5ZNK
| Crystal structure of a bacterial ProRS with ligands | Descriptor: | 7-chloro-6-fluoro-3-{2-oxo-3-[(2S)-piperidin-2-yl]propyl}quinazolin-4(3H)-one, GLYCEROL, MAGNESIUM ION, ... | Authors: | Cheng, B, Yu, Y, Zhou, H. | Deposit date: | 2018-04-09 | Release date: | 2019-05-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structure-Guided Design of Halofuginone Derivatives as ATP-Aided Inhibitors Against Bacterial Prolyl-tRNA Synthetase. J.Med.Chem., 65, 2022
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5ZNJ
| Crystal structure of a bacterial ProRS with ligands | Descriptor: | 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, GLYCEROL, MAGNESIUM ION, ... | Authors: | Cheng, B, Yu, Y, Zhou, H. | Deposit date: | 2018-04-09 | Release date: | 2019-05-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structure-Guided Design of Halofuginone Derivatives as ATP-Aided Inhibitors Against Bacterial Prolyl-tRNA Synthetase. J.Med.Chem., 65, 2022
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5ZAN
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1HP9
| kappa-Hefutoxins: a novel Class of Potassium Channel Toxins from Scorpion venom | Descriptor: | kappa-hefutoxin 1 | Authors: | Srinivasan, K.N, Sivaraja, V, Huys, I, Sasaki, T, Cheng, B, Kumar, T.K.S, Sato, K, Tytgat, J, Yu, C, Brian Chia, C.S, Ranganathan, S, Bowie, J.H, Kini, R.M, Gopalakrishnakone, P. | Deposit date: | 2000-12-12 | Release date: | 2002-08-28 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | kappa-Hefutoxin1, a novel toxin from the scorpion Heterometrus fulvipes with unique structure and function. Importance of the functional diad in potassium channel selectivity. J.Biol.Chem., 277, 2002
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5D5H
| Crystal structure of Mycobacterium tuberculosis Topoisomerase I | Descriptor: | ACETATE ION, DNA topoisomerase 1, GLYCEROL, ... | Authors: | Tan, K, Cheng, B, Tse-Dinh, Y.C. | Deposit date: | 2015-08-10 | Release date: | 2015-12-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Insights from the Structure of Mycobacterium tuberculosis Topoisomerase I with a Novel Protein Fold. J.Mol.Biol., 428, 2016
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3PX7
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6J71
| HuA21-scFv in complex with the extracellular domain(ECD) of HER2 | Descriptor: | Receptor tyrosine-protein kinase erbB-2, anti-HER2 humanized antibody HuA21, beta-D-mannopyranose, ... | Authors: | Wang, Z, Guo, G, Cheng, B, Zhu, Z, Niu, L, Zhang, H. | Deposit date: | 2019-01-16 | Release date: | 2019-02-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.918 Å) | Cite: | Structural insight into a matured humanized monoclonal antibody HuA21 against HER2-overexpressing cancer cells. Acta Crystallogr D Struct Biol, 75, 2019
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5OEP
| Mycobacterium tuberculosis DprE1 in complex with inhibitor TCA481 | Descriptor: | Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ... | Authors: | Futterer, K, Batt, S.M, Besra, G.S. | Deposit date: | 2017-07-09 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes. Angew. Chem. Int. Ed. Engl., 56, 2017
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5OEL
| Mycobacterium tuberculosis DprE1 mutant Y314C in complex with TCA1 | Descriptor: | Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ethyl ({2-[(1,3-benzothiazol-2-ylcarbonyl)amino]thiophen-3-yl}carbonyl)carbamate | Authors: | Futterer, K, Batt, S.M, Besra, G.S. | Deposit date: | 2017-07-08 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes. Angew. Chem. Int. Ed. Engl., 56, 2017
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5OEQ
| Mycobacterium tuberculosis DprE1 in complex with inhibitor TCA020 | Descriptor: | Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ... | Authors: | Futterer, K, Batt, S.M, Besra, G.S. | Deposit date: | 2017-07-09 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes. Angew. Chem. Int. Ed. Engl., 56, 2017
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7SH4
| CD1a-phosphatidylglycerol binary structure | Descriptor: | (21R,24R,27S)-24,27,28-trihydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaoctacosan-21-yl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Wegrecki, M, Rossjohn, J. | Deposit date: | 2021-10-07 | Release date: | 2022-10-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Staphylococcal phosphatidylglycerol antigens activate human T cells via CD1a. Nat.Immunol., 24, 2023
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6WM1
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6WO2
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5W0C
| Cytochrome P450 (CYP) 2C9 TCA007 Inhibitor Complex | Descriptor: | Cytochrome P450 2C9, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Johnson, E.F, Hsu, M.-H. | Deposit date: | 2017-05-30 | Release date: | 2017-09-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes. Angew. Chem. Int. Ed. Engl., 56, 2017
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4RUL
| Crystal structure of full-length E.Coli topoisomerase I in complex with ssDNA | Descriptor: | DNA topoisomerase 1, GLYCEROL, SULFATE ION, ... | Authors: | Tan, K, Chen, B, Tse-Dinh, Y.C. | Deposit date: | 2014-11-20 | Release date: | 2015-11-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for suppression of hypernegative DNA supercoiling by E. coli topoisomerase I. Nucleic Acids Res., 43, 2015
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1KIV
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6L2P
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6L2Q
| Threonyl-tRNA synthetase from Salmonella enterica in complex with an inhibitor | Descriptor: | (2S,3R)-2-azanyl-N-[(E)-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-3-oxidanyl-butanamide, 1,2-ETHANEDIOL, Threonine--tRNA ligase, ... | Authors: | Guo, J, Chen, B, Zhou, H. | Deposit date: | 2019-10-05 | Release date: | 2020-01-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of novel tRNA-amino acid dual-site inhibitors against threonyl-tRNA synthetase by fragment-based target hopping. Eur.J.Med.Chem., 187, 2019
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5CVC
| Structure of maize serine racemase | Descriptor: | MAGNESIUM ION, PYRIDOXAL-5'-PHOSPHATE, Serine racemase | Authors: | Song, Y, Zou, L, Fan, J. | Deposit date: | 2015-07-26 | Release date: | 2016-03-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Crystal structure of maize serine racemase with pyridoxal 5'-phosphate. Acta Crystallogr.,Sect.F, 72, 2016
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4KIV
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3PWT
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7WM7
| Threonyl-tRNA synthetase from Salmonella enterica in complex with an inhibitor | Descriptor: | (2S,3R)-2-azanyl-N-[5-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)pentyl]-3-oxidanyl-N-[[3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)phenyl]methyl]butanamide, Threonine--tRNA ligase, ZINC ION | Authors: | Cai, Z, Chen, B, Yu, Y, Zhou, H. | Deposit date: | 2022-01-14 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design, Synthesis, and Proof-of-Concept of Triple-Site Inhibitors against Aminoacyl-tRNA Synthetases. J.Med.Chem., 65, 2022
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7WMF
| Threonyl-tRNA synthetase from Salmonella enterica in complex with an inhibitor | Descriptor: | (2S,3R)-2-azanyl-N-[(1R)-2-[3-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]propanoylamino]-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-3-oxidanyl-butanamide, 1,2-ETHANEDIOL, Threonine--tRNA ligase, ... | Authors: | Cai, Z, Chen, B, Yu, Y, Zhou, H. | Deposit date: | 2022-01-14 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design, Synthesis, and Proof-of-Concept of Triple-Site Inhibitors against Aminoacyl-tRNA Synthetases. J.Med.Chem., 65, 2022
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3KIV
| RECOMBINANT KRINGLE IV-10/M66 VARIANT OF HUMAN APOLIPOPROTEIN(A) | Descriptor: | 6-AMINOHEXANOIC ACID, APOLIPOPROTEIN | Authors: | Mochalkin, I, Tulinsky, A, Scanu, A. | Deposit date: | 1998-09-08 | Release date: | 1999-05-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Recombinant kringle IV-10 modules of human apolipoprotein(a): structure, ligand binding modes, and biological relevance. Biochemistry, 38, 1999
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7CBG
| Crystal structure of threonyl-tRNA synthetase (ThrRS) from Salmonella enterica in complex with an inhibitor | Descriptor: | (2S,3R)-N-[(E)-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-2-(methylamino)-3-oxidanyl-butanamide, Threonine--tRNA ligase, ZINC ION | Authors: | Guo, J, Chen, B, Zhou, H. | Deposit date: | 2020-06-12 | Release date: | 2020-10-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-guided optimization and mechanistic study of a class of quinazolinone-threonine hybrids as antibacterial ThrRS inhibitors. Eur.J.Med.Chem., 207, 2020
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