4PZV
 
 | | Crystal structure of Francisella tularensis HPPK-DHPS in complex with bisubstrate analog HPPK inhibitor J1D | | Descriptor: | 1,2-ETHANEDIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase/dihydropteroate synthase, 5'-{[2-({N-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]glycyl}amino)ethyl]sulfonyl}-5'-deoxyadenosine | | Authors: | Shaw, G.X, Shi, G, Ji, X. | | Deposit date: | 2014-03-31 | | Release date: | 2014-07-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.704 Å) | | Cite: | Structural enzymology and inhibition of the bi-functional folate pathway enzyme HPPK-DHPS from the biowarfare agent Francisella tularensis.
Febs J., 281, 2014
|
|
8EVK
 | | Crystal structure of Helicobacter pylori dihydroneopterin aldolase (DHNA) | | Descriptor: | 1,2-ETHANEDIOL, Dihydroneopterin aldolase, PTERINE | | Authors: | Shaw, G.X, Cherry, S, Tropea, J.E, Ji, X. | | Deposit date: | 2022-10-20 | | Release date: | 2023-03-01 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Structure of Helicobacter pylori dihydroneopterin aldolase suggests a fragment-based strategy for isozyme-specific inhibitor design.
Curr Res Struct Biol, 5, 2023
|
|
6AN6
 | | Crystal structure of Escherichia coli HPPK in complex with bisubstrate analogue inhibitor HP-72 | | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-{2-[{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}(phosphonomethyl)amino]ethyl}-5'-thioadenosine | | Authors: | Shaw, G.X, Shi, G, Ji, X. | | Deposit date: | 2017-08-12 | | Release date: | 2018-08-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Bisubstrate analogue inhibitors of HPPK: Transition state mimetics
to be published
|
|
8SBU
 | | Crystal structure of MBP fusion with HPPK from Methanocaldococcus jannaschii | | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Shaw, G.X, Needle, D, Stair, N.R, Cherry, S, Tropea, J.E, Waugh, D.S, Ji, X. | | Deposit date: | 2023-04-04 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of MBP fusion with HPPK from Methanocaldococcus jannaschii
To be published
|
|
8SD5
 | | Crystal structure of HPPK from Methanocaldococcus jannaschii | | Descriptor: | 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase, SULFATE ION | | Authors: | Shaw, G.X, Needle, D, Stair, N.R, Cherry, S, Tropea, J.E, Waugh, D.S, Ji, X. | | Deposit date: | 2023-04-06 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.802 Å) | | Cite: | Crystal structure of HPPK from Methanocaldococcus jannaschii
To be published
|
|
8SK1
 | | Bacillus anthracis HPPK in complex with bisubstrate inhibitor HP-73 | | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase, 5'-S-[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]-5'-thioadenosine | | Authors: | Shaw, G.X, Tropea, J.E, Shi, G, Waugh, D.S, Ji, X. | | Deposit date: | 2023-04-18 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of Bacillus anthracis HPPK in complex with bisubstrate inhibitor HP-73
To be published
|
|
8SSX
 | | Crystal structure of Bacillus anthracis dihydrofolate reductase at 1.65-A resolution | | Descriptor: | 1,2-ETHANEDIOL, Dihydrofolate reductase, SULFATE ION | | Authors: | Shaw, G.X, Li, Y, Wu, Y, Yan, H, Ji, X. | | Deposit date: | 2023-05-09 | | Release date: | 2023-05-17 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of Bacillus anthracis dihydrofolate reductase at 1.65-A resolution
To be published
|
|
8SU7
 | | Crystal structure of Bacillus anthracis dihydroneopterin aldolase | | Descriptor: | 1,2-ETHANEDIOL, 7,8-dihydroneopterin aldolase | | Authors: | Shaw, G.X, Li, Y, Yan, H, Ji, X. | | Deposit date: | 2023-05-11 | | Release date: | 2023-05-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of Bacillus anthracis dihydroneopterin aldolase
To be published
|
|
8SV5
 | | Crystal structure of Bacillus anthracis dihydroneopterin aldolase in complex with 6-hydroxymethyl-7,8-dihydropterin | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 7,8-dihydroneopterin aldolase | | Authors: | Shaw, G.X, Li, Y, Yan, H, Ji, X. | | Deposit date: | 2023-05-15 | | Release date: | 2023-06-07 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Crystal structure of Bacillus anthracis dihydroneopterin aldolase in complex with 6-hydroxymethyl-7,8-dihydropterin
To be published
|
|
8SZE
 | | Crystal structure of Yersinia pestis dihydrofolate reductase in complex with Trimethoprim | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Dihydrofolate reductase, ... | | Authors: | Shaw, G.X, Cherry, S, Tropea, J.E, Waugh, D.S, Ji, X. | | Deposit date: | 2023-05-29 | | Release date: | 2023-06-07 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of Yersinia pestis dihydrofolate reductase in complex with Trimethoprim
To be published
|
|
8SZD
 | | Crystal structure of Yersinia pestis dihydrofolate reductase at 1.25-A resolution | | Descriptor: | CHLORIDE ION, Dihydrofolate reductase, MAGNESIUM ION, ... | | Authors: | Shaw, G.X, Cherry, S, Tropea, J.E, Waugh, D.S, Ji, X. | | Deposit date: | 2023-05-29 | | Release date: | 2023-06-07 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Crystal structure of Yersinia pestis dihydrofolate reductase at 1.25-A resolution
To be published
|
|
8SL9
 | | Crystal structure of Francisella tularensis HPPK-DHPS in complex with HPPK inhibitor HP-73 | | Descriptor: | 1,2-ETHANEDIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]-5'-thioadenosine, ... | | Authors: | Shaw, G.X, Shi, G, Cherry, S, Needle, D, Tropea, J.E, Waugh, D.S, Ji, X. | | Deposit date: | 2023-04-21 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of Francisella tularensis HPPK-DHPS in complex with HPPK inhibitor HP-73
To be published
|
|
8SP4
 | |
8SO8
 | |
8SPG
 | |
7KDO
 | | Crystal structure of Escherichia coli HPPK in complex with bisubstrate inhibitor HP-73 | | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]-5'-thioadenosine | | Authors: | Shaw, G.X, Shi, G, Ji, X. | | Deposit date: | 2020-10-09 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Bisubstrate inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: Transition state analogs for high affinity binding.
Bioorg.Med.Chem., 29, 2021
|
|
7KDR
 | | Crystal structure of Escherichia coli HPPK in complex with bisubstrate inhibitor HP-75 | | Descriptor: | 1,2-ETHANEDIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-{[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]sulfonyl}-5'-deoxyadenosine, ... | | Authors: | Shaw, G.X, Shi, G, Ji, X. | | Deposit date: | 2020-10-09 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.488 Å) | | Cite: | Bisubstrate inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: Transition state analogs for high affinity binding.
Bioorg.Med.Chem., 29, 2021
|
|
8GKV
 | | Crystal structure of anti-adaptor IraP that regulates RpoS proteolysis | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Shaw, G.X, Gan, J, Suburaman, P, Battesti, A, Zhou, Y.N, Wickner, S, Gottesman, S, Ji, X. | | Deposit date: | 2023-03-20 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.351 Å) | | Cite: | Structural and functional study of anti-adaptor IraP-mediated regulation of RpoS proteolysis
to be published
|
|
6BOG
 | | Crystal structure of RapA, a Swi2/Snf2 protein that recycles RNA polymerase during transcription | | Descriptor: | RNA polymerase-associated protein RapA, SULFATE ION | | Authors: | Shaw, G.X, Gan, J, Zhou, Y.N, Zhang, R, Joachimiak, A, Jin, D.J, Ji, X. | | Deposit date: | 2017-11-20 | | Release date: | 2017-12-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.205 Å) | | Cite: | Structure of RapA, a Swi2/Snf2 protein that recycles RNA polymerase during transcription.
Structure, 16, 2008
|
|
8SIF
 | |
7R97
 | | Crystal structure of postcleavge complex of Escherichia coli RNase III | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Dharavath, S, Shaw, G.X, Ji, X. | | Deposit date: | 2021-06-28 | | Release date: | 2022-07-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.804 Å) | | Cite: | Structural basis for Dicer-like function of an engineered RNase III variant and insights into the reaction trajectory of two-Mg 2+ -ion catalysis.
Rna Biol., 19, 2022
|
|
6PC1
 | | Crystal structure of Helicobacter pylori PPX/GppA (E143A) in complex with ppGpp | | Descriptor: | (2S)-2-hydroxybutanedioic acid, 1,2-ETHANEDIOL, GUANOSINE-5',3'-TETRAPHOSPHATE, ... | | Authors: | Song, H, Wang, C, Shaw, G.X, Ji, X. | | Deposit date: | 2019-06-15 | | Release date: | 2019-11-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Structure and activity of PPX/GppA homologs from Escherichia coli and Helicobacter pylori.
Febs J., 287, 2020
|
|
6PC0
 | | Crystal structure of Helicobacter pylori PPX/GppA | | Descriptor: | (2S)-2-hydroxybutanedioic acid, 1,2-ETHANEDIOL, D-MALATE, ... | | Authors: | Song, H, Wang, C, Shaw, G.X, Ji, X. | | Deposit date: | 2019-06-15 | | Release date: | 2019-11-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure and activity of PPX/GppA homologs from Escherichia coli and Helicobacter pylori.
Febs J., 287, 2020
|
|
6PBZ
 | | Crystal structure of Escherichia coli GppA | | Descriptor: | CHLORIDE ION, Guanosine-5'-triphosphate,3'-diphosphate pyrophosphatase | | Authors: | Song, H, Shaw, G.X, Wang, C, Ji, X. | | Deposit date: | 2019-06-15 | | Release date: | 2019-11-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.475 Å) | | Cite: | Structure and activity of PPX/GppA homologs from Escherichia coli and Helicobacter pylori.
Febs J., 287, 2020
|
|
6PC3
 | | Crystal structure of Helicobacter pylori PPX/GppA in complex with GSP | | Descriptor: | 1,2-ETHANEDIOL, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, CHLORIDE ION, ... | | Authors: | Song, H, Wang, C, Shaw, G.X, Ji, X. | | Deposit date: | 2019-06-15 | | Release date: | 2019-11-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and activity of PPX/GppA homologs from Escherichia coli and Helicobacter pylori.
Febs J., 287, 2020
|
|
