5GJM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gjm by Molmil](/molmil-images/mine/5gjm) | |
7RPC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rpc by Molmil](/molmil-images/mine/7rpc) | X-ray crystal structure of OXA-24/40 K84D in complex with ertapenem | Descriptor: | (1S,4R,5S,6S)-3-{[(3S,5S)-5-carbamoylpyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, BICARBONATE ION, Beta-lactamase, ... | Authors: | Powers, R.A, Mitchell, J.M, June, C.M. | Deposit date: | 2021-08-03 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Conformational flexibility in carbapenem hydrolysis drives substrate specificity of the class D carbapenemase OXA-24/40. J.Biol.Chem., 298, 2022
|
|
7RRD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rrd by Molmil](/molmil-images/mine/7rrd) | IDO1 IN COMPLEX WITH COMPOUND S-1 | Descriptor: | 3-[4-(1H-benzimidazol-2-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide, Indoleamine 2,3-dioxygenase 1 | Authors: | Lesburg, C.A. | Deposit date: | 2021-08-09 | Release date: | 2022-08-24 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Oxetane promise delivered: discovery of long acting IDO1 inhibitors suitable for Q3W oral or parenteral dosing To Be Published
|
|
1VKZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1vkz by Molmil](/molmil-images/mine/1vkz) | |
1VJ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1vj1 by Molmil](/molmil-images/mine/1vj1) | |
1VLJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1vlj by Molmil](/molmil-images/mine/1vlj) | |
6DA4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6da4 by Molmil](/molmil-images/mine/6da4) | JAK3 with Cyanamide CP10 | Descriptor: | (Z)-1-{2,2-difluoro-6-[5-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,3-dihydro-4H-1,4-benzoxazin-4-yl}methanimine, Tyrosine-protein kinase JAK3 | Authors: | Vajdos, F.F. | Deposit date: | 2018-05-01 | Release date: | 2018-11-28 | Last modified: | 2019-05-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Identification of Cyanamide-Based Janus Kinase 3 (JAK3) Covalent Inhibitors. J. Med. Chem., 61, 2018
|
|
1VMH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1vmh by Molmil](/molmil-images/mine/1vmh) | |
5GLN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gln by Molmil](/molmil-images/mine/5gln) | Crystal structure of CoXyl43, GH43 beta-xylosidase/alpha-arabinofuranosidase from a compostmicrobial metagenome in complex with xylotriose, calcium-bound form | Descriptor: | ACETATE ION, CALCIUM ION, Glycoside hydrolase family 43, ... | Authors: | Matsuzawa, T, Kishine, N, Fujimoto, Z, Yaoi, K. | Deposit date: | 2016-07-12 | Release date: | 2017-03-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of metagenomic beta-xylosidase/ alpha-l-arabinofuranosidase activated by calcium. J. Biochem., 162, 2017
|
|
7QZO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qzo by Molmil](/molmil-images/mine/7qzo) | Crystal structure of GacS D1 domain | Descriptor: | CADMIUM ION, GLYCEROL, Histidine kinase | Authors: | Fadel, F, Bassim, V, Botzanowski, T, Francis, V.I, Legrand, P, Porter, S.L, Bourne, Y, Cianferani, S, Vincent, F. | Deposit date: | 2022-01-31 | Release date: | 2022-07-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Insights into the atypical autokinase activity of the Pseudomonas aeruginosa GacS histidine kinase and its interaction with RetS. Structure, 30, 2022
|
|
5GLX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5glx by Molmil](/molmil-images/mine/5glx) | Crystal structure of a glycoside hydrolase from Thielavia terrestris NRRL 8126 | Descriptor: | Glycoside hydrolase family 45 protein | Authors: | Gao, J, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2016-07-12 | Release date: | 2017-04-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Characterization and crystal structure of a thermostable glycoside hydrolase family 45 1,4-beta-endoglucanase from Thielavia terrestris Enzyme Microb. Technol., 99, 2017
|
|
7RPF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rpf by Molmil](/molmil-images/mine/7rpf) | X-ray crystal structure of OXA-24/40 in complex with doripenem | Descriptor: | (2S,3R,4S)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid, (4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid, BICARBONATE ION, ... | Authors: | Powers, R.A, Mitchell, J.M, June, C.M. | Deposit date: | 2021-08-03 | Release date: | 2022-07-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Conformational flexibility in carbapenem hydrolysis drives substrate specificity of the class D carbapenemase OXA-24/40. J.Biol.Chem., 298, 2022
|
|
1VP8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1vp8 by Molmil](/molmil-images/mine/1vp8) | |
1VPK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1vpk by Molmil](/molmil-images/mine/1vpk) | |
7RPG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rpg by Molmil](/molmil-images/mine/7rpg) | X-ray crystal structure of OXA-24/40 K84D in complex with cefotaxime | Descriptor: | Beta-lactamase, CEFOTAXIME, C3' cleaved, ... | Authors: | Powers, R.A, Mitchell, J.M, June, C.M. | Deposit date: | 2021-08-03 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Conformational flexibility in carbapenem hydrolysis drives substrate specificity of the class D carbapenemase OXA-24/40. J.Biol.Chem., 298, 2022
|
|
1VL6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1vl6 by Molmil](/molmil-images/mine/1vl6) | |
1VPX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1vpx by Molmil](/molmil-images/mine/1vpx) | |
5GQI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gqi by Molmil](/molmil-images/mine/5gqi) | Crystal structure of Cypovirus Polyhedra mutant with deletion of Ala194 | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | Authors: | Abe, S, Tabe, H, Ijiri, H, Yamashita, K, Hirata, K, Mori, H, Ueno, T. | Deposit date: | 2016-08-07 | Release date: | 2017-02-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal Engineering of Self-Assembled Porous Protein Materials in Living Cells ACS Nano, 11, 2017
|
|
1VM7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1vm7 by Molmil](/molmil-images/mine/1vm7) | |
9FCL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9fcl by Molmil](/molmil-images/mine/9fcl) | CysG(N-16) in complex with SAM from Kitasatospora cystarginea | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kuttenlochner, W, Beller, P, Kaysser, L, Groll, M. | Deposit date: | 2024-05-15 | Release date: | 2024-08-21 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Deciphering the SAM- and Metal-Dependent Mechanism of O-Methyltransferases in Cystargolide and Belactosin Biosynthesis: A Structure-Activity Relationship Study. J.Biol.Chem., 2024
|
|
5GQL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gql by Molmil](/molmil-images/mine/5gql) | Crystal structure of Wild Type Cypovirus Polyhedra | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | Authors: | Abe, S, Tabe, H, Ijiri, H, Yamashita, K, Hirata, K, Mori, H, Ueno, T. | Deposit date: | 2016-08-07 | Release date: | 2017-02-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Crystal Engineering of Self-Assembled Porous Protein Materials in Living Cells ACS Nano, 11, 2017
|
|
7RPE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rpe by Molmil](/molmil-images/mine/7rpe) | X-ray crystal structure of OXA-24/40 in complex with ertapenem | Descriptor: | (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, BICARBONATE ION, Beta-lactamase, ... | Authors: | Powers, R.A, Mitchell, J.M, June, C.M. | Deposit date: | 2021-08-03 | Release date: | 2022-07-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Conformational flexibility in carbapenem hydrolysis drives substrate specificity of the class D carbapenemase OXA-24/40. J.Biol.Chem., 298, 2022
|
|
9FCD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9fcd by Molmil](/molmil-images/mine/9fcd) | CysG(N-16) in complex with SAH from Kitasatospora cystarginea | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CARBONATE ION, ... | Authors: | Kuttenlochner, W, Beller, P, Kaysser, L, Groll, M. | Deposit date: | 2024-05-15 | Release date: | 2024-08-21 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Deciphering the SAM- and Metal-Dependent Mechanism of O-Methyltransferases in Cystargolide and Belactosin Biosynthesis: A Structure-Activity Relationship Study. J.Biol.Chem., 2024
|
|
1VQZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1vqz by Molmil](/molmil-images/mine/1vqz) | |
9FD3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9fd3 by Molmil](/molmil-images/mine/9fd3) | CysG(N-16)-D190N mutant in complex with SAH from Kitasatospora cystarginea | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Kuttenlochner, W, Beller, P, Kaysser, L, Groll, M. | Deposit date: | 2024-05-16 | Release date: | 2024-08-21 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Deciphering the SAM- and Metal-Dependent Mechanism of O-Methyltransferases in Cystargolide and Belactosin Biosynthesis: A Structure-Activity Relationship Study. J.Biol.Chem., 2024
|
|