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PDB: 437 results

8CXZ
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CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor N6-(3-Phenylpropyl)adenosine (Compound 14)
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3'), N-(3-phenylpropyl)adenosine, ...
Authors:Zhou, J, Horton, J.R, Cheng, X.
Deposit date:2022-05-22
Release date:2023-01-11
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
J.Med.Chem., 66, 2023
8CY0
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CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor MC4756 (Compound 178)
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3'), N-(4-phenylbutyl)adenosine, ...
Authors:Zhou, J, Horton, J.R, Cheng, X.
Deposit date:2022-05-22
Release date:2023-01-11
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
J.Med.Chem., 66, 2023
7ETR
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BU of 7etr by Molmil
Crystal structure of SO_1444-SO_1445 complex from Shewanella oneidensis
Descriptor: Toxin module of toxin-antitoxin system RelE/StbE family, Transcriptional regulator CopG family
Authors:Zhou, J, Zhang, H.
Deposit date:2021-05-13
Release date:2022-03-23
Method:X-RAY DIFFRACTION (3.804 Å)
Cite:Insights into the Neutralization and DNA Binding of Toxin-Antitoxin System ParE SO-CopA SO by Structure-Function Studies.
Microorganisms, 9, 2021
8JFG
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BU of 8jfg by Molmil
Crystal structure of 3-oxoacyl-ACP reductase FabG in complex with NADP+ and 3-keto-octanoyl-ACP from Helicobacter pylori
Descriptor: 3-oxoacyl-[acyl-carrier-protein] reductase, Acyl carrier protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Zhou, J.S, Zhang, L.
Deposit date:2023-05-18
Release date:2023-11-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JFA
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Crystal structure of 3-oxoacyl-ACP reductase FabG in complex with NADPH from Helicobacter pylori
Descriptor: 3-oxoacyl-[acyl-carrier-protein] reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhou, J.S, Zhang, L.
Deposit date:2023-05-17
Release date:2023-11-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JFH
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BU of 8jfh by Molmil
Crystal structure of 3-oxoacyl-ACP reductase FabG in complex with NADP+ and 3-keto-octanoyl-ACP from Helicobacter pylori in an inactive form that priors the acyl substrate delivery
Descriptor: 3-oxoacyl-[acyl-carrier-protein] reductase, Acyl carrier protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Zhou, J.S, Zhang, L.
Deposit date:2023-05-18
Release date:2023-11-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JFI
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BU of 8jfi by Molmil
Crystal structure of 3-oxoacyl-ACP reductase FabG in complex with NADP+ and 3-keto-hexanoyl-ACP from Helicobacter pylori
Descriptor: 3-oxoacyl-[acyl-carrier-protein] reductase, Acyl carrier protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Zhou, J.S, Zhang, L.
Deposit date:2023-05-18
Release date:2023-11-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JAJ
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In situ structures of the ultra-long contracted tail of Myoviridae phage P1
Descriptor: Gp22
Authors:Zhou, J.Q, Liu, H.R.
Deposit date:2023-05-06
Release date:2023-06-21
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:In Situ Structures of the Ultra-Long Extended and Contracted Tail of Myoviridae Phage P1.
Viruses, 15, 2023
8I0J
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BU of 8i0j by Molmil
JB13GH39P28 mutant-D41G
Descriptor: CHLORIDE ION, Glycoside hydrolase family 39 beta-xylosidase
Authors:Zhou, J.P, Cao, L.J, Lin, M.Y, Zhang, R, Huang, Z.X.
Deposit date:2023-01-11
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:beta-Xylosidase JB13GH39P28 (D41G) showing salt/ethanol/trypsin tolerance and transformation of notoginsenosides
To Be Published
8JAN
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BU of 8jan by Molmil
In situ structures of the ultra-long extended tail of Myoviridae phage P1
Descriptor: BplB, Gp22, Gp24
Authors:Zhou, J.Q, Liu, H.R.
Deposit date:2023-05-06
Release date:2023-06-21
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:In Situ Structures of the Ultra-Long Extended and Contracted Tail of Myoviridae Phage P1.
Viruses, 15, 2023
7E1Q
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BU of 7e1q by Molmil
Crystal structure of dehydrogenase/isomerase FabX from Helicobacter pylori
Descriptor: 2-nitropropane dioxygenase, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Zhou, J.S, Zhang, L, Zhang, L.
Deposit date:2021-02-03
Release date:2021-12-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Helicobacter pylori FabX contains a [4Fe-4S] cluster essential for unsaturated fatty acid synthesis.
Nat Commun, 12, 2021
7E1R
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BU of 7e1r by Molmil
Crystal structure of Dehydrogenase/isomerase FabX from Helicobacter pylori in complex with holo-ACP
Descriptor: 2-nitropropane dioxygenase, Acyl carrier protein,Acyl carrier protein, FLAVIN MONONUCLEOTIDE, ...
Authors:Zhou, J.S, Zhang, L, Zhang, L.
Deposit date:2021-02-03
Release date:2021-12-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.795 Å)
Cite:Helicobacter pylori FabX contains a [4Fe-4S] cluster essential for unsaturated fatty acid synthesis.
Nat Commun, 12, 2021
7E1S
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BU of 7e1s by Molmil
Crystal structure of dehydrogenase/isomerase FabX from Helicobacter pylori in complex with octanoyl-ACP
Descriptor: 2-nitropropane dioxygenase, Acyl carrier protein,Acyl carrier protein, FLAVIN MONONUCLEOTIDE, ...
Authors:Zhou, J.S, Zhang, L, Zhang, L.
Deposit date:2021-02-03
Release date:2021-12-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Helicobacter pylori FabX contains a [4Fe-4S] cluster essential for unsaturated fatty acid synthesis.
Nat Commun, 12, 2021
8K9V
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BU of 8k9v by Molmil
Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 3 (ADKI3)
Descriptor: GLYCEROL, LYSINE, Lysine--tRNA ligase, ...
Authors:Zhou, J, Xia, M, Yang, G, Li, P, Fang, P.
Deposit date:2023-08-01
Release date:2024-06-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors.
Commun Biol, 7, 2024
8K9X
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BU of 8k9x by Molmil
Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 5 (ADKI5)
Descriptor: (2~{S})-2,6-bis(azanyl)-~{N}-[3-[2-[[4-[(2,5-dimethoxyphenyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]sulfonylpropyl]hexanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Lysine--tRNA ligase
Authors:Zhou, J, Xia, M, Yang, G, Li, P, Fang, P.
Deposit date:2023-08-01
Release date:2024-06-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors.
Commun Biol, 7, 2024
8K9S
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BU of 8k9s by Molmil
Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 1 (ADKI1)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, LYSINE, Lysine--tRNA ligase, ...
Authors:Zhou, J, Xia, M, Yang, G, Li, P, Fang, P.
Deposit date:2023-08-01
Release date:2024-06-26
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors.
Commun Biol, 7, 2024
8K9U
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BU of 8k9u by Molmil
Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 2 (ADKI2)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, LYSINE, Lysine--tRNA ligase, ...
Authors:Zhou, J, Xia, M, Yang, G, Li, P, Fang, P.
Deposit date:2023-08-01
Release date:2024-06-26
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors.
Commun Biol, 7, 2024
8K9W
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BU of 8k9w by Molmil
Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 4 (ADKI4)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Lysine--tRNA ligase, ~{N}2-(2-methoxyphenyl)-~{N}4-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine
Authors:Zhou, J, Xia, M, Yang, G, Li, P, Fang, P.
Deposit date:2023-08-01
Release date:2024-06-26
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors.
Commun Biol, 7, 2024
8IQ1
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BU of 8iq1 by Molmil
Crystal structure of hydrogen sulfide-bound superoxide dismutase in reduced state
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, COPPER (II) ION, ...
Authors:Zhou, J.H, Huang, W.X, Cheng, R.X, Zhang, P.J, Zhu, Y.C.
Deposit date:2023-03-15
Release date:2023-09-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Hydrogen sulfide functions as a micro-modulator bound at the copper active site of Cu/Zn-SOD to regulate the catalytic activity of the enzyme.
Cell Rep, 42, 2023
7WZV
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BU of 7wzv by Molmil
The structure of a Twitch Radical SAM Dehydrogenase SpeY
Descriptor: (1~{S},2~{R},4~{S},5~{R})-2,4-bis(methylamino)-6-[(2~{S},3~{R},4~{S},6~{R})-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-cyclohexane-1,3,5-triol, 1,2-ETHANEDIOL, 4Fe-4S cluster-binding domain-containing protein, ...
Authors:Zhou, J.H, Hou, X.L.
Deposit date:2022-02-19
Release date:2022-12-28
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.899313 Å)
Cite:Dioxane Bridge Formation during the Biosynthesis of Spectinomycin Involves a Twitch Radical S -Adenosyl Methionine Dehydrogenase That May Have Evolved from an Epimerase.
J.Am.Chem.Soc., 144, 2022
8IQ0
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BU of 8iq0 by Molmil
Crystal structure of hydrogen sulfide-bound superoxide dismutase in oxidized state
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, COPPER (II) ION, ...
Authors:Zhou, J.H, Huang, W.X, Cheng, R.X, Zhang, P.J, Zhu, Y.C.
Deposit date:2023-03-15
Release date:2023-09-06
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Hydrogen sulfide functions as a micro-modulator bound at the copper active site of Cu/Zn-SOD to regulate the catalytic activity of the enzyme.
Cell Rep, 42, 2023
7WUP
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BU of 7wup by Molmil
The crystal structure of ApiI
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ApiI, ...
Authors:Zhou, J, Lu, J.
Deposit date:2022-02-09
Release date:2023-02-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The crystal structure of ApiI
To Be Published
7WW0
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BU of 7ww0 by Molmil
The crystal structure of FinI complex with SAH
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Zhou, J, Lu, J.
Deposit date:2022-02-12
Release date:2023-02-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The crystal structure of FinI complex with SAH
To Be Published
7E6G
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BU of 7e6g by Molmil
Crystal structure of diguanylate cyclase SiaD in complex with its activator SiaC from Pseudomonas aeruginosa
Descriptor: DUF1987 domain-containing protein, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ...
Authors:Zhou, J.S, Zhang, L, Zhang, L.
Deposit date:2021-02-22
Release date:2021-09-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural basis for diguanylate cyclase activation by its binding partner in Pseudomonas aeruginosa .
Elife, 10, 2021
7BT5
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BU of 7bt5 by Molmil
Crystal structure of plasmodium LysRS complexing with an antitumor compound
Descriptor: LYSINE, Lysine--tRNA ligase, N4-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-N2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine
Authors:Zhou, J, Wang, J, Fang, P.
Deposit date:2020-03-31
Release date:2020-09-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.493 Å)
Cite:Inhibition of Plasmodium falciparum Lysyl-tRNA synthetase via an anaplastic lymphoma kinase inhibitor.
Nucleic Acids Res., 48, 2020

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PDB entries from 2024-10-16

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