3EY2
 
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6K7Q
 | | Crystal structure of thymidylate synthase from shrimp | | Descriptor: | SULFATE ION, Thymidylate synthase | | Authors: | Ma, Q, Zang, K, Liu, C. | | Deposit date: | 2019-06-08 | | Release date: | 2020-06-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Structural analysis of a shrimp thymidylate synthase reveals species-specific interactions with dUMP and raltitrexed.
J Oceanol Limnol, 38, 2020
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5ARG
 | | SMYD2 in complex with SGC probe BAY-598 | | Descriptor: | GLYCEROL, N-LYSINE METHYLTRANSFERASE SMYD2, N-[1-(N'-CYANO-N-[3-(DIFLUOROMETHOXY)PHENYL]CARBAMIMIDOYL)-3-(3,4-DICHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-4-YL]-N-ETHYL-2-HYDROXYACETAMIDE, ... | | Authors: | Hillig, R.C, Badock, V, Barak, N, Stellfeld, T, Eggert, E, ter Laak, A, Weiske, J, Christ, C.D, Koehr, S, Stoeckigt, D, Mowat, J, Mueller, T, Fernandez-Montalvan, A.E, Hartung, I.V, Stresemann, C, Brumby, T, Weinmann, H. | | Deposit date: | 2015-09-24 | | Release date: | 2016-04-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (Bay-598) for the Protein Lysine Methyltransferase Smyd2.
J.Med.Chem., 59, 2016
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5B88
 | | RRM-like domain of DEAD-box protein, CsdA | | Descriptor: | ATP-dependent RNA helicase DeaD | | Authors: | Xu, L, Peng, J, Zhang, J, Wu, J, Tang, Y, Shi, Y. | | Deposit date: | 2016-06-13 | | Release date: | 2017-05-31 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Insights into the Structure of Dimeric RNA Helicase CsdA and Indispensable Role of Its C-Terminal Regions.
Structure, 25, 2017
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5ARF
 | | SMYD2 in complex with small molecule inhibitor compound-2 | | Descriptor: | N-LYSINE METHYLTRANSFERASE SMYD2, N-[3-(4-CHLOROPHENYL)-1-{N'-CYANO-N-[3-(DIFLUOROMETHOXY)PHENYL]CARBAMIMIDOYL}-4,5-DIHYDRO-1H- PYRAZOL-4-YL]-N-ETHYL-2-HYDROXYACETAMIDE, S-ADENOSYLMETHIONINE, ... | | Authors: | Hillig, R.C, Badock, V, Barak, N, Stellfeld, T, Eggert, E, ter Laak, A, Weiske, J, Christ, C.D, Koehr, S, Stoeckigt, D, Mowat, J, Mueller, T, Fernandez-Montalvan, A.E, Hartung, I.V, Stresemann, C, Brumby, T, Weinmann, H. | | Deposit date: | 2015-09-24 | | Release date: | 2016-04-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (Bay-598) for the Protein Lysine Methyltransferase Smyd2.
J.Med.Chem., 59, 2016
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7CQQ
 | | GmaS in complex with AMPPNP and MetSox | | Descriptor: | (2S)-2-AMINO-4-(METHYLSULFONIMIDOYL)BUTANOIC ACID, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Li, C.Y, Zhang, Y.Z. | | Deposit date: | 2020-08-11 | | Release date: | 2020-11-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.295 Å) | | Cite: | Crystal structures of gamma-glutamylmethylamide synthetase provide insight into bacterial metabolism of oceanic monomethylamine.
J.Biol.Chem., 296, 2020
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7CQN
 | | GmaS in complex with AMPPCP | | Descriptor: | PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Type III glutamate--ammonia ligase | | Authors: | Li, C.Y, Zhang, Y.Z. | | Deposit date: | 2020-08-11 | | Release date: | 2020-11-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.962 Å) | | Cite: | Crystal structures of gamma-glutamylmethylamide synthetase provide insight into bacterial metabolism of oceanic monomethylamine.
J.Biol.Chem., 296, 2020
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7CQL
 | | Apo GmaS without ligand | | Descriptor: | Type III glutamate--ammonia ligase | | Authors: | Li, C.Y, Zhang, Y.Z. | | Deposit date: | 2020-08-11 | | Release date: | 2020-11-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.801 Å) | | Cite: | Crystal structures of gamma-glutamylmethylamide synthetase provide insight into bacterial metabolism of oceanic monomethylamine.
J.Biol.Chem., 296, 2020
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7CQU
 | | GmaS/ADP/MetSox-P complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, L-METHIONINE-S-SULFOXIMINE PHOSPHATE, MAGNESIUM ION, ... | | Authors: | Li, C.Y, Zhang, Y.Z. | | Deposit date: | 2020-08-11 | | Release date: | 2020-11-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Crystal structures of gamma-glutamylmethylamide synthetase provide insight into bacterial metabolism of oceanic monomethylamine.
J.Biol.Chem., 296, 2020
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7CM9
 | | DMSP lyase DddX | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DMSP lyase, SULFATE ION | | Authors: | Li, C.Y, Zhang, Y.Z. | | Deposit date: | 2020-07-25 | | Release date: | 2021-05-19 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.249 Å) | | Cite: | A novel ATP dependent dimethylsulfoniopropionate lyase in bacteria that releases dimethyl sulfide and acryloyl-CoA.
Elife, 10, 2021
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7CQX
 | | GmaS/ADP complex-Conformation 2 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Type III glutamate--ammonia ligase | | Authors: | Li, C.Y, Zhang, Y.Z. | | Deposit date: | 2020-08-11 | | Release date: | 2020-11-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Crystal structures of gamma-glutamylmethylamide synthetase provide insight into bacterial metabolism of oceanic monomethylamine.
J.Biol.Chem., 296, 2020
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7CQW
 | | GmaS/ADP complex-Conformation 1 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Type III glutamate--ammonia ligase | | Authors: | Li, C.Y, Zhang, Y.Z. | | Deposit date: | 2020-08-11 | | Release date: | 2020-11-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.297 Å) | | Cite: | Crystal structures of gamma-glutamylmethylamide synthetase provide insight into bacterial metabolism of oceanic monomethylamine.
J.Biol.Chem., 296, 2020
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5VSF
 | | Structure of human GLP SET-domain (EHMT1) in complex with inhibitor 17 | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, GLYCEROL, Histone-lysine N-methyltransferase EHMT1, ... | | Authors: | Babault, N, Xiong, Y, Liu, J, Jin, J. | | Deposit date: | 2017-05-11 | | Release date: | 2017-07-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-activity relationship studies of G9a-like protein (GLP) inhibitors.
Bioorg. Med. Chem., 25, 2017
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5VSE
 | | Structure of human G9a SET-domain (EHMT2) in complex with inhibitor 17: N~2~-cyclopentyl-6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine | | Descriptor: | Histone-lysine N-methyltransferase EHMT2, N~2~-cyclopentyl-6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine, S-ADENOSYLMETHIONINE, ... | | Authors: | Babault, N, Xiong, Y, Liu, J, Jin, J. | | Deposit date: | 2017-05-11 | | Release date: | 2017-07-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-activity relationship studies of G9a-like protein (GLP) inhibitors.
Bioorg. Med. Chem., 25, 2017
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5H06
 | | Crystal structure of AmyP in complex with maltose | | Descriptor: | AmyP, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | He, C, Liu, Y. | | Deposit date: | 2016-10-03 | | Release date: | 2017-08-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of a raw-starch-degrading bacterial alpha-amylase belonging to subfamily 37 of the glycoside hydrolase family GH13
Sci Rep, 7, 2017
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5H1U
 | | Complex structure of TRIM24 PHD-bromodomain and inhibitor 2 | | Descriptor: | 2-amino-1,3-benzothiazole-6-carboxamide, DIMETHYL SULFOXIDE, Transcription intermediary factor 1-alpha, ... | | Authors: | Liu, J. | | Deposit date: | 2016-10-11 | | Release date: | 2017-02-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | The polar warhead of a TRIM24 bromodomain inhibitor rearranges a water-mediated interaction network
FEBS J., 284, 2017
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5VSD
 | | Structure of human GLP SET-domain (EHMT1) in complex with inhibitor 13 | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)-N~2~-propylquinazoline-2,4-diamine, GLYCEROL, ... | | Authors: | Babault, N, Xiong, Y, Liu, J, Jin, J. | | Deposit date: | 2017-05-11 | | Release date: | 2017-07-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-activity relationship studies of G9a-like protein (GLP) inhibitors.
Bioorg. Med. Chem., 25, 2017
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5H1T
 | | Complex structure of TRIM24 PHD-bromodomain and inhibitor 1 | | Descriptor: | DIMETHYL SULFOXIDE, Transcription intermediary factor 1-alpha, ZINC ION, ... | | Authors: | Liu, J. | | Deposit date: | 2016-10-11 | | Release date: | 2017-02-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.951 Å) | | Cite: | The polar warhead of a TRIM24 bromodomain inhibitor rearranges a water-mediated interaction network
FEBS J., 284, 2017
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5H05
 | | Crystal structure of AmyP E221Q in complex with MALTOTRIOSE | | Descriptor: | AmyP, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | He, C, Liu, Y. | | Deposit date: | 2016-10-03 | | Release date: | 2017-08-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Crystal structure of a raw-starch-degrading bacterial alpha-amylase belonging to subfamily 37 of the glycoside hydrolase family GH13
Sci Rep, 7, 2017
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5H1D
 | | Crystal structure of C-terminal of RhoGDI2 | | Descriptor: | Rho GDP-dissociation inhibitor 2 | | Authors: | Liu, J. | | Deposit date: | 2016-10-08 | | Release date: | 2016-10-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.494 Å) | | Cite: | NMR characterization of weak interactions between RhoGDI2 and fragment screening hits.
Biochim. Biophys. Acta, 1861, 2017
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5GMQ
 | | Structure of MERS-CoV RBD in complex with a fully human antibody MCA1 | | Descriptor: | 1,2-ETHANEDIOL, MCA1 heavy chain, MCA1 light chain, ... | | Authors: | Chen, C, Wang, J.M, Zou, T.T, Gao, X.P, Cui, S, Jin, Q. | | Deposit date: | 2016-07-15 | | Release date: | 2017-05-31 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.703 Å) | | Cite: | Human Neutralizing Monoclonal Antibody Inhibition of Middle East Respiratory Syndrome Coronavirus Replication in the Common Marmoset.
J. Infect. Dis., 215, 2017
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5H1V
 | | Complex structure of TRIM24 PHD-bromodomain and inhibitor 6 | | Descriptor: | 2-Hydrazino-1,3-benzothiazole-6-carbohydrazide, DIMETHYL SULFOXIDE, Transcription intermediary factor 1-alpha, ... | | Authors: | Liu, J. | | Deposit date: | 2016-10-11 | | Release date: | 2017-02-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.002 Å) | | Cite: | The polar warhead of a TRIM24 bromodomain inhibitor rearranges a water-mediated interaction network
FEBS J., 284, 2017
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8U10
 | | In situ cryo-EM structure of bacteriophage P22 gp1:gp4:gp5:gp10:gp9 N-term complex in conformation 1 at 3.2A resolution | | Descriptor: | Major capsid protein, Packaged DNA stabilization protein gp10, Peptidoglycan hydrolase gp4, ... | | Authors: | Iglesias, S, Feng-Hou, C, Cingolani, G. | | Deposit date: | 2023-08-30 | | Release date: | 2023-11-22 | | Last modified: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Molecular Architecture of Salmonella Typhimurium Virus P22 Genome Ejection Machinery.
J.Mol.Biol., 435, 2023
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8U11
 | | In situ cryo-EM structure of bacteriophage P22 gp1:gp5:gp4: gp10: gp9 N-term complex in conformation 2 at 3.1A resolution | | Descriptor: | Major capsid protein, Packaged DNA stabilization protein gp10, Peptidoglycan hydrolase gp4, ... | | Authors: | Iglesias, S, Feng-Hou, C, Cingolani, G. | | Deposit date: | 2023-08-30 | | Release date: | 2023-11-22 | | Last modified: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Molecular Architecture of Salmonella Typhimurium Virus P22 Genome Ejection Machinery.
J.Mol.Biol., 435, 2023
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8TVU
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