8KHQ
 
 | | Bifunctional sulfoxide synthase OvoA_Th2 in complex with histidine and cysteine | | Descriptor: | 5-histidylcysteine sulfoxide synthase/putative 4-mercaptohistidine N1-methyltranferase, COBALT (II) ION, CYSTEINE, ... | | Authors: | Wang, J, Ye, K, Wang, X.Y, Yan, W.P. | | Deposit date: | 2023-08-22 | | Release date: | 2023-12-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Biochemical and Structural Characterization of OvoA Th2 : A Mononuclear Nonheme Iron Enzyme from Hydrogenimonas thermophila for Ovothiol Biosynthesis.
Acs Catalysis, 13, 2023
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3MEG
 | | HIV-1 K103N Reverse Transcriptase in Complex with TMC278 | | Descriptor: | 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, SULFATE ION, p51 Reverse transcriptase, ... | | Authors: | Lansdon, E.B. | | Deposit date: | 2010-03-31 | | Release date: | 2010-05-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structures of HIV-1 Reverse Transcriptase with Etravirine (TMC125) and Rilpivirine (TMC278): Implications for Drug Design.
J.Med.Chem., 53, 2010
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5IP0
 | | PHA Binding Protein PhaP (Phasin) | | Descriptor: | CADMIUM ION, PHA granule-associated protein | | Authors: | Chen, G.Q, Wang, X.Q, Zhao, H.Y. | | Deposit date: | 2016-03-09 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Insights on PHA Binding Protein PhaP from Aeromonas hydrophila
Sci Rep, 6, 2016
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3KZD
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3MEC
 | | HIV-1 Reverse Transcriptase in Complex with TMC125 | | Descriptor: | 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE, SULFATE ION, p51 Reverse transcriptase, ... | | Authors: | Lansdon, E.B. | | Deposit date: | 2010-03-31 | | Release date: | 2010-05-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structures of HIV-1 Reverse Transcriptase with Etravirine (TMC125) and Rilpivirine (TMC278): Implications for Drug Design.
J.Med.Chem., 53, 2010
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5HDV
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5M5G
 | | Crystal structure of the Chaetomium Thermophilum polycomb repressive complex 2 (PRC2) | | Descriptor: | Fragment from molecular 2 (region containing putative polycomb protein Suz12), HISTONE H3 11-Mer peptide, Putative uncharacterized protein, ... | | Authors: | Zhang, Y, Justin, N, Wilson, J, Gamblin, S. | | Deposit date: | 2016-10-21 | | Release date: | 2017-01-11 | | Last modified: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Comment on "Structural basis of histone H3K27 trimethylation by an active polycomb repressive complex 2".
Science, 354, 2016
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5WQA
 | | Crystal structure of PDE4D catalytic domain complexed with Selaginpulvilins K | | Descriptor: | 1-[2-(4-hydroxyphenyl)ethynyl]-9,9-bis(4-methoxyphenyl)-7-oxidanyl-fluorene-2-carbaldehyde, MAGNESIUM ION, ZINC ION, ... | | Authors: | Huang, Y, Zhang, T, Zheng, X, Yin, S, Luo, H.B. | | Deposit date: | 2016-11-24 | | Release date: | 2017-02-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The discovery, complex crystal structure, and recognition mechanism of a novel natural PDE4 inhibitor from Selaginella pulvinata
Biochem. Pharmacol., 130, 2017
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6VC2
 | | LRH-1 bound to SS-RJW100 and a fragment of the Tif2 Coactivator | | Descriptor: | (1S,3aS,6aS)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 | | Authors: | Mays, S.G, Ortlund, E.A. | | Deposit date: | 2019-12-20 | | Release date: | 2020-12-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.697 Å) | | Cite: | Enantiomer-specific activities of an LRH-1 and SF-1 dual agonist.
Sci Rep, 10, 2020
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3KK2
 | | HIV-1 reverse transcriptase-DNA complex with dATP bound in the nucleotide binding site | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 5'-D(*A*TP*GP*GP*TP*GP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3', 5'-D(*AP*CP*A*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*(DOC))-3', ... | | Authors: | Lansdon, E.B. | | Deposit date: | 2009-11-04 | | Release date: | 2010-03-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Visualizing the molecular interactions of a nucleotide analog, GS-9148, with HIV-1 reverse transcriptase-DNA complex.
J.Mol.Biol., 397, 2010
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8ZET
 | | Tp-PSI-FCPI-S in Thalassiosira pseudonana | | Descriptor: | (1~{R})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]cyclohex-3-en-1-ol, (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, ... | | Authors: | Feng, Y, Li, Z, Shen, J.R, Wang, W. | | Deposit date: | 2024-05-06 | | Release date: | 2024-12-25 | | Last modified: | 2025-04-30 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structures of PSI-FCPI from Thalassiosira pseudonana grown under high light provide evidence for convergent evolution and light-adaptive strategies in diatom FCPIs.
J Integr Plant Biol, 67, 2025
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8ZEH
 | | PSI-FCPI-L in Thalassiosira pseudonana | | Descriptor: | (1~{R})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]cyclohex-3-en-1-ol, (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, ... | | Authors: | Feng, Y, Li, Z, Wang, W, Shen, J.R. | | Deposit date: | 2024-05-06 | | Release date: | 2024-12-25 | | Last modified: | 2025-04-30 | | Method: | ELECTRON MICROSCOPY (2.78 Å) | | Cite: | Structures of PSI-FCPI from Thalassiosira pseudonana grown under high light provide evidence for convergent evolution and light-adaptive strategies in diatom FCPIs.
J Integr Plant Biol, 67, 2025
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5HE5
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7BXO
 | | Crystal structure of the toxin-antitoxin with AMP-PNP | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Toxin-antitoxin system antidote Mnt family, ... | | Authors: | Ouyang, S.Y, Zhen, X.K. | | Deposit date: | 2020-04-20 | | Release date: | 2020-09-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Novel polyadenylylation-dependent neutralization mechanism of the HEPN/MNT toxin/antitoxin system.
Nucleic Acids Res., 48, 2020
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8XEP
 | | Crystal structure of a Legionella pneumophila type IV effector in complex with ubiquitin | | Descriptor: | SULFATE ION, Type IV effector MavL, Ubiquitin | | Authors: | Tan, J.X, Wang, X.F, Zhou, Y, Zhu, Y.Q. | | Deposit date: | 2023-12-12 | | Release date: | 2024-05-01 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Legionella effector LnaB is a phosphoryl AMPylase that impairs phosphosignalling.
Nature, 631, 2024
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3MED
 | | HIV-1 K103N Reverse Transcriptase in Complex with TMC125 | | Descriptor: | 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE, CHLORIDE ION, SULFATE ION, ... | | Authors: | Lansdon, E.B. | | Deposit date: | 2010-03-31 | | Release date: | 2010-05-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structures of HIV-1 Reverse Transcriptase with Etravirine (TMC125) and Rilpivirine (TMC278): Implications for Drug Design.
J.Med.Chem., 53, 2010
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6K4V
 | | The solution structure of the smart chimeric peptide G6 | | Descriptor: | smart chimeric peptide G6 | | Authors: | Wang, J.H, Liu, X.H. | | Deposit date: | 2019-05-27 | | Release date: | 2019-06-12 | | Last modified: | 2024-10-23 | | Method: | SOLUTION NMR | | Cite: | Development of chimeric peptides to facilitate the neutralisation of lipopolysaccharides during bactericidal targeting of multidrug-resistant Escherichia coli.
Commun Biol, 3, 2020
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3MEE
 | | HIV-1 Reverse Transcriptase in Complex with TMC278 | | Descriptor: | 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, SULFATE ION, p51 Reverse transcriptase, ... | | Authors: | Lansdon, E.B. | | Deposit date: | 2010-03-31 | | Release date: | 2010-05-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structures of HIV-1 Reverse Transcriptase with Etravirine (TMC125) and Rilpivirine (TMC278): Implications for Drug Design.
J.Med.Chem., 53, 2010
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2MU3
 | | Spider wrapping silk fibre architecture arising from its modular soluble protein precursor | | Descriptor: | Aciniform spidroin 1 | | Authors: | Xu, L, Tremblay, M, Meng, Q, Liu, X, Rainey, J.K, Lefevre, T, Sarker, M, Orrell, K.E, Leclerc, J, Pezolet, M, Auger, M. | | Deposit date: | 2014-09-03 | | Release date: | 2015-07-08 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Spider wrapping silk fibre architecture arising from its modular soluble protein precursor.
Sci Rep, 5, 2015
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2NAE
 | | Membrane-bound mouse CD28 cytoplasmic tail | | Descriptor: | T-cell-specific surface glycoprotein CD28 | | Authors: | Li, H, Xu, C, Pan, W. | | Deposit date: | 2015-12-23 | | Release date: | 2016-12-21 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Dynamic regulation of CD28 conformation and signaling by charged lipids and ions.
Nat.Struct.Mol.Biol., 24, 2017
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6K4W
 | | smart chimeric peptide SCP-A6 | | Descriptor: | SCP-A6 | | Authors: | Wang, J.H, Liu, X.H. | | Deposit date: | 2019-05-27 | | Release date: | 2019-06-12 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Development of chimeric peptides to facilitate the neutralisation of lipopolysaccharides during bactericidal targeting of multidrug-resistant Escherichia coli.
Commun Biol, 3, 2020
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5Y0I
 | | Solution structure of arenicin-3 derivative N1 | | Descriptor: | NZ17074(N1) | | Authors: | Liu, X.H, Wang, J.H. | | Deposit date: | 2017-07-17 | | Release date: | 2017-07-26 | | Last modified: | 2024-10-23 | | Method: | SOLUTION NMR | | Cite: | Antibacterial and detoxifying activity of NZ17074 analogues with multi-layers of selective antimicrobial actions against Escherichia coli and Salmonella enteritidis
Sci Rep, 7, 2017
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8XTZ
 | | Crystal structure of Lsd18 in complex with a substrate | | Descriptor: | (4R,5S)-4-methyl-5-phenyl-3-((2R,3S,4S,6E,10E)-2,6,10-triethyl-3-hydroxy-4-methyldodeca-6,10-dienoyl)oxazolidin-2-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Deng, Y.M, Hu, Y.L, Chen, X. | | Deposit date: | 2024-01-12 | | Release date: | 2025-01-15 | | Last modified: | 2025-06-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural Basis of Sequential Enantioselective Epoxidation by a Flavin-Dependent Monooxygenase in Lasalocid A Biosynthesis.
Angew.Chem.Int.Ed.Engl., 64, 2025
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8XU7
 | | Crystal structure of Lsd18 in complex with a product | | Descriptor: | (4R,5S)-3-((2R,3S,4S)-2-ethyl-5-((2R,3R)-2-ethyl-3-(2-((2R,3R)-2-ethyl-3-methyloxiran-2-yl)ethyl)oxiran-2-yl)-3-hydroxy-4-methylpentanoyl)-4-methyl-5-phenyloxazolidin-2-one, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Deng, Y.M, Chen, X. | | Deposit date: | 2024-01-12 | | Release date: | 2025-01-15 | | Last modified: | 2025-06-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis of Sequential Enantioselective Epoxidation by a Flavin-Dependent Monooxygenase in Lasalocid A Biosynthesis.
Angew.Chem.Int.Ed.Engl., 64, 2025
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5Y0H
 | | Solution structure of arenicin-3 derivative N6 | | Descriptor: | N6 | | Authors: | Liu, X.H, Wang, J.H. | | Deposit date: | 2017-07-17 | | Release date: | 2017-07-26 | | Last modified: | 2024-10-30 | | Method: | SOLUTION NMR | | Cite: | Antibacterial and detoxifying activity of NZ17074 analogues with multi-layers of selective antimicrobial actions against Escherichia coli and Salmonella enteritidis
Sci Rep, 7, 2017
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