6PJ5
 
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5DTR
 | | Crystal structure of Dot1L in complex with inhibitor CPD5 [N-(2,6-dichlorophenyl)-4-methoxy-N-methylquinolin-6-amine] | | Descriptor: | Histone-lysine N-methyltransferase, H3 lysine-79 specific, N-(2,6-dichlorophenyl)-4-methoxy-N-methylquinolin-6-amine | | Authors: | Scheufler, C, Be, C, Moebitz, H, Stauffer, F. | | Deposit date: | 2015-09-18 | | Release date: | 2016-06-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Optimization of a Fragment-Based Screening Hit toward Potent DOT1L Inhibitors Interacting in an Induced Binding Pocket.
Acs Med.Chem.Lett., 7, 2016
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8RD7
 | | HUWE1 WWE domain in complex with ADP-ribose | | Descriptor: | ACETATE ION, CHLORIDE ION, E3 ubiquitin-protein ligase HUWE1, ... | | Authors: | Muenzker, L, Zak, K.M, Boettcher, J. | | Deposit date: | 2023-12-07 | | Release date: | 2024-07-31 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | A ligand discovery toolbox for the WWE domain family of human E3 ligases.
Commun Biol, 7, 2024
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4R75
 | | Structure of the periplasmic binding protein AfuA from Actinobacillus pleuropneumoniae (exogenous sedoheptulose-7-phosphate bound) | | Descriptor: | 1-C-(hydroxymethyl)-6-O-phosphono-beta-D-altrofuranose, ABC-type Fe3+ transport system, periplasmic component, ... | | Authors: | Sit, B, Calmettes, C, Moraes, T.F. | | Deposit date: | 2014-08-26 | | Release date: | 2015-08-12 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.278 Å) | | Cite: | Active Transport of Phosphorylated Carbohydrates Promotes Intestinal Colonization and Transmission of a Bacterial Pathogen.
Plos Pathog., 11, 2015
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6F3T
 | | Crystal structure of the human TAF5-TAF6-TAF9 complex | | Descriptor: | CHLORIDE ION, Transcription initiation factor TFIID subunit 5, Transcription initiation factor TFIID subunit 6, ... | | Authors: | Haffke, M, Berger, I. | | Deposit date: | 2017-11-28 | | Release date: | 2018-12-05 | | Last modified: | 2018-12-19 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Chaperonin CCT checkpoint function in basal transcription factor TFIID assembly.
Nat. Struct. Mol. Biol., 25, 2018
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8RD1
 | | HUWE1 WWE domain in complex with compound 4 | | Descriptor: | 2-(2-hydroxy-2-oxoethyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid, CHLORIDE ION, E3 ubiquitin-protein ligase HUWE1 | | Authors: | Muenzker, L, Zak, K.M, Boettcher, J. | | Deposit date: | 2023-12-07 | | Release date: | 2024-07-31 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.896 Å) | | Cite: | A ligand discovery toolbox for the WWE domain family of human E3 ligases.
Commun Biol, 7, 2024
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8RD0
 | | HUWE1 WWE domain in complex with compound 3 | | Descriptor: | (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic acid, CHLORIDE ION, E3 ubiquitin-protein ligase HUWE1 | | Authors: | Muenzker, L, Boettcher, J. | | Deposit date: | 2023-12-07 | | Release date: | 2024-07-31 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.765 Å) | | Cite: | A ligand discovery toolbox for the WWE domain family of human E3 ligases.
Commun Biol, 7, 2024
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8UZV
 | | Structure of TDP1 catalytic domain complexed with compound IB02 | | Descriptor: | 1,2-ETHANEDIOL, 8-{[2-(fluorosulfonyl)ethyl]amino}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Lountos, G.T, Zhao, X.Z, Barakat, I, Wang, W, Agama, K, Al Mahmud, M.R, Pommier, Y, Burke Jr, T.R. | | Deposit date: | 2023-11-16 | | Release date: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (1.846 Å) | | Cite: | Structure of TDP1 catalytic domain complexed with compound IB02
To Be Published
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7Y21
 | | S-ECD (Omicron BA.5) in complex with PD of ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | | Authors: | Li, Y.N, Shen, Y.P, Zhang, Y.Y, Yan, R.H. | | Deposit date: | 2022-06-09 | | Release date: | 2023-08-09 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural Basis for the Enhanced Infectivity and Immune Evasion of Omicron Subvariants.
Viruses, 15, 2023
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6F6B
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8UZZ
 | | Structure of TDP1 catalytic domain complexed with compound IB03 | | Descriptor: | (8M)-8-{2-[(fluorosulfonyl)oxy]phenyl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Lountos, G.T, Zhao, X.Z, Barakat, I, Wang, W, Agama, K, Al Mahmud, M.R, Pommier, Y, Burke Jr, T.R. | | Deposit date: | 2023-11-16 | | Release date: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structureal analysis of TDP1 in complex with inhbitors
To Be Published
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8UV1
 | | Structure of TDP1 complexed with compound IB01 | | Descriptor: | 1,2-ETHANEDIOL, 8-(fluorosulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | | Authors: | Lountos, G.T, Zhao, X.Z, Barakat, I, Wang, W, Agama, K, Al Mahmud, M.R, Pommier, Y, Burke, T.R. | | Deposit date: | 2023-11-02 | | Release date: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structure of TDP1 complexed with compound IB01
To Be Published
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4QX7
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6PJ9
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8V0B
 | | Structure of TDP1 catalytic domain complexed with compound IB05 | | Descriptor: | 1,2-ETHANEDIOL, 8-{4-[(fluorosulfonyl)oxy]phenyl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Lountos, G.T, Zhao, X.Z, Barakat, I, Wang, W, Agama, K, Al Mahmud, M.R, Pommier, Y, Burke Jr, T.R. | | Deposit date: | 2023-11-17 | | Release date: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structures of TDP1 complexed with inhibitors
To Be Published
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5DUW
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8V0C
 | | Structure of TDP1 catalytic domain complexed with compound IB06 | | Descriptor: | (8M)-8-(2-{[2-(fluorosulfonyl)ethyl]amino}phenyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Lountos, G.T, Zhao, X.Z, Barakat, I, Wang, W, Agama, K, Al Mahmud, M.R, Pommier, Y, Burke Jr, T.R. | | Deposit date: | 2023-11-17 | | Release date: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Structures of TDP1 complexed with inhibitors
To Be Published
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6FCJ
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6FCT
 | | Catalytic subunit HisG from Psychrobacter arcticus ATP phosphoribosyltransferase (HisZG ATPPRT) in complex with PRPP and ATP | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, ADENOSINE-5'-TRIPHOSPHATE, ATP phosphoribosyltransferase, ... | | Authors: | Alphey, M.S, Ge, Y, Fisher, G, Czekster, C.M, Naismith, J.H, da Silva, R.G. | | Deposit date: | 2017-12-21 | | Release date: | 2018-10-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Catalytic and Anticatalytic Snapshots of a Short-Form ATP Phosphoribosyltransferase
Acs Catalysis, 2018
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8S65
 | | 1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR) as target for anti Toxoplasma gondii compounds: crystal structure, biochemical characterization and biological evaluation of inhibitors | | Descriptor: | 1-deoxy-D-xylulose-5-phosphate reductoisomerase, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, CHLORIDE ION, ... | | Authors: | Mazzone, F, Hoeppner, A, Reiners, J, Applegate, V, Abdullaziz, M, Gottstein, J, Wesemann, M, Kurz, T, Smits, S.H, Pfeffer, K. | | Deposit date: | 2024-02-26 | | Release date: | 2024-08-21 | | Last modified: | 2024-09-04 | | Method: | SOLUTION SCATTERING (2.56 Å), X-RAY DIFFRACTION | | Cite: | 1-Deoxy-d-xylulose 5-phosphate reductoisomerase as target for anti Toxoplasma gondii agents: crystal structure, biochemical characterization and biological evaluation of inhibitors.
Biochem.J., 481, 2024
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8WCS
 | | Cryo-EM structure of Cas13h1-crRNA binary complex | | Descriptor: | 66-nt crRNA, Cas13h1, MAGNESIUM ION | | Authors: | Zhang, C. | | Deposit date: | 2023-09-13 | | Release date: | 2024-05-22 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Molecular mechanism for target RNA recognition and cleavage of Cas13h.
Nucleic Acids Res., 52, 2024
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6PML
 | | Crystal Structure of EcDsbA in complex benzyl ether 23 | | Descriptor: | COPPER (II) ION, DI(HYDROXYETHYL)ETHER, Thiol:disulfide interchange protein DsbA, ... | | Authors: | Ilyichova, O.V, Scanlon, M.J. | | Deposit date: | 2019-07-02 | | Release date: | 2019-11-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Fragment-Based Development of a Benzofuran Hit as a New Class of Escherichia coli DsbA Inhibitors.
Molecules, 24, 2019
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4RCT
 | | Crystal structure of R-protein of NgoAVII restriction endonuclease | | Descriptor: | Restriction endonuclease R.NgoVII | | Authors: | Tamulaitiene, G, Silanskas, A, Grazulis, S, Zaremba, M, Siksnys, V. | | Deposit date: | 2014-09-17 | | Release date: | 2014-12-24 | | Last modified: | 2014-12-31 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structure of the R-protein of the multisubunit ATP-dependent restriction endonuclease NgoAVII.
Nucleic Acids Res., 42, 2014
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4RD9
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4R5C
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