6E6V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6e6v by Molmil](/molmil-images/mine/6e6v) | The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-6-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid | Descriptor: | 1,2-ETHANEDIOL, 3-hydroxy-6-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, ... | Authors: | Dick, B.L, Morrison, C.N, Credille, C.V, Cohen, S.M. | Deposit date: | 2018-07-25 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease. J.Med.Chem., 62, 2019
|
|
6E6W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6e6w by Molmil](/molmil-images/mine/6e6w) | The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-6-(2-methyl-4-(1H-tetrazol-5-yl)phenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid | Descriptor: | 3-hydroxy-6-[2-methyl-4-(1H-tetrazol-5-yl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein | Authors: | Dick, B.L, Morrison, C.N, Credille, C.V, Cohen, S.M. | Deposit date: | 2018-07-25 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease. J.Med.Chem., 62, 2019
|
|
6E6X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6e6x by Molmil](/molmil-images/mine/6e6x) | The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 1-(4-(1H-tetrazol-5-yl)phenyl)-5-hydroxy-2-methylpyridin-4(1H)-one | Descriptor: | 1,2-ETHANEDIOL, 5-hydroxy-2-methyl-1-[4-(1H-tetrazol-5-yl)phenyl]pyridin-4(1H)-one, MANGANESE (II) ION, ... | Authors: | Dick, B.L, Morrison, C.N, Credille, C.V, Cohen, S.M. | Deposit date: | 2018-07-25 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease. J.Med.Chem., 62, 2019
|
|
5TH4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5th4 by Molmil](/molmil-images/mine/5th4) | |
6DCZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dcz by Molmil](/molmil-images/mine/6dcz) | |
6DCY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dcy by Molmil](/molmil-images/mine/6dcy) | |
5TI0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ti0 by Molmil](/molmil-images/mine/5ti0) | Crystal Structure of 2-Hydroxycyclohepta-2,4,6-triene-1-thione bound to human carbonic anhydrase 2 L198G | Descriptor: | 2-hydroxycyclohepta-2,4,6-triene-1-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Dick, B, Cohen, S. | Deposit date: | 2016-09-30 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Effect of donor atom identity on metal-binding pharmacophore coordination. J. Biol. Inorg. Chem., 22, 2017
|
|
5THJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5thj by Molmil](/molmil-images/mine/5thj) | Crystal Structure of 2-hydroxycyclohepta-2,4,6-trien-1-one bound to human carbonic anhydrase 2 | Descriptor: | 2-HYDROXYCYCLOHEPTA-2,4,6-TRIEN-1-ONE, CITRIC ACID, Carbonic anhydrase 2, ... | Authors: | Dick, B, Cohen, S. | Deposit date: | 2016-09-29 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Effect of donor atom identity on metal-binding pharmacophore coordination. J. Biol. Inorg. Chem., 22, 2017
|
|
5THI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5thi by Molmil](/molmil-images/mine/5thi) | Crystal Structure of 2-hydroxycyclohepta-2,4,6-trien-1-one bound to human carbonic anhydrase 2 L198G | Descriptor: | 2-HYDROXYCYCLOHEPTA-2,4,6-TRIEN-1-ONE, CITRIC ACID, Carbonic anhydrase 2, ... | Authors: | Dick, B, Cohen, S. | Deposit date: | 2016-09-29 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Effect of donor atom identity on metal-binding pharmacophore coordination. J. Biol. Inorg. Chem., 22, 2017
|
|
5THN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5thn by Molmil](/molmil-images/mine/5thn) | Crystal Structure of 2-Hydroxycyclohepta-2,4,6-triene-1-thione bound to human carbonic anhydrase 2 | Descriptor: | 2-hydroxycyclohepta-2,4,6-triene-1-thione, CITRIC ACID, Carbonic anhydrase 2, ... | Authors: | Dick, B, Cohen, S. | Deposit date: | 2016-09-29 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Effect of donor atom identity on metal-binding pharmacophore coordination. J. Biol. Inorg. Chem., 22, 2017
|
|
7V04
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7v04 by Molmil](/molmil-images/mine/7v04) | The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxamide | Descriptor: | 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxamide, MANGANESE (II) ION, Polymerase acidic protein | Authors: | Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M. | Deposit date: | 2022-05-09 | Release date: | 2022-12-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors. Acs Med.Chem.Lett., 14, 2023
|
|
4Q7W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4q7w by Molmil](/molmil-images/mine/4q7w) | |
4Q90
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4q90 by Molmil](/molmil-images/mine/4q90) | |
4Q7P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4q7p by Molmil](/molmil-images/mine/4q7p) | |
4Q87
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4q87 by Molmil](/molmil-images/mine/4q87) | |
4Q7V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4q7v by Molmil](/molmil-images/mine/4q7v) | |
4Q8X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4q8x by Molmil](/molmil-images/mine/4q8x) | |
4Q99
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4q99 by Molmil](/molmil-images/mine/4q99) | |
4Q81
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4q81 by Molmil](/molmil-images/mine/4q81) | Crystal structure of 1-hydroxy-4,6-dimethylpyridine-2(1H)-thione bound to human carbonic anhydrase II | Descriptor: | 1-hydroxy-4,6-dimethylpyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Martin, D.P, Cohen, S.M. | Deposit date: | 2014-04-25 | Release date: | 2015-03-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Exploring the influence of the protein environment on metal-binding pharmacophores. J.Med.Chem., 57, 2014
|
|
4Q9Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4q9y by Molmil](/molmil-images/mine/4q9y) | |
4Q8Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4q8y by Molmil](/molmil-images/mine/4q8y) | |
4Q83
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4q83 by Molmil](/molmil-images/mine/4q83) | |
4Q7S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4q7s by Molmil](/molmil-images/mine/4q7s) | |
4Q8Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4q8z by Molmil](/molmil-images/mine/4q8z) | |
1TAF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1taf by Molmil](/molmil-images/mine/1taf) | DROSOPHILA TBP ASSOCIATED FACTORS DTAFII42/DTAFII62 HETEROTETRAMER | Descriptor: | TFIID TBP ASSOCIATED FACTOR 42, TFIID TBP ASSOCIATED FACTOR 62, ZINC ION | Authors: | Xie, X, Kokubo, T, Cohen, S.L, Mirza, U.A, Hoffmann, A, Chait, B.T, Roeder, R.G, Nakatani, Y, Burley, S.K. | Deposit date: | 1996-06-01 | Release date: | 1996-12-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural similarity between TAFs and the heterotetrameric core of the histone octamer. Nature, 380, 1996
|
|