{3-[3-(DIMETHYLAMINO)PROPYL]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE, Vascular endothelial growth factor receptor 2 | Authors: | Whittington, D.A, Kim, J.L, Long, A.M, Gu, Y, Rose, P, Zhao, H. | Deposit date: | 2007-11-16 | Release date: | 2008-04-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Naphthamides as novel and potent vascular endothelial growth factor receptor tyrosine kinase inhibitors: design, synthesis, and evaluation. J.Med.Chem., 51, 2008
|
|
3B8R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3b8r by Molmil](/molmil-images/mine/3b8r) | Crystal structure of the VEGFR2 kinase domain in complex with a naphthamide inhibitor | Descriptor: | 1,2-ETHANEDIOL, N-cyclopropyl-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide, Vascular endothelial growth factor receptor 2 | Authors: | Whittington, D.A, Long, A.M, Gu, Y, Zhao, H. | Deposit date: | 2007-11-01 | Release date: | 2008-04-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Evaluation of a Series of Naphthamides as Potent, Orally Active Vascular
Endothelial Growth Factor Receptor-2 Tyrosine Kinase Inhibitors J.Med.Chem., 51, 2008
|
|
3CPC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3cpc by Molmil](/molmil-images/mine/3cpc) | Crystal structure of the VEGFR2 kinase domain in complex with a pyridone inhibitor | Descriptor: | 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1H)-one, Vascular endothelial growth factor receptor 2 | Authors: | Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H. | Deposit date: | 2008-03-31 | Release date: | 2008-06-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of Aryl Aminoquinazoline Pyridones as Potent, Selective, and Orally Efficacious Inhibitors of Receptor Tyrosine Kinase c-Kit. J.Med.Chem., 51, 2008
|
|
5XS5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xs5 by Molmil](/molmil-images/mine/5xs5) | Structure of Coxsackievirus A6 (CVA6) virus procapsid particle | Descriptor: | Genome polyprotein | Authors: | Zheng, Q.B, He, M.Z, Xu, L.F, Yu, H, Cheng, T, Li, S.W. | Deposit date: | 2017-06-12 | Release date: | 2017-09-27 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Atomic structures of Coxsackievirus A6 and its complex with a neutralizing antibody Nat Commun, 8, 2017
|
|
4JND
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jnd by Molmil](/molmil-images/mine/4jnd) | Structure of a C.elegans sex determining protein | Descriptor: | Ca(2+)/calmodulin-dependent protein kinase phosphatase, MAGNESIUM ION | Authors: | Feng, Y, Zhang, Y, Ge, J, Yang, M. | Deposit date: | 2013-03-15 | Release date: | 2013-06-19 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.652 Å) | Cite: | Structural insight into Caenorhabditis elegans sex-determining protein FEM-2. J.Biol.Chem., 288, 2013
|
|
5XS4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xs4 by Molmil](/molmil-images/mine/5xs4) | Structure of Coxsackievirus A6 (CVA6) virus A-particle | Descriptor: | Genome polyprotein | Authors: | Zheng, Q.B, He, M.Z, Xu, L.F, Yu, H, Li, S.W, Cheng, T. | Deposit date: | 2017-06-12 | Release date: | 2017-09-27 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Atomic structures of Coxsackievirus A6 and its complex with a neutralizing antibody Nat Commun, 8, 2017
|
|
4K4A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k4a by Molmil](/molmil-images/mine/4k4a) | X-ray crystal structure of E. coli YdiI complexed with phenacyl-CoA | Descriptor: | Esterase YdiI, phenacyl coenzyme A | Authors: | Ru, W, Farelli, J.D, Dunaway-Mariano, D, Allen, K.N. | Deposit date: | 2013-04-12 | Release date: | 2014-07-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structure and Catalysis in the Escherichia coli Hotdog-fold Thioesterase Paralogs YdiI and YbdB. Biochemistry, 53, 2014
|
|
4K4D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k4d by Molmil](/molmil-images/mine/4k4d) | X-ray crystal structure of E. coli YbdB complexed with 2,4-dihydroxyphenacyl-CoA | Descriptor: | 2,4-dihydroxyphenacyl coenzyme A, ACETATE ION, MALONATE ION, ... | Authors: | Ru, W, Farelli, J.D, Dunaway-Mariano, D, Allen, K.N. | Deposit date: | 2013-04-12 | Release date: | 2014-07-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Structure and Catalysis in the Escherichia coli Hotdog-fold Thioesterase Paralogs YdiI and YbdB. Biochemistry, 53, 2014
|
|
4K4B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k4b by Molmil](/molmil-images/mine/4k4b) | X-ray crystal structure of E. coli YdiI complexed with undeca-2-one-CoA | Descriptor: | CHLORIDE ION, Esterase YdiI, undeca-2-one coenzyme A | Authors: | Ru, W, Farelli, J.D, Dunaway-Mariano, D, Allen, K.N. | Deposit date: | 2013-04-12 | Release date: | 2014-07-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure and Catalysis in the Escherichia coli Hotdog-fold Thioesterase Paralogs YdiI and YbdB. Biochemistry, 53, 2014
|
|
5XS7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xs7 by Molmil](/molmil-images/mine/5xs7) | Structure of Coxsackievirus A6 (CVA6) virus A-particle in complex with the neutralizing antibody fragment 1D5 | Descriptor: | Genome polyprotein, Heavy chain of Fab 1D5, Light chain of Fab 1D5 | Authors: | Zheng, Q.B, He, M.Z, Xu, L.F, Yu, H, Li, S.W, Cheng, T. | Deposit date: | 2017-06-12 | Release date: | 2017-09-27 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Atomic structures of Coxsackievirus A6 and its complex with a neutralizing antibody Nat Commun, 8, 2017
|
|
7XKE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xke by Molmil](/molmil-images/mine/7xke) | Cryo-EM structure of DHEA-ADGRG2-FL-Gs complex | Descriptor: | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE, Adhesion G-protein coupled receptor G2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Guo, S.C, Xiao, P, Lin, H, Sun, J.P, Yu, X. | Deposit date: | 2022-04-19 | Release date: | 2022-08-10 | Last modified: | 2023-03-15 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structures of the ADGRG2-G s complex in apo and ligand-bound forms. Nat.Chem.Biol., 18, 2022
|
|
7XKF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xkf by Molmil](/molmil-images/mine/7xkf) | Cryo-EM structure of DHEA-ADGRG2-BT-Gs complex at lower state | Descriptor: | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE, Adhesion G-protein coupled receptor G2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Guo, S.C, Xiao, P, Lin, H, Sun, J.P, Yu, X. | Deposit date: | 2022-04-19 | Release date: | 2022-08-10 | Last modified: | 2023-03-15 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Structures of the ADGRG2-G s complex in apo and ligand-bound forms. Nat.Chem.Biol., 18, 2022
|
|