7DQW
| E. coli GyrB ATPase domain in complex with 4-chlorophenol | Descriptor: | 1H-benzimidazol-2-amine, 4-chlorophenol, DNA gyrase subunit B, ... | Authors: | Yu, Y, Zhou, H. | Deposit date: | 2020-12-24 | Release date: | 2021-10-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Identification of new building blocks by fragment screening for discovering GyrB inhibitors. Bioorg.Chem., 114, 2021
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7EIV
| heterotetrameric glycyl-tRNA synthetase from Escherichia coli | Descriptor: | GLYCINE, Glycine--tRNA ligase alpha subunit, Glycine--tRNA ligase beta subunit, ... | Authors: | Ju, Y, Zhou, H. | Deposit date: | 2021-03-31 | Release date: | 2021-08-11 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | X-shaped structure of bacterial heterotetrameric tRNA synthetase suggests cryptic prokaryote functions and a rationale for synthetase classifications. Nucleic Acids Res., 49, 2021
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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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5Z9E
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5Z9N
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5Z9Q
| Bacterial GyrB ATPase domain in complex with a chemical fragment | Descriptor: | 1H-benzimidazol-2-amine, 5-phenyl-1H-pyrazol-3-amine, DNA gyrase subunit B, ... | Authors: | Huang, X, Zhou, H. | Deposit date: | 2018-02-04 | Release date: | 2018-12-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes Medchemcomm, 9, 2018
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7CBB
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7CBI
| Crystal structure of threonyl-tRNA synthetase (ThrRS) from Salmonella enterica in complex with an inhibitor | Descriptor: | 1,2-ETHANEDIOL, 5-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)pentyl (2~{S},3~{R})-2-azanyl-3-oxidanyl-butanoate, GLYCEROL, ... | 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 (1.59 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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5Z9B
| Bacterial GyrB ATPase domain in complex with (3,4-dichlorophenyl)hydrazine | Descriptor: | (3,4-dichlorophenyl)hydrazine, 1H-benzimidazol-2-amine, DNA gyrase subunit B, ... | Authors: | Huang, X, Zhou, H. | Deposit date: | 2018-02-02 | Release date: | 2018-12-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes Medchemcomm, 9, 2018
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5Z9M
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5Z4H
| Bacterial GyrB ATPase domain in complex with a chemical fragment | Descriptor: | 1H-benzimidazol-2-amine, 4-(4-hydroxyphenyl)sulfanylphenol, DNA gyrase subunit B, ... | Authors: | Huang, X, Zhou, H. | Deposit date: | 2018-01-11 | Release date: | 2018-12-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes Medchemcomm, 9, 2018
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7CBH
| Crystal structure of threonyl-tRNA synthetase (ThrRS) from Salmonella enterica in complex with an inhibitor | Descriptor: | Threonine--tRNA ligase, ZINC ION, [(E)-4-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)but-2-enyl] (2S,3R)-2-azanyl-3-oxidanyl-butanoate | 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 (1.95 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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5Z9F
| Bacterial GyrB ATPase domain in complex with a chemical fragment | Descriptor: | 1H-benzimidazol-2-amine, 2-hydroxybenzonitrile, DNA gyrase subunit B, ... | Authors: | Huang, X, Zhou, H. | Deposit date: | 2018-02-03 | Release date: | 2018-12-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes Medchemcomm, 9, 2018
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5Z9L
| Bacterial GyrB ATPase domain in complex with a chemical fragment | Descriptor: | 1H-benzimidazol-2-amine, 2-fluoro-4-hydroxybenzonitrile, DNA gyrase subunit B, ... | Authors: | Huang, X, Zhou, H. | Deposit date: | 2018-02-03 | Release date: | 2018-12-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes Medchemcomm, 9, 2018
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5Z4O
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7C7M
| The structure of SAM-bound CntL, an aminobutyrate transferase in staphylopine biosysnthesis | Descriptor: | 1,2-ETHANEDIOL, S-ADENOSYLMETHIONINE, Staphylopine biosynthesis enzyme CntL | Authors: | Luo, Z, Luo, S, Zhou, H. | Deposit date: | 2020-05-26 | Release date: | 2021-04-28 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structural insights into the ligand recognition and catalysis of the key aminobutanoyltransferase CntL in staphylopine biosynthesis. Faseb J., 35, 2021
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7C9M
| The structure of product-bound CntL, an aminobutyrate transferase in staphylopine biosynthesis | Descriptor: | (2S)-2-azanyl-4-[[(2R)-3-(1H-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid, 5'-DEOXY-5'-METHYLTHIOADENOSINE, D-histidine 2-aminobutanoyltransferase | Authors: | Luo, Z, Zhou, H. | Deposit date: | 2020-06-06 | Release date: | 2021-04-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural insights into the ligand recognition and catalysis of the key aminobutanoyltransferase CntL in staphylopine biosynthesis. Faseb J., 35, 2021
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5Z9P
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7C9K
| Crystal Structure of E84Q mutant of CntL in complex with SAM | Descriptor: | CALCIUM ION, D-histidine 2-aminobutanoyltransferase, S-ADENOSYLMETHIONINE | Authors: | Luo, Z, Zhou, H. | Deposit date: | 2020-06-06 | Release date: | 2021-04-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural insights into the ligand recognition and catalysis of the key aminobutanoyltransferase CntL in staphylopine biosynthesis. Faseb J., 35, 2021
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8WRH
| SARS-CoV-2 XBB.1.5.70 in complex with ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S2' | Authors: | Feng, L.L, Feng, L.L. | Deposit date: | 2023-10-14 | Release date: | 2023-11-29 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.08 Å) | Cite: | Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding. Plos Pathog., 19, 2023
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8WRL
| XBB.1.5 RBD in complex with ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1 | Authors: | Feng, L.L, Feng, L.L. | Deposit date: | 2023-10-15 | Release date: | 2023-11-29 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.36 Å) | Cite: | Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding. Plos Pathog., 19, 2023
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8WRM
| XBB.1.5 spike protein in complex with ACE2 | Descriptor: | Processed angiotensin-converting enzyme 2, Spike glycoprotein | Authors: | Feng, L.L, Feng, L.L. | Deposit date: | 2023-10-15 | Release date: | 2023-12-06 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.34 Å) | Cite: | Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding. Plos Pathog., 19, 2023
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8WRO
| XBB.1.5.10 spike protein in complex with ACE2 | Descriptor: | Processed angiotensin-converting enzyme 2, Spike glycoprotein,Spike glycoprotein,Spike glycoprotein,Fusion protein | Authors: | Feng, L.L, Feng, L.L. | Deposit date: | 2023-10-15 | Release date: | 2023-12-06 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding. Plos Pathog., 19, 2023
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8WTJ
| XBB.1.5.70 spike protein in complex with ACE2 | Descriptor: | Processed angiotensin-converting enzyme 2, Spike glycoprotein | Authors: | Feng, L.L, Feng, L.L. | Deposit date: | 2023-10-18 | Release date: | 2023-12-13 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.64 Å) | Cite: | Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding. Plos Pathog., 19, 2023
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8WTD
| XBB.1.5.10 RBD in complex with ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S2' | Authors: | Feng, L.L, Feng, L.L. | Deposit date: | 2023-10-18 | Release date: | 2023-12-13 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.06 Å) | Cite: | Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding. Plos Pathog., 19, 2023
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