4U5V
| IMPORTIN-ALPHA MINOR NLS SITE INHIBITOR | Descriptor: | Importin subunit alpha-1, N~2~-{[5-(pyridin-3-yl)thiophen-2-yl]methyl}-L-lysinamide | Authors: | Stewart, M, Valkov, E, Holvey, R.S. | Deposit date: | 2014-07-25 | Release date: | 2015-05-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.968 Å) | Cite: | Selective Targeting of the TPX2 Site of Importin-alpha Using Fragment-Based Ligand Design. Chemmedchem, 10, 2015
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4U5N
| IMPORTIN-ALPHA MINOR NLS SITE INHIBITOR | Descriptor: | Importin subunit alpha-1, N~2~-[4-(pyridin-3-yl)benzyl]-L-lysyl-N-[(1R,2S,3R)-1-{[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino}-1,3-dihydroxybutan-2-yl]glycinamide | Authors: | Stewart, M, Valkov, E, Holvey, R.S. | Deposit date: | 2014-07-25 | Release date: | 2015-05-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Selective Targeting of the TPX2 Site of Importin-alpha Using Fragment-Based Ligand Design. Chemmedchem, 10, 2015
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4U5S
| IMPORTIN-ALPHA MINOR NLS SITE INHIBITOR | Descriptor: | Importin subunit alpha-1, N-[(2S)-2-[(N~2~-acetyl-D-lysyl)amino]-3-(pyridin-3-ylmethoxy)propyl]-L-allothreonyl-D-phenylalaninamide | Authors: | Stewart, M, Valkov, E, Holvey, R.S. | Deposit date: | 2014-07-25 | Release date: | 2015-05-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Selective Targeting of the TPX2 Site of Importin-alpha Using Fragment-Based Ligand Design. Chemmedchem, 10, 2015
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4U54
| IMPORTIN-ALPHA MINOR NLS SITE INHIBITOR | Descriptor: | Importin subunit alpha-1, N-methyl-1-[3-(pyridin-3-yl)phenyl]methanamine | Authors: | Stewart, M, Valkov, E, Holvey, R.S. | Deposit date: | 2014-07-24 | Release date: | 2015-05-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Selective Targeting of the TPX2 Site of Importin-alpha Using Fragment-Based Ligand Design. Chemmedchem, 10, 2015
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4U5U
| IMPORTIN-ALPHA MINOR NLS SITE INHIBITOR | Descriptor: | Importin subunit alpha-1, N~2~-[3-(pyridin-3-yl)benzyl]-L-lysinamide | Authors: | Stewart, M, Valkov, E, Holvey, R.S. | Deposit date: | 2014-07-25 | Release date: | 2015-05-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Selective Targeting of the TPX2 Site of Importin-alpha Using Fragment-Based Ligand Design. Chemmedchem, 10, 2015
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4U58
| IMPORTIN-ALPHA MINOR NLS SITE INHIBITOR | Descriptor: | Importin subunit alpha-1, N~2~-[4-(pyridin-3-yl)benzoyl]-L-lysinamide | Authors: | Stewart, M, Valkov, E, Holvey, R.S. | Deposit date: | 2014-07-24 | Release date: | 2015-05-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Selective Targeting of the TPX2 Site of Importin-alpha Using Fragment-Based Ligand Design. Chemmedchem, 10, 2015
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4U5O
| IMPORTIN-ALPHA MINOR NLS SITE INHIBITOR | Descriptor: | Importin subunit alpha-1, N~2~-[4-(pyridin-3-yl)benzyl]-D-lysinamide | Authors: | Stewart, M, Valkov, E, Holvey, R.S. | Deposit date: | 2014-07-25 | Release date: | 2015-05-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Selective Targeting of the TPX2 Site of Importin-alpha Using Fragment-Based Ligand Design. Chemmedchem, 10, 2015
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5WXI
| EarP bound with dTDP-rhamnose (soaked) | Descriptor: | 2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE, BETA-MERCAPTOETHANOL, EarP, ... | Authors: | Sengoku, T, Yokoyama, S, Yanagisawa, T. | Deposit date: | 2017-01-07 | Release date: | 2018-02-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of protein arginine rhamnosylation by glycosyltransferase EarP Nat. Chem. Biol., 14, 2018
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5WXK
| EarP bound with domain I of EF-P | Descriptor: | BETA-MERCAPTOETHANOL, EarP, Elongation factor P, ... | Authors: | Sengoku, T, Yokoyama, S, Yanagisawa, T. | Deposit date: | 2017-01-07 | Release date: | 2018-02-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Structural basis of protein arginine rhamnosylation by glycosyltransferase EarP Nat. Chem. Biol., 14, 2018
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8QIX
| Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor | Descriptor: | 3-(3-methylindol-1-yl)-~{N}-(4-phenoxyphenyl)sulfonyl-propanamide, Phosphopantetheine adenylyltransferase | Authors: | Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L. | Deposit date: | 2023-09-12 | Release date: | 2024-07-24 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (1.579 Å) | Cite: | A Fragment-Based Competitive 19 F LB-NMR Platform For Hotspot-Directed Ligand Profiling. Angew.Chem.Int.Ed.Engl., 63, 2024
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8QID
| Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with fragment | Descriptor: | 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid, Phosphopantetheine adenylyltransferase | Authors: | Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L. | Deposit date: | 2023-09-12 | Release date: | 2024-07-24 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | A Fragment-Based Competitive 19 F LB-NMR Platform For Hotspot-Directed Ligand Profiling. Angew.Chem.Int.Ed.Engl., 63, 2024
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8QIY
| Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor | Descriptor: | 1-(2-aminophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid, Phosphopantetheine adenylyltransferase | Authors: | Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L. | Deposit date: | 2023-09-12 | Release date: | 2024-07-24 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (1.5149 Å) | Cite: | A Fragment-Based Competitive 19 F LB-NMR Platform For Hotspot-Directed Ligand Profiling. Angew.Chem.Int.Ed.Engl., 63, 2024
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8QJ8
| Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor | Descriptor: | 3-[3-(3-azanyl-2-cyano-phenyl)indol-1-yl]propanoic acid, Phosphopantetheine adenylyltransferase | Authors: | Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L. | Deposit date: | 2023-09-12 | Release date: | 2024-07-24 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (1.538 Å) | Cite: | A Fragment-Based Competitive 19 F LB-NMR Platform For Hotspot-Directed Ligand Profiling. Angew.Chem.Int.Ed.Engl., 63, 2024
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5XVR
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6MJY
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8OUW
| Cryo-EM structure of CMG helicase bound to TIM-1/TIPN-1 and homodimeric DNSN-1 on fork DNA (Caenorhabditis elegans) | Descriptor: | Cell division control protein 45 homolog, DNA Lagging Strand Template, DNA Leading Strand Template, ... | Authors: | Jenkyn-Bedford, M, Yeeles, J.T.P, Labib, K.P.M. | Deposit date: | 2023-04-25 | Release date: | 2023-08-16 | Last modified: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (3.75 Å) | Cite: | DNSN-1 recruits GINS for CMG helicase assembly during DNA replication initiation in Caenorhabditis elegans. Science, 381, 2023
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5ZC9
| Crystal structure of the human eIF4A1-ATP analog-RocA-polypurine RNA complex | Descriptor: | (1R,2R,3S,3aR,8bS)-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-1,8b-bis(oxidanyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide, Eukaryotic initiation factor 4A-I, MAGNESIUM ION, ... | Authors: | Iwasaki, W, Takahashi, M, Sakamoto, A, Iwasaki, S, Ito, T. | Deposit date: | 2018-02-16 | Release date: | 2019-01-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Translation Inhibitor Rocaglamide Targets a Bimolecular Cavity between eIF4A and Polypurine RNA. Mol. Cell, 73, 2019
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6NM9
| CryoEM structure of the LbCas12a-crRNA-AcrVA4 dimer | Descriptor: | AcrVA4, Cpf1, MAGNESIUM ION, ... | Authors: | Chang, L, Li, Z, Zhang, H. | Deposit date: | 2019-01-10 | Release date: | 2019-06-12 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.38 Å) | Cite: | Structural Basis for the Inhibition of CRISPR-Cas12a by Anti-CRISPR Proteins. Cell Host Microbe, 25, 2019
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5YWX
| Crystal structure of hematopoietic prostaglandin D synthase in complex with F092 | Descriptor: | GLUTATHIONE, GLYCEROL, Hematopoietic prostaglandin D synthase, ... | Authors: | Kamo, M, Furubayashi, N, Inaka, K, Aritake, K, Omura, A, Tanaka, A. | Deposit date: | 2017-11-30 | Release date: | 2018-09-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Characterization of crystal water molecules in a high-affinity inhibitor and hematopoietic prostaglandin D synthase complex by interaction energy studies. Bioorg. Med. Chem., 26, 2018
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6NME
| Structure of LbCas12a-crRNA | Descriptor: | Cpf1, MAGNESIUM ION, crRNA | Authors: | Chang, L, Li, Z, Zhang, H. | Deposit date: | 2019-01-10 | Release date: | 2019-06-12 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (5.67 Å) | Cite: | Structural Basis for the Inhibition of CRISPR-Cas12a by Anti-CRISPR Proteins. Cell Host Microbe, 25, 2019
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5WXJ
| Apo EarP | Descriptor: | BETA-MERCAPTOETHANOL, EarP, GLYCEROL, ... | Authors: | Sengoku, T, Yokoyama, S, Yanagisawa, T. | Deposit date: | 2017-01-07 | Release date: | 2018-02-28 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis of protein arginine rhamnosylation by glycosyltransferase EarP Nat. Chem. Biol., 14, 2018
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6NMC
| CryoEM structure of the LbCas12a-crRNA-2xAcrVA1 complex | Descriptor: | AcrVA1, Cpf1, MAGNESIUM ION, ... | Authors: | Chang, L, Li, Z, Zhang, H. | Deposit date: | 2019-01-10 | Release date: | 2019-06-12 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.24 Å) | Cite: | Structural Basis for the Inhibition of CRISPR-Cas12a by Anti-CRISPR Proteins. Cell Host Microbe, 25, 2019
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6NMD
| cryo-EM Structure of the LbCas12a-crRNA-AcrVA1 complex | Descriptor: | AcrVA1, Cpf1, MAGNESIUM ION, ... | Authors: | Chang, L, Li, Z, Zhang, H. | Deposit date: | 2019-01-10 | Release date: | 2019-06-12 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.49 Å) | Cite: | Structural Basis for the Inhibition of CRISPR-Cas12a by Anti-CRISPR Proteins. Cell Host Microbe, 25, 2019
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6NMA
| CryoEM structure of the LbCas12a-crRNA-AcrVA4 complex | Descriptor: | AcrVA1, Cpf1, MAGNESIUM ION, ... | Authors: | Chang, L, Li, Z, Zhang, H. | Deposit date: | 2019-01-10 | Release date: | 2019-06-12 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.38 Å) | Cite: | Structural Basis for the Inhibition of CRISPR-Cas12a by Anti-CRISPR Proteins. Cell Host Microbe, 25, 2019
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5MXV
| Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK1107112A at 1.63A resolution | Descriptor: | 3-chloranyl-~{N}-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoranyl-1-benzothiophene-2-carboxamide, HTH-type transcriptional regulator EthR | Authors: | Blaszczyk, M, Mendes, V, Mugumbate, G, Blundell, T.L. | Deposit date: | 2017-01-24 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.626 Å) | Cite: | Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach. Front Pharmacol, 8, 2017
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