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4PZV
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BU of 4pzv by Molmil
Crystal structure of Francisella tularensis HPPK-DHPS in complex with bisubstrate analog HPPK inhibitor J1D
分子名称: 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
著者Shaw, G.X, Shi, G, Ji, X.
登録日2014-03-31
公開日2014-07-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.704 Å)
主引用文献Structural enzymology and inhibition of the bi-functional folate pathway enzyme HPPK-DHPS from the biowarfare agent Francisella tularensis.
Febs J., 281, 2014
8EVK
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BU of 8evk by Molmil
Crystal structure of Helicobacter pylori dihydroneopterin aldolase (DHNA)
分子名称: 1,2-ETHANEDIOL, Dihydroneopterin aldolase, PTERINE
著者Shaw, G.X, Cherry, S, Tropea, J.E, Ji, X.
登録日2022-10-20
公開日2023-03-01
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Structure of Helicobacter pylori dihydroneopterin aldolase suggests a fragment-based strategy for isozyme-specific inhibitor design.
Curr Res Struct Biol, 5, 2023
6AN6
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BU of 6an6 by Molmil
Crystal structure of Escherichia coli HPPK in complex with bisubstrate analogue inhibitor HP-72
分子名称: 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
著者Shaw, G.X, Shi, G, Ji, X.
登録日2017-08-12
公開日2018-08-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Bisubstrate analogue inhibitors of HPPK: Transition state mimetics
to be published
8SBU
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BU of 8sbu by Molmil
Crystal structure of MBP fusion with HPPK from Methanocaldococcus jannaschii
分子名称: Maltose/maltodextrin-binding periplasmic protein,6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Shaw, G.X, Needle, D, Stair, N.R, Cherry, S, Tropea, J.E, Waugh, D.S, Ji, X.
登録日2023-04-04
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of MBP fusion with HPPK from Methanocaldococcus jannaschii
To be published
8SD5
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BU of 8sd5 by Molmil
Crystal structure of HPPK from Methanocaldococcus jannaschii
分子名称: 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase, SULFATE ION
著者Shaw, G.X, Needle, D, Stair, N.R, Cherry, S, Tropea, J.E, Waugh, D.S, Ji, X.
登録日2023-04-06
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.802 Å)
主引用文献Crystal structure of HPPK from Methanocaldococcus jannaschii
To be published
8SSX
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BU of 8ssx by Molmil
Crystal structure of Bacillus anthracis dihydrofolate reductase at 1.65-A resolution
分子名称: 1,2-ETHANEDIOL, Dihydrofolate reductase, SULFATE ION
著者Shaw, G.X, Li, Y, Wu, Y, Yan, H, Ji, X.
登録日2023-05-09
公開日2023-05-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of Bacillus anthracis dihydrofolate reductase at 1.65-A resolution
To be published
8SL9
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BU of 8sl9 by Molmil
Crystal structure of Francisella tularensis HPPK-DHPS in complex with HPPK inhibitor HP-73
分子名称: 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, ...
著者Shaw, G.X, Shi, G, Cherry, S, Needle, D, Tropea, J.E, Waugh, D.S, Ji, X.
登録日2023-04-21
公開日2024-05-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of Francisella tularensis HPPK-DHPS in complex with HPPK inhibitor HP-73
To be published
8SO8
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BU of 8so8 by Molmil
Crystal structure of an N-terminally truncated variant of Escherichia coli RapA
分子名称: CHLORIDE ION, RNA polymerase-associated protein RapA, SULFATE ION
著者Shaw, G.X, Kakar, S, Ji, X.
登録日2023-04-28
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.607 Å)
主引用文献Crystal structure of an N-terminally truncated variant of Escherichia coli RapA
To be published
8SP4
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BU of 8sp4 by Molmil
Crystal structure of N-terminally truncated Escherichia coli RapA in complex with ATP-gamma-S
分子名称: CHLORIDE ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, RNA polymerase-associated protein RapA
著者Shaw, G.X, Kakar, S, Ji, X.
登録日2023-05-02
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Crystal structure of N-terminally truncated Escherichia coli RapA in complex with ATP-gamma-S
To be published
8SK1
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BU of 8sk1 by Molmil
Bacillus anthracis HPPK in complex with bisubstrate inhibitor HP-73
分子名称: 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
著者Shaw, G.X, Tropea, J.E, Shi, G, Waugh, D.S, Ji, X.
登録日2023-04-18
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of Bacillus anthracis HPPK in complex with bisubstrate inhibitor HP-73
To be published
8SPG
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BU of 8spg by Molmil
Crystal structure of N-terminally truncated Escherichia coli RapA in complex with MgADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ...
著者Shaw, G.X, Ji, X.
登録日2023-05-03
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of N-terminally truncated Escherichia coli RapA in complex with MgADP
To be published
8SU7
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BU of 8su7 by Molmil
Crystal structure of Bacillus anthracis dihydroneopterin aldolase
分子名称: 1,2-ETHANEDIOL, 7,8-dihydroneopterin aldolase
著者Shaw, G.X, Li, Y, Yan, H, Ji, X.
登録日2023-05-11
公開日2023-05-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of Bacillus anthracis dihydroneopterin aldolase
To be published
8SV5
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BU of 8sv5 by Molmil
Crystal structure of Bacillus anthracis dihydroneopterin aldolase in complex with 6-hydroxymethyl-7,8-dihydropterin
分子名称: 1,2-ETHANEDIOL, 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 7,8-dihydroneopterin aldolase
著者Shaw, G.X, Li, Y, Yan, H, Ji, X.
登録日2023-05-15
公開日2023-06-07
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Crystal structure of Bacillus anthracis dihydroneopterin aldolase in complex with 6-hydroxymethyl-7,8-dihydropterin
To be published
8SZE
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BU of 8sze by Molmil
Crystal structure of Yersinia pestis dihydrofolate reductase in complex with Trimethoprim
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Dihydrofolate reductase, ...
著者Shaw, G.X, Cherry, S, Tropea, J.E, Waugh, D.S, Ji, X.
登録日2023-05-29
公開日2023-06-07
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of Yersinia pestis dihydrofolate reductase in complex with Trimethoprim
To be published
8SZD
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BU of 8szd by Molmil
Crystal structure of Yersinia pestis dihydrofolate reductase at 1.25-A resolution
分子名称: CHLORIDE ION, Dihydrofolate reductase, MAGNESIUM ION, ...
著者Shaw, G.X, Cherry, S, Tropea, J.E, Waugh, D.S, Ji, X.
登録日2023-05-29
公開日2023-06-07
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystal structure of Yersinia pestis dihydrofolate reductase at 1.25-A resolution
To be published
7KDO
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BU of 7kdo by Molmil
Crystal structure of Escherichia coli HPPK in complex with bisubstrate inhibitor HP-73
分子名称: 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
著者Shaw, G.X, Shi, G, Ji, X.
登録日2020-10-09
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Bisubstrate inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: Transition state analogs for high affinity binding.
Bioorg.Med.Chem., 29, 2021
7KDR
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BU of 7kdr by Molmil
Crystal structure of Escherichia coli HPPK in complex with bisubstrate inhibitor HP-75
分子名称: 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, ...
著者Shaw, G.X, Shi, G, Ji, X.
登録日2020-10-09
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.488 Å)
主引用文献Bisubstrate inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: Transition state analogs for high affinity binding.
Bioorg.Med.Chem., 29, 2021
6BOG
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BU of 6bog by Molmil
Crystal structure of RapA, a Swi2/Snf2 protein that recycles RNA polymerase during transcription
分子名称: RNA polymerase-associated protein RapA, SULFATE ION
著者Shaw, G.X, Gan, J, Zhou, Y.N, Zhang, R, Joachimiak, A, Jin, D.J, Ji, X.
登録日2017-11-20
公開日2017-12-13
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.205 Å)
主引用文献Structure of RapA, a Swi2/Snf2 protein that recycles RNA polymerase during transcription.
Structure, 16, 2008
8SIF
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BU of 8sif by Molmil
Crystal structure of Escherichia coli HPPK in complex with bisubstrate inhibitor HP-101
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-{(2R,4R)-1-[3-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]-2-carboxypiperidin-4-yl}-5'-thioadenosine
著者Shaw, G.X, Shi, G, Ji, X.
登録日2023-04-16
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The first bisubstrate inhibitor of HPPK exhibiting cell permeability
To be published
8GKV
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BU of 8gkv by Molmil
Crystal structure of anti-adaptor IraP that regulates RpoS proteolysis
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Shaw, G.X, Gan, J, Suburaman, P, Battesti, A, Zhou, Y.N, Wickner, S, Gottesman, S, Ji, X.
登録日2023-03-20
公開日2024-03-27
実験手法X-RAY DIFFRACTION (2.351 Å)
主引用文献Structural and functional study of anti-adaptor IraP-mediated regulation of RpoS proteolysis
to be published
7R97
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BU of 7r97 by Molmil
Crystal structure of postcleavge complex of Escherichia coli RNase III
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Dharavath, S, Shaw, G.X, Ji, X.
登録日2021-06-28
公開日2022-07-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.804 Å)
主引用文献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
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BU of 6pc1 by Molmil
Crystal structure of Helicobacter pylori PPX/GppA (E143A) in complex with ppGpp
分子名称: (2S)-2-hydroxybutanedioic acid, 1,2-ETHANEDIOL, GUANOSINE-5',3'-TETRAPHOSPHATE, ...
著者Song, H, Wang, C, Shaw, G.X, Ji, X.
登録日2019-06-15
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Structure and activity of PPX/GppA homologs from Escherichia coli and Helicobacter pylori.
Febs J., 287, 2020
6PC0
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BU of 6pc0 by Molmil
Crystal structure of Helicobacter pylori PPX/GppA
分子名称: (2S)-2-hydroxybutanedioic acid, 1,2-ETHANEDIOL, D-MALATE, ...
著者Song, H, Wang, C, Shaw, G.X, Ji, X.
登録日2019-06-15
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and activity of PPX/GppA homologs from Escherichia coli and Helicobacter pylori.
Febs J., 287, 2020
6PBZ
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BU of 6pbz by Molmil
Crystal structure of Escherichia coli GppA
分子名称: CHLORIDE ION, Guanosine-5'-triphosphate,3'-diphosphate pyrophosphatase
著者Song, H, Shaw, G.X, Wang, C, Ji, X.
登録日2019-06-15
公開日2019-11-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.475 Å)
主引用文献Structure and activity of PPX/GppA homologs from Escherichia coli and Helicobacter pylori.
Febs J., 287, 2020
6PC3
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BU of 6pc3 by Molmil
Crystal structure of Helicobacter pylori PPX/GppA in complex with GSP
分子名称: 1,2-ETHANEDIOL, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, CHLORIDE ION, ...
著者Song, H, Wang, C, Shaw, G.X, Ji, X.
登録日2019-06-15
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure and activity of PPX/GppA homologs from Escherichia coli and Helicobacter pylori.
Febs J., 287, 2020

 

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