5GJM
 
 | |
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
|
|
1VKZ
 | |
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
|
|
1VJ1
 | |
1VLJ
 | |
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
 | |
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
 | | 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
 | | 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
|
|
1VP8
 | |
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
|
|
1VPK
 | |
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
 | |
1VPX
 | |
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
|
|
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
|
|
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
|
|
1VM7
 | |
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
 | | 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
 | |
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
|
|
