2H52
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2h52 by Molmil](/molmil-images/mine/2h52) | |
4JFJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jfj by Molmil](/molmil-images/mine/4jfj) | Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational Control: Complex of FKBP51 with compound (1S,6R)-10-(1,3-benzothiazol-6-ylsulfonyl)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one | Descriptor: | (1S,6R)-10-(1,3-benzothiazol-6-ylsulfonyl)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Wang, Y, Kirschner, A, Fabian, A, Gopalakrishnan, R, Kress, C, Hoogeland, B, Koch, U, Kozany, C, Bracher, A, Hausch, F. | Deposit date: | 2013-02-28 | Release date: | 2013-08-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control. J.Med.Chem., 56, 2013
|
|
4K2C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k2c by Molmil](/molmil-images/mine/4k2c) | HSA Ligand Free | Descriptor: | Serum albumin | Authors: | Wang, Y, Luo, Z, Shi, X, Huang, M. | Deposit date: | 2013-04-08 | Release date: | 2013-05-01 | Last modified: | 2018-02-21 | Method: | X-RAY DIFFRACTION (3.23 Å) | Cite: | Structural mechanism of ring-opening reaction of glucose by human serum albumin. J. Biol. Chem., 288, 2013
|
|
2HI5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2hi5 by Molmil](/molmil-images/mine/2hi5) | Model for bacteriophage fd from cryo-EM | Descriptor: | Coat protein B | Authors: | Wang, Y.A, Yu, X, Overman, S, Tsuboi, M, Thomas, G.J, Egelman, E.H. | Deposit date: | 2006-06-29 | Release date: | 2007-08-07 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (8 Å) | Cite: | The Structure of a Filamentous Bacteriophage J.Mol.Biol., 361, 2006
|
|
2I0J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2i0j by Molmil](/molmil-images/mine/2i0j) | Benzopyrans are Selective Estrogen Receptor beta Agonists (SERBAs) with Novel Activity in Models of Benign Prostatic Hyperplasia | Descriptor: | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL, Estrogen receptor alpha | Authors: | Wang, Y. | Deposit date: | 2006-08-10 | Release date: | 2006-10-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Benzopyrans are selective estrogen receptor Beta agonists with novel activity in models of benign prostatic hyperplasia. J.Med.Chem., 49, 2006
|
|
4PFC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pfc by Molmil](/molmil-images/mine/4pfc) | Crystal structure of insulin degrading enzyme complexed with inhibitor | Descriptor: | Insulin-degrading enzyme, ZINC ION, methyl [(2S)-2-(5-{5-[4-({(2S)-2-[(3S)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl}amino)phenyl]pentyl}-2-fluorophenyl)-3-(quinolin-3-yl)propyl]carbamate | Authors: | Wang, Y, Guo, S. | Deposit date: | 2014-04-28 | Release date: | 2015-06-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Dual Exosite-binding Inhibitors of Insulin-degrading Enzyme Challenge Its Role as the Primary Mediator of Insulin Clearance in Vivo. J.Biol.Chem., 290, 2015
|
|
4PF9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pf9 by Molmil](/molmil-images/mine/4pf9) | Crystal structure of insulin degrading enzyme complexed with inhibitor | Descriptor: | Insulin-degrading enzyme, ZINC ION, methyl [(2S)-2-[4-({5-[4-({(2S)-2-[(3S)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl}amino)phenyl]pentyl}oxy)phenyl]-3-(quinolin-3-yl)propyl]carbamate | Authors: | Wang, Y, Guo, S. | Deposit date: | 2014-04-28 | Release date: | 2015-06-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Dual Exosite-binding Inhibitors of Insulin-degrading Enzyme Challenge Its Role as the Primary Mediator of Insulin Clearance in Vivo. J.Biol.Chem., 290, 2015
|
|
6KZD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6kzd by Molmil](/molmil-images/mine/6kzd) | Crystal structure of TRKc in complex with 3-((6-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl)ethynyl)- N-(3-isopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-2- methylbenzamide | Descriptor: | 3-[2-[6-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl]ethynyl]-2-methyl-~{N}-[3-(4-methylpiperazin-1-yl)-5-propan-2-yl-phenyl]benzamide, NT-3 growth factor receptor, PHOSPHATE ION | Authors: | Wang, Y, Zhang, Z.M. | Deposit date: | 2019-09-23 | Release date: | 2019-10-09 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.708 Å) | Cite: | Design, synthesis and biological evaluation of 3-(imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methylbenzamides as potent and selective pan-tropomyosin receptor kinase (TRK) inhibitors. Eur.J.Med.Chem., 179, 2019
|
|
4PF7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pf7 by Molmil](/molmil-images/mine/4pf7) | Crystal structure of insulin degrading enzyme complexed with inhibitor | Descriptor: | (2S)-2-amino-N-{(1S)-1-cyclohexyl-2-[(4-methylphenyl)amino]-2-oxoethyl}-4-(methylselanyl)butanamide, Insulin-degrading enzyme, ZINC ION | Authors: | Wang, Y, Guo, S. | Deposit date: | 2014-04-28 | Release date: | 2015-06-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Dual Exosite-binding Inhibitors of Insulin-degrading Enzyme Challenge Its Role as the Primary Mediator of Insulin Clearance in Vivo. J.Biol.Chem., 290, 2015
|
|
7WO3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wo3 by Molmil](/molmil-images/mine/7wo3) | SARS-CoV-2 3CLpro | Descriptor: | (2S)-2-[[(2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]pentanamide, 3C-like proteinase | Authors: | Wang, Y, Ye, S. | Deposit date: | 2022-01-20 | Release date: | 2022-04-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Discovery of SARS-CoV-2 3CL Pro Peptidomimetic Inhibitors through the Catalytic Dyad Histidine-Specific Protein-Ligand Interactions. Int J Mol Sci, 23, 2022
|
|
6M5F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6m5f by Molmil](/molmil-images/mine/6m5f) | Crystal structure of HinK, a LysR family transcriptional regulator from Pseudomonas aeruginosa | Descriptor: | Probable transcriptional regulator | Authors: | Wang, Y, Lan, L, Cao, Q, Gan, J, Wang, F. | Deposit date: | 2020-03-10 | Release date: | 2021-03-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal structure of HinK, a LysR family transcriptional regulator from Pseudomonas aeruginosa To Be Published
|
|
7E0V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7e0v by Molmil](/molmil-images/mine/7e0v) | GDPD from Pyrococcus furiosus DSM 3638 | Descriptor: | Glycerophosphodiester phosphodiesterase | Authors: | Wang, Y.H, Wang, J, Wang, F.H. | Deposit date: | 2021-01-28 | Release date: | 2022-02-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of Bomgl, a monoacylglycerol lipase from marine Bacillus To Be Published
|
|
7K6B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7k6b by Molmil](/molmil-images/mine/7k6b) | |
7KRB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7krb by Molmil](/molmil-images/mine/7krb) | |
7WA8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wa8 by Molmil](/molmil-images/mine/7wa8) | Strigolactone receptors in Striga ShHTL7 | Descriptor: | Hyposensitive to light 7 | Authors: | Wang, Y, Yao, R. | Deposit date: | 2021-12-12 | Release date: | 2022-01-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Molecular basis for high ligand sensitivity and selectivity of strigolactone receptors in Striga. Plant Physiology, Volume 185, 2021
|
|
7WO2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wo2 by Molmil](/molmil-images/mine/7wo2) | SARS-CoV-2 3CLPro Peptidomimetic Inhibitor TPM5 | Descriptor: | 3C-like proteinase, N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3S}-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]furan-2-carboxamide | Authors: | Wang, Y, Ye, S. | Deposit date: | 2022-01-20 | Release date: | 2022-12-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Discovery of SARS-CoV-2 3CL Pro Peptidomimetic Inhibitors through the Catalytic Dyad Histidine-Specific Protein-Ligand Interactions. Int J Mol Sci, 23, 2022
|
|
4ESP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4esp by Molmil](/molmil-images/mine/4esp) | Crystal Structure of Peanut Allergen Ara h 5 | Descriptor: | 1,2-ETHANEDIOL, ISOPROPYL ALCOHOL, Profilin | Authors: | Wang, Y, Zhang, Y.Z. | Deposit date: | 2012-04-23 | Release date: | 2013-03-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Crystal Structure of Peanut ( Arachis hypogaea ) Allergen Ara h 5. J.Agric.Food Chem., 61, 2013
|
|
7W5E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7w5e by Molmil](/molmil-images/mine/7w5e) | Oxidase ChaP D49L mutant | Descriptor: | ChaP, FE (III) ION | Authors: | Wang, Y, Zheng, W, Meng, Z, Jin, Y, Zhu, J, Tan, R. | Deposit date: | 2021-11-30 | Release date: | 2022-10-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Alteration of the Catalytic Reaction Trajectory of a Vicinal Oxygen Chelate Enzyme by Directed Evolution. Angew.Chem.Int.Ed.Engl., 61, 2022
|
|
8ITT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8itt by Molmil](/molmil-images/mine/8itt) | |
4P6G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4p6g by Molmil](/molmil-images/mine/4p6g) | Crystal Structure of Human Cathepsin S Bound to a Non-covalent Inhibitor. | Descriptor: | (3R,4S)-4-[(4-fluorobenzoyl)amino]-6-[4-(oxetan-3-yl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl methylcarbamate, Cathepsin S | Authors: | Wang, Y, Jadhav, P.K. | Deposit date: | 2014-03-24 | Release date: | 2014-10-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Discovery of Cathepsin S Inhibitor LY3000328 for the Treatment of Abdominal Aortic Aneurysm. Acs Med.Chem.Lett., 5, 2014
|
|
3ST5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3st5 by Molmil](/molmil-images/mine/3st5) | Crystal structure of wild-type HIV-1 protease with C3-Substituted Hexahydrocyclopentafuranyl Urethane as P2-Ligand, GRL-0489A | Descriptor: | (3R,3aR,5R,6aR)-3-hydroxyhexahydro-2H-cyclopenta[b]furan-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, Protease | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | Deposit date: | 2011-07-08 | Release date: | 2011-08-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Design of HIV-1 Protease Inhibitors with C3-Substituted Hexahydrocyclopentafuranyl Urethanes as P2-Ligands: Synthesis, Biological Evaluation, and Protein-Ligand X-ray Crystal Structure. J.Med.Chem., 54, 2011
|
|
5XK2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xk2 by Molmil](/molmil-images/mine/5xk2) | |
4P6E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4p6e by Molmil](/molmil-images/mine/4p6e) | Crystal Structure of Human Cathepsin S Bound to a Non-covalent Inhibitor | Descriptor: | Cathepsin S, N-[(8R)-8-(benzoylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-methylpiperazine-1-carboxamide, SULFATE ION | Authors: | Wang, Y, Jadhav, P.K, Deng, G.G. | Deposit date: | 2014-03-24 | Release date: | 2014-10-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of Cathepsin S Inhibitor LY3000328 for the Treatment of Abdominal Aortic Aneurysm. Acs Med.Chem.Lett., 5, 2014
|
|
4PES
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pes by Molmil](/molmil-images/mine/4pes) | |
8K1P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8k1p by Molmil](/molmil-images/mine/8k1p) | mycobacterial efflux pump, ADP+vanadate bound state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, CARDIOLIPIN, ... | Authors: | Wang, Y, Wu, F, Zhang, L, Rao, Z. | Deposit date: | 2023-07-11 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | mycobacterial efflux pump, ADP+vanadate bound state To Be Published
|
|