3MNG
![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 3mng by Molmil](/molmil-images/mine/3mng) | wild type human PrxV with DTT bound as a competitive inhibitor | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, BROMIDE ION, GLYCEROL, ... | Authors: | Hall, A, Karplus, P.A. | Deposit date: | 2010-04-21 | Release date: | 2010-08-04 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural Evidence that Peroxiredoxin Catalytic Power Is Based on Transition-State Stabilization. J.Mol.Biol., 402, 2010
|
|
3HVX
![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 3hvx by Molmil](/molmil-images/mine/3hvx) | |
3I43
![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 3i43 by Molmil](/molmil-images/mine/3i43) | |
3HVS
![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 3hvs by Molmil](/molmil-images/mine/3hvs) | |
3HVV
![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 3hvv by Molmil](/molmil-images/mine/3hvv) | |
7UP5
![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 7up5 by Molmil](/molmil-images/mine/7up5) | Crystal structure of C-terminal Domain of MSK1 in complex with covalently bound pyrrolopyrimidine compound 23 (co-crystal) | Descriptor: | (2M)-6-chloro-2-(5H-pyrrolo[3,2-d]pyrimidin-5-yl)pyridine-3-carbonitrile, IODIDE ION, Ribosomal protein S6 kinase alpha-5 | Authors: | Yano, J.K, Edwards, T.E, Hall, A. | Deposit date: | 2022-04-14 | Release date: | 2022-07-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1. Acs Med.Chem.Lett., 13, 2022
|
|
7UP7
![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 7up7 by Molmil](/molmil-images/mine/7up7) | Crystal structure of C-terminal Domain of MSK1 in complex with covalently bound with literature RSK2 inhibitor indazole cyanoacrylamide compound 26 (soak) | Descriptor: | (2S)-2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]propanamide, Ribosomal protein S6 kinase alpha-5 | Authors: | Yano, J.K, Abendroth, J, Hall, A. | Deposit date: | 2022-04-14 | Release date: | 2022-07-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1. Acs Med.Chem.Lett., 13, 2022
|
|
7UP8
![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 7up8 by Molmil](/molmil-images/mine/7up8) | |
7UP4
![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 7up4 by Molmil](/molmil-images/mine/7up4) | Crystal structure of C-terminal Domain of MSK1 in complex with covalently bound pyrrolopyrimidine compound 20 (co-crystal) | Descriptor: | (5M)-5-(2,5-dichloropyrimidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine, Ribosomal protein S6 kinase alpha-5 | Authors: | Yano, J.K, Abendroth, J, Hall, A. | Deposit date: | 2022-04-14 | Release date: | 2022-07-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1. Acs Med.Chem.Lett., 13, 2022
|
|
7UP6
![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 7up6 by Molmil](/molmil-images/mine/7up6) | Crystal structure of C-terminal domain of MSK1 in complex with in covalently bound literature RSK2 inhibitor pyrrolopyrimidine cyanoacrylamide compound 25 (co-crystal) | Descriptor: | (E)-3-(3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)-2-cyanoacrylamide bound form, OXAMIC ACID, Ribosomal protein S6 kinase alpha-5 | Authors: | Yano, J.K, Abendroth, J, Hall, A. | Deposit date: | 2022-04-14 | Release date: | 2022-08-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1. Acs Med.Chem.Lett., 13, 2022
|
|
6G96
![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 6g96 by Molmil](/molmil-images/mine/6g96) | Crystal structure of TacT3 (tRNA acetylating toxin) from Salmonella | Descriptor: | ACETYL COENZYME *A, Acetyltransferase, BICINE, ... | Authors: | Grabe, G.J, Rycroft, J.A, Gollan, B, Hall, A, Cheverton, A.M, Larrouy-Maumus, G, Hare, S.A, Helaine, S. | Deposit date: | 2018-04-10 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4766078 Å) | Cite: | Activity of acetyltransferase toxins involved in Salmonella persister formation during macrophage infection. Nat Commun, 9, 2018
|
|
3EMP
![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 3emp by Molmil](/molmil-images/mine/3emp) | |
5VWA
![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 5vwa by Molmil](/molmil-images/mine/5vwa) | Y316F mutant of corn root ferredoxin:NADP+ reductase | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase, MAGNESIUM ION | Authors: | Kean, K.M, Carpenter, R.A, Hall, A.R, Karplus, P.A. | Deposit date: | 2017-05-21 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | High-resolution studies of hydride transfer in the ferredoxin:NADP(+) reductase superfamily. FEBS J., 284, 2017
|
|
5VW2
![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 5vw2 by Molmil](/molmil-images/mine/5vw2) | NADPH soak of Y316S mutant of corn root ferredoxin:NADP+ reductase | Descriptor: | ACETATE ION, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase, ... | Authors: | Kean, K.M, Carpenter, R.A, Hall, A.R, Karplus, P.A. | Deposit date: | 2017-05-21 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.451 Å) | Cite: | High-resolution studies of hydride transfer in the ferredoxin:NADP(+) reductase superfamily. FEBS J., 284, 2017
|
|
5VW3
![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 5vw3 by Molmil](/molmil-images/mine/5vw3) | NADP+ soak of Y316S mutant of corn root ferredoxin:NADP+ reductase | Descriptor: | ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase, ... | Authors: | Kean, K.M, Carpenter, R.A, Hall, A.R, Karplus, P.A. | Deposit date: | 2017-05-21 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.453 Å) | Cite: | High-resolution studies of hydride transfer in the ferredoxin:NADP(+) reductase superfamily. FEBS J., 284, 2017
|
|
5VW9
![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 5vw9 by Molmil](/molmil-images/mine/5vw9) | Nicotinamide soak of Y316S mutant of corn root ferredoxin:NADP+ reductase in alternate space group | Descriptor: | ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase, ... | Authors: | Kean, K.M, Carpenter, R.A, Hall, A.R, Karplus, P.A. | Deposit date: | 2017-05-21 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.894 Å) | Cite: | High-resolution studies of hydride transfer in the ferredoxin:NADP(+) reductase superfamily. FEBS J., 284, 2017
|
|
5VW7
![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 5vw7 by Molmil](/molmil-images/mine/5vw7) | NADPH soak of Y316A mutant of corn root ferredoxin:NADP+ reductase | Descriptor: | ACETATE ION, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase, ... | Authors: | Kean, K.M, Carpenter, R.A, Hall, A.R, Karplus, P.A. | Deposit date: | 2017-05-21 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.608 Å) | Cite: | High-resolution studies of hydride transfer in the ferredoxin:NADP(+) reductase superfamily. FEBS J., 284, 2017
|
|
5VW6
![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 5vw6 by Molmil](/molmil-images/mine/5vw6) | NADP+ soak of Y316A mutant of corn root ferredoxin:NADP+ reductase | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase, MAGNESIUM ION, ... | Authors: | Kean, K.M, Carpenter, R.A, Hall, A.R, Karplus, P.A. | Deposit date: | 2017-05-21 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | High-resolution studies of hydride transfer in the ferredoxin:NADP(+) reductase superfamily. FEBS J., 284, 2017
|
|
5VW4
![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 5vw4 by Molmil](/molmil-images/mine/5vw4) | Nicotinamide soak of Y316S mutant of corn root ferredoxin:NADP+ reductase | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase, MAGNESIUM ION, ... | Authors: | Kean, K.M, Carpenter, R.A, Hall, A.R, Karplus, P.A. | Deposit date: | 2017-05-21 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.351 Å) | Cite: | High-resolution studies of hydride transfer in the ferredoxin:NADP(+) reductase superfamily. FEBS J., 284, 2017
|
|
5VW5
![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 5vw5 by Molmil](/molmil-images/mine/5vw5) | Nicotinamide soak of Y316A mutant of corn root ferredoxin:NADP+ reductase | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase, MAGNESIUM ION, ... | Authors: | Kean, K.M, Carpenter, R.A, Hall, A.R, Karplus, P.A. | Deposit date: | 2017-05-21 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.953 Å) | Cite: | High-resolution studies of hydride transfer in the ferredoxin:NADP(+) reductase superfamily. FEBS J., 284, 2017
|
|
5VWB
![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 5vwb by Molmil](/molmil-images/mine/5vwb) | Y316F mutant of corn root ferredoxin:NADP+ reductase in alternate space group | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase, MAGNESIUM ION, ... | Authors: | Kean, K.M, Carpenter, R.A, Hall, A.R, Karplus, P.A. | Deposit date: | 2017-05-21 | Release date: | 2017-08-23 | Last modified: | 2019-11-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | High-resolution studies of hydride transfer in the ferredoxin:NADP(+) reductase superfamily. FEBS J., 284, 2017
|
|
5VW8
![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 5vw8 by Molmil](/molmil-images/mine/5vw8) | NADP+ soak of Y316S mutant of corn root ferredoxin:NADP+ reductase in alternate space group | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase, MAGNESIUM ION, ... | Authors: | Kean, K.M, Carpenter, R.A, Hall, A.R, Karplus, P.A. | Deposit date: | 2017-05-21 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.808 Å) | Cite: | High-resolution studies of hydride transfer in the ferredoxin:NADP(+) reductase superfamily. FEBS J., 284, 2017
|
|