8YGG
| pP1192R-apo Closed state | Descriptor: | DNA topoisomerase 2 | Authors: | Sun, J.Q, Liu, R.L. | Deposit date: | 2024-02-26 | Release date: | 2024-09-18 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | Structural basis for difunctional mechanism of m-AMSA against African swine fever virus pP1192R. Nucleic Acids Res., 2024
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8YIK
| pP1192R-ATPase-domain | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA topoisomerase 2 | Authors: | Sun, J.Q, Liu, R.L. | Deposit date: | 2024-02-29 | Release date: | 2024-09-18 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural basis for difunctional mechanism of m-AMSA against African swine fever virus pP1192R. Nucleic Acids Res., 2024
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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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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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5JVA
| 1.95 angstrom crystal structure of TAGRFP-T | Descriptor: | BETA-MERCAPTOETHANOL, SULFATE ION, TagRFP-T | Authors: | Hu, X.J. | Deposit date: | 2016-05-11 | Release date: | 2017-05-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The crystal structure of red fluorescent protein TagRFP-T reveals the mechanism of its superior photostability. Biochem. Biophys. Res. Commun., 477, 2016
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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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3I19
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6LMH
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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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8X2L
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6Z17
| PqsR (MvfR) in complex with antagonist 6 | Descriptor: | 6-chloranyl-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one, Transcriptional regulator MvfR | Authors: | Richardson, W.K, Emsley, J. | Deposit date: | 2020-05-12 | Release date: | 2020-09-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Novel quinazolinone inhibitors of the Pseudomonas aeruginosa quorum sensing transcriptional regulator PqsR. Eur.J.Med.Chem., 208, 2020
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6ZZ4
| Crystal structure of the PTPN2 C216G mutant | Descriptor: | PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 2 | Authors: | Mechaly, A.E, Berthelet, J, Nian, Q, Parlato, M, Cerf-Bensussan, N, Haouz, A, Rodrigues-Lima, F. | Deposit date: | 2020-08-03 | Release date: | 2021-08-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Structural characterization of a pathogenic mutant of human protein tyrosine phosphatase PTPN2 (Cys216Gly) that causes very early onset autoimmune enteropathy. Protein Sci., 31, 2022
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6YZ3
| PqsR (MvfR) in complex with antagonist 19 | Descriptor: | 1,2-ETHANEDIOL, 6-chloranyl-3-[(2-hexyl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one, LysR family transcriptional regulator | Authors: | Richardson, W.K, Emsley, J. | Deposit date: | 2020-05-06 | Release date: | 2020-09-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Novel quinazolinone inhibitors of the Pseudomonas aeruginosa quorum sensing transcriptional regulator PqsR. Eur.J.Med.Chem., 208, 2020
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6Z07
| PqsR (MvfR) in complex with antagonist 12 | Descriptor: | 3-[(2-~{tert}-butyl-1,3-thiazol-4-yl)methyl]-6-chloranyl-quinazolin-4-one, GLYCEROL, Transcriptional regulator MvfR | Authors: | Richardson, W.K, Emsley, J. | Deposit date: | 2020-05-07 | Release date: | 2020-09-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Novel quinazolinone inhibitors of the Pseudomonas aeruginosa quorum sensing transcriptional regulator PqsR. Eur.J.Med.Chem., 208, 2020
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6Z5K
| PqsR (MvfR) in complex with antagonist 18 | Descriptor: | 6-chloranyl-3-[(2-pentyl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one, Transcriptional regulator MvfR | Authors: | Richardson, W.K, Emsley, J. | Deposit date: | 2020-05-26 | Release date: | 2020-09-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.201 Å) | Cite: | Novel quinazolinone inhibitors of the Pseudomonas aeruginosa quorum sensing transcriptional regulator PqsR. Eur.J.Med.Chem., 208, 2020
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6JC4
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8GUE
| Crystal Structure of narbomycin-bound cytochrome P450 PikC with the unnatural amino acid p-Acetyl-L-Phenylalanine incorporated at position 238 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P450 monooxygenase PikC, ... | Authors: | Li, G.B, Pan, Y.J, Li, S.Y, Gao, X. | Deposit date: | 2022-09-11 | Release date: | 2023-02-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Unnatural activities and mechanistic insights of cytochrome P450 PikC gained from site-specific mutagenesis by non-canonical amino acids. Nat Commun, 14, 2023
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2OC7
| Structure of Hepatitis C Viral NS3 protease domain complexed with NS4A peptide and ketoamide SCH571696 | Descriptor: | BETA-MERCAPTOETHANOL, Hepatitis C Virus, TERT-BUTYL {(1S)-2-[(1R,2S,5R)-2-({[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL]AMINO}CARBONYL)-7,7-DIMETHYL-6-OXA-3-AZABICYCLO[3.2.0]HEPT-3-YL]-1-CYCLOHEXYL-2-OXOETHYL}CARBAMATE, ... | 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 (2.7 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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2OC8
| Structure of Hepatitis C Viral NS3 protease domain complexed with NS4A peptide and ketoamide SCH503034 | Descriptor: | BETA-MERCAPTOETHANOL, Hepatitis C virus, ZINC ION, ... | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers, 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.S, Arasappan, A, Bennett, F, Bogen, S.L, Chen, K, Jao, E, Liu, Y.T, Lovey, 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 (2.66 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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5TRL
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5U36
| Crystal Structure Of A Mutant M. Jannashii Tyrosyl-tRNA Synthetase | Descriptor: | Tyrosine--tRNA ligase | Authors: | Luo, X, Fu, G, Zhu, X, Wilson, I.A, Wang, F. | Deposit date: | 2016-12-01 | Release date: | 2017-06-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.03 Å) | Cite: | Genetically encoding phosphotyrosine and its nonhydrolyzable analog in bacteria. Nat. Chem. Biol., 13, 2017
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5TRM
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5ZNR
| Crystal structure of PtSHL in complex with an H3K27me3 peptide | Descriptor: | 17-mer peptide from Histone H3.2, SHORT LIFE family protein, SULFATE ION, ... | Authors: | Lv, X, Du, J. | Deposit date: | 2018-04-10 | Release date: | 2018-07-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.202 Å) | Cite: | Dual recognition of H3K4me3 and H3K27me3 by a plant histone reader SHL. Nat Commun, 9, 2018
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7YNK
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7YNJ
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