7PLR
 
 | | Crystal structure of the N-terminal endonuclease domain of La Crosse virus L-protein bound to compound Baloxavir | | Descriptor: | Baloxavir acid, FORMIC ACID, GLYCEROL, ... | | Authors: | Feracci, M, Hernandez, S, Vincentelli, R, Ferron, F, Reguera, J, Canard, B, Alvarez, K. | | Deposit date: | 2021-09-01 | | Release date: | 2022-09-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Crystal structure of the N-terminal endonuclease domain of La Crosse virus L-protein bound to compound Baloxavir
To Be Published
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6GWV
 | | Molybdenum storage protein without polymolybdate clusters and ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Molybdenum storage protein subunit alpha, ... | | Authors: | Ermler, U, Poppe, J, Bruenle, S. | | Deposit date: | 2018-06-26 | | Release date: | 2018-11-07 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The Molybdenum Storage Protein: A soluble ATP hydrolysis-dependent molybdate pump.
FEBS J., 285, 2018
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4QZ9
 | | Mouse Tdt in complex with a DSB substrate, C-A base pair | | Descriptor: | 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 5'-D(*AP*AP*AP*AP*AP*C)-3', 5'-D(*TP*TP*TP*TP*TP*GP*A)-3', ... | | Authors: | Gouge, J, Delarue, M. | | Deposit date: | 2014-07-27 | | Release date: | 2015-06-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural basis for a novel mechanism of DNA bridging and alignment in eukaryotic DSB DNA repair.
Embo J., 34, 2015
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4QZE
 | | Mouse Tdt, F401A mutant, in complex with a DSB substrate, C-G base pair | | Descriptor: | 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 5'-D(*AP*AP*AP*AP*AP*C)-3', 5'-D(*TP*TP*TP*TP*TP*GP*GP*G)-3', ... | | Authors: | Gouge, J, Delarue, M. | | Deposit date: | 2014-07-27 | | Release date: | 2015-06-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural basis for a novel mechanism of DNA bridging and alignment in eukaryotic DSB DNA repair.
Embo J., 34, 2015
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2JD3
 | | ParR from plasmid pB171 | | Descriptor: | STBB PROTEIN | | Authors: | Moller-Jensen, J, Lowe, J. | | Deposit date: | 2007-01-04 | | Release date: | 2007-10-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Analysis of the Parr/Parc Plasmid Partition Complex.
Embo J., 26, 2007
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4QZI
 | | Mouse Tdt, F401A mutant, in complex with a DSB substrate and Zn2+ | | Descriptor: | 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 5'-D(*AP*AP*AP*AP*AP*C)-3', 5'-D(*TP*TP*TP*TP*TP*GP*GP*G)-3', ... | | Authors: | Gouge, J, Delarue, M. | | Deposit date: | 2014-07-27 | | Release date: | 2015-06-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural basis for a novel mechanism of DNA bridging and alignment in eukaryotic DSB DNA repair.
Embo J., 34, 2015
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3J0P
 | | Core of mammalian 80S pre-ribosome in complex with tRNAs fitted to a 10.6A cryo-em map: rotated PRE state 1 | | Descriptor: | 40S ribosomal RNA fragment, 60S ribosomal RNA fragment, Ribosomal protein L10a, ... | | Authors: | Budkevich, T, Giesebrecht, J, Altman, R, Munro, J, Mielke, T, Nierhaus, K, Blanchard, S, Spahn, C.M. | | Deposit date: | 2011-10-06 | | Release date: | 2011-11-16 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (10.6 Å) | | Cite: | Structure and dynamics of the Mammalian ribosomal pretranslocation complex.
Mol.Cell, 44, 2011
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7Q5D
 | | Structure of EPCR in a non-canonical conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CYSTEINE, Endothelial protein C receptor, ... | | Authors: | Lopez-Sagaseta, J, Erausquin, E. | | Deposit date: | 2021-11-03 | | Release date: | 2022-09-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of EPCR in a non-canonical conformation
Biorxiv, 2021
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7PQI
 | | Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with novobiocin | | Descriptor: | 1,2-ETHANEDIOL, DNA gyrase subunit B, NOVOBIOCIN | | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | | Deposit date: | 2021-09-17 | | Release date: | 2022-09-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
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7PQM
 | | Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with EBL2888 | | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, DNA gyrase subunit B | | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | | Deposit date: | 2021-09-17 | | Release date: | 2022-09-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
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7PQL
 | | Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with EBL2704 | | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1R)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B | | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | | Deposit date: | 2021-09-17 | | Release date: | 2022-09-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
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3N6W
 | | Crystal structure of human gamma-butyrobetaine hydroxylase | | Descriptor: | Gamma-butyrobetaine dioxygenase, SULFATE ION, ZINC ION | | Authors: | Rumnieks, J, Zeltins, A, Leonchiks, A, Kazaks, A, Kotelovica, S, Tars, K. | | Deposit date: | 2010-05-26 | | Release date: | 2010-07-21 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of human gamma-butyrobetaine hydroxylase.
Biochem.Biophys.Res.Commun., 398, 2010
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7WPT
 | | Methionyl-tRNA synthetase from Staphylococcus aureus complexed with a fragment M2-80 and ATP | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... | | Authors: | Yi, J, Cai, Z, Qiu, H, Lu, F, Chen, B, Luo, Z, Gu, Q, Xu, J, Zhou, H. | | Deposit date: | 2022-01-24 | | Release date: | 2022-04-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Fragment screening and structural analyses highlight the ATP-assisted ligand binding for inhibitor discovery against type 1 methionyl-tRNA synthetase.
Nucleic Acids Res., 50, 2022
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3WUE
 | | The wild type crystal structure of b-1,4-Xylanase (XynAS9) with xylobiose from Streptomyces sp. 9 | | Descriptor: | Endo-1,4-beta-xylanase A, ZINC ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | | Authors: | Chen, C.C, Han, X, Lv, P, Ko, T.P, Peng, W, Huang, C.H, Zheng, Y, Gao, J, Yang, Y, Guo, R.T. | | Deposit date: | 2014-04-23 | | Release date: | 2014-10-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural perspectives of an engineered beta-1,4-xylanase with enhanced thermostability.
J.Biotechnol., 189C, 2014
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2OC0
 | | Structure of NS3 complexed with a ketoamide inhibitor SCh491762 | | Descriptor: | BETA-MERCAPTOETHANOL, Hepatitis C Virus, Hepatitis C virus, ... | | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | | Deposit date: | 2006-12-20 | | Release date: | 2007-07-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
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6H63
 | | Semisynthetic [FeFe]-hydrogenase CpI with ethanedithiolate [2Fe] cofactor | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, Iron hydrogenase 1, ... | | Authors: | Duan, J, Winkler, M, Hofmann, E, Happe, T. | | Deposit date: | 2018-07-26 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Geometry of the Catalytic Active Site in [FeFe]-Hydrogenase Is Determined by Hydrogen Bonding and Proton Transfer
Acs Catalysis, 2019
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7WPK
 | | Methionyl-tRNA synthetase from Staphylococcus aureus complexed with L-Met | | Descriptor: | METHIONINE, Methionine--tRNA ligase | | Authors: | Yi, J, Cai, Z, Qiu, H, Lu, F, Chen, B, Luo, Z, Gu, Q, Xu, J, Zhou, H. | | Deposit date: | 2022-01-24 | | Release date: | 2022-04-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Fragment screening and structural analyses highlight the ATP-assisted ligand binding for inhibitor discovery against type 1 methionyl-tRNA synthetase.
Nucleic Acids Res., 50, 2022
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7WPX
 | | Methionyl-tRNA synthetase from Staphylococcus aureus complexed with a fragment and ATP | | Descriptor: | 1,2-ETHANEDIOL, 6-chloranylimidazo[2,1-b][1,3]thiazole, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Yi, J, Cai, Z, Qiu, H, Lu, F, Chen, B, Luo, Z, Gu, Q, Xu, J, Zhou, H. | | Deposit date: | 2022-01-24 | | Release date: | 2022-04-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Fragment screening and structural analyses highlight the ATP-assisted ligand binding for inhibitor discovery against type 1 methionyl-tRNA synthetase.
Nucleic Acids Res., 50, 2022
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7PSX
 | | Structure of HOXB13 bound to hydroxymethylated DNA | | Descriptor: | DNA (5'-D(P*GP*GP*AP*CP*CP*TP*5HCP*AP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*CP*GP*AP*GP*GP*TP*CP*C)-3'), Homeobox protein Hox-B13, ... | | Authors: | Morgunova, E, Popov, A, Yin, Y, Taipale, J. | | Deposit date: | 2021-09-24 | | Release date: | 2022-10-05 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of HOXB13 bound to hydroxymethylated DNA
To Be Published
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3WL6
 | | Crystal Structure of pOPH Native | | Descriptor: | CITRIC ACID, Oxidized polyvinyl alcohol hydrolase | | Authors: | Yang, Y, Ko, T.P, Li, J.H, Liu, L, Huang, C.H, Chan, H.C, Ren, F.F, Jia, D.X, Wang, A.H.-J, Guo, R.T, Chen, J, Du, G.C. | | Deposit date: | 2013-11-08 | | Release date: | 2014-09-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural insights into enzymatic degradation of oxidized polyvinyl alcohol
Chembiochem, 15, 2014
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4R4S
 | | Crystal structure of chimeric beta-lactamase cTEM-19m at 1.1 angstrom resolution | | Descriptor: | Beta-lactamase TEM,Beta-lactamase PSE-4, CHLORIDE ION, MAGNESIUM ION | | Authors: | Park, J, Gobeil, S, Pelletier, J.N, Berghuis, A.M. | | Deposit date: | 2014-08-19 | | Release date: | 2015-11-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | The Structural Dynamics of Engineered beta-Lactamases Vary Broadly on Three Timescales yet Sustain Native Function.
Sci Rep, 9, 2019
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7WPM
 | | Methionyl-tRNA synthetase from Staphylococcus aureus complexed with a fragment and ATP | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Methionine--tRNA ligase, ... | | Authors: | Yi, J, Cai, Z, Qiu, H, Lu, F, Chen, B, Luo, Z, Gu, Q, Xu, J, Zhou, H. | | Deposit date: | 2022-01-24 | | Release date: | 2022-04-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Fragment screening and structural analyses highlight the ATP-assisted ligand binding for inhibitor discovery against type 1 methionyl-tRNA synthetase.
Nucleic Acids Res., 50, 2022
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7WQ0
 | | Methionyl-tRNA synthetase from Staphylococcus aureus complexed with a fragment and ATP | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Methionine--tRNA ligase, ... | | Authors: | Yi, J, Cai, Z, Qiu, H, Lu, F, Chen, B, Luo, Z, Gu, Q, Xu, J, Zhou, H. | | Deposit date: | 2022-01-24 | | Release date: | 2022-04-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Fragment screening and structural analyses highlight the ATP-assisted ligand binding for inhibitor discovery against type 1 methionyl-tRNA synthetase.
Nucleic Acids Res., 50, 2022
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4QTK
 | | Complex of WOPR domain of Wor1 in Candida albicans with the 17bp dsDNA | | Descriptor: | DNA (5'-D(*AP*AP*GP*TP*TP*AP*AP*AP*CP*TP*TP*TP*TP*TP*TP*GP*A)-3'), DNA (5'-D(*TP*CP*AP*AP*AP*AP*AP*AP*GP*TP*TP*TP*AP*AP*CP*TP*T)-3'), White-opaque regulator 1 | | Authors: | Zhang, S, Zhang, T, Ding, J. | | Deposit date: | 2014-07-08 | | Release date: | 2014-08-13 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Crystal structure of the WOPR-DNA complex and implications for Wor1 function in white-opaque switching of Candida albicans.
Cell Res., 24, 2014
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6HU8
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