2PU4
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2PU2
| AmpC beta-lactamase with bound Phthalamide inhibitor | Descriptor: | 2-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]-1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID, Beta-lactamase, PHOSPHATE ION | Authors: | Babaoglu, K, Shoichet, B.K. | Deposit date: | 2007-05-08 | Release date: | 2008-04-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Comprehensive mechanistic analysis of hits from high-throughput and docking screens against beta-lactamase. J.Med.Chem., 51, 2008
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3GJZ
| Crystal structure of microcin immunity protein MccF from Bacillus anthracis str. Ames | Descriptor: | Microcin immunity protein MccF | Authors: | Nocek, B, Zhou, M, Kwon, K, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-03-09 | Release date: | 2009-04-14 | Last modified: | 2012-07-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and Functional Characterization of Microcin C Resistance Peptidase MccF from Bacillus anthracis. J.Mol.Biol., 420, 2012
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6Q0D
| CRYSTAL STRUCTURE OF LDHA IN COMPLEX WITH COMPOUND NCGC00384414-01 AT 2.05 A RESOLUTION | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-[3-(cyclopentylethynyl)-4-fluorophenyl]-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, GLYCEROL, ... | Authors: | Dranow, D.M, Davies, D.R. | Deposit date: | 2019-08-01 | Release date: | 2020-09-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties. J.Med.Chem., 63, 2020
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7MD9
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7MD1
| Crystal structure of Staphylococcus aureus cystathionine gamma lyase holoenzyme Y103N mutant | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, GLYCEROL, ... | Authors: | Nuthanakanti, A, Serganov, A, Kaushik, A. | Deposit date: | 2021-04-02 | Release date: | 2021-06-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance. Science, 372, 2021
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7MCQ
| Crystal structure of Staphylococcus aureus Cystathionine gamma lyase, AOAA-bound enzyme in dimeric form | Descriptor: | 4'-DEOXY-4'-ACETYLYAMINO-PYRIDOXAL-5'-PHOSPHATE, Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, GLYCEROL, ... | Authors: | Nuthanakanti, A, Serganov, A, Kaushik, A. | Deposit date: | 2021-04-02 | Release date: | 2021-06-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance. Science, 372, 2021
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7MCN
| Crystal structure of Staphylococcus aureus Cystathionine gamma-lyase, Holoenzyme with High HEPES | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, GLYCEROL, ... | Authors: | Nuthanakanti, A, Serganov, A, Kaushik, A. | Deposit date: | 2021-04-02 | Release date: | 2021-06-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance. Science, 372, 2021
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7MCT
| Crystal structure of Staphylococcus aureus Cystathionine gamma lyase, Holoenzyme with bound NL1 | Descriptor: | Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, GLYCEROL, N-[(6-bromo-1H-indol-1-yl)acetyl]glycine, ... | Authors: | Nuthanakanti, A, Serganov, A, Kaushik, A. | Deposit date: | 2021-04-02 | Release date: | 2021-06-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance. Science, 372, 2021
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7MCB
| Crystal structure of Staphylococcus aureus Cystathionine gamma lyase Holoenzyme | Descriptor: | Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Nuthanakanti, A, Serganov, A, Kaushik, A. | Deposit date: | 2021-04-01 | Release date: | 2021-06-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance. Science, 372, 2021
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7MCP
| Crystal structure of Staphylococcus aureus Cystathionine gamma-lyase, Holoenzyme dimer | Descriptor: | Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Nuthanakanti, A, Serganov, A, Kaushik, A. | Deposit date: | 2021-04-02 | Release date: | 2021-06-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance. Science, 372, 2021
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7MD0
| Crystal structure of Staphylococcus aureus cystathionine gamma lyase holoenzyme in the presence of NL1F3 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, GLYCEROL, ... | Authors: | Nuthanakanti, A, Serganov, A, Kaushik, A. | Deposit date: | 2021-04-02 | Release date: | 2021-06-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance. Science, 372, 2021
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7MD6
| Crystal structure of Staphylococcus aureus cystathionine gamma lyase holoenzyme Y103N mutant co-crystallized with NL1 | Descriptor: | Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, CITRATE ANION, N-[(6-bromo-1H-indol-1-yl)acetyl]glycine, ... | Authors: | Nuthanakanti, A, Serganov, A, Kaushik, A. | Deposit date: | 2021-04-03 | Release date: | 2021-06-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance. Science, 372, 2021
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7MDB
| Crystal structure of Staphylococcus aureus cystathionine gamma lyase holoenzyme Y103A mutant co-crystallized with NL2 | Descriptor: | 5-[(6-bromo-1H-indol-1-yl)methyl]-2-methylfuran-3-carboxylic acid, Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, CACODYLATE ION, ... | Authors: | Nuthanakanti, A, Serganov, A, Kaushik, A. | Deposit date: | 2021-04-03 | Release date: | 2021-06-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance. Science, 372, 2021
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7MCL
| Crystal structure of Staphylococcus aureus Cystathionine gamma-lyase, PLP bound | Descriptor: | Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Nuthanakanti, A, Serganov, A, Kaushik, A. | Deposit date: | 2021-04-02 | Release date: | 2021-06-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance. Science, 372, 2021
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7MCY
| Crystal structure of Staphylococcus aureus Cystathionine gamma lyase, Holoenzyme with bound NL3 | Descriptor: | 3-{[6-(7-chloro-1-benzothiophen-2-yl)-1H-indol-1-yl]methyl}-1H-pyrazole-5-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, ... | Authors: | Nuthanakanti, A, Serganov, A, Kaushik, A. | Deposit date: | 2021-04-02 | Release date: | 2021-06-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance. Science, 372, 2021
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7MCU
| Crystal structure of Staphylococcus aureus Cystathionine gamma lyase, Holoenzyme with bound NL2 | Descriptor: | 5-[(6-bromo-1H-indol-1-yl)methyl]-2-methylfuran-3-carboxylic acid, Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, CITRATE ANION, ... | Authors: | Nuthanakanti, A, Serganov, A, Kaushik, A. | Deposit date: | 2021-04-02 | Release date: | 2021-06-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance. Science, 372, 2021
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7MD8
| Crystal structure of Staphylococcus aureus cystathionine gamma lyase holoenzyme Y103N mutant co-crystallized with NL2 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, GLYCEROL, ... | Authors: | Nuthanakanti, A, Serganov, A, Kaushik, A. | Deposit date: | 2021-04-03 | Release date: | 2021-06-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance. Science, 372, 2021
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7MDA
| Crystal structure of Staphylococcus aureus cystathionine gamma lyase holoenzyme Y103A mutant co-crystallized with NL1 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, N-[(6-bromo-1H-indol-1-yl)acetyl]glycine, ... | Authors: | Nuthanakanti, A, Serganov, A, Kaushik, A. | Deposit date: | 2021-04-03 | Release date: | 2021-06-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance. Science, 372, 2021
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6RLV
| Trypanosoma brucei Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine | Descriptor: | 5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine, GLYCEROL, MALONATE ION, ... | Authors: | Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D. | Deposit date: | 2019-05-02 | Release date: | 2020-01-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases. Acs Chem.Biol., 15, 2020
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6SJC
| Structure of T. thermophilus AspRS in Complex with 5'-O-(N-(L-aspartyl)-sulfamoyl)adenosine | Descriptor: | 5'-O-(L-alpha-aspartylsulfamoyl)adenosine, Aspartate--tRNA(Asp) ligase | Authors: | De Graef, S, Pang, L, Strelkov, S.V, Weeks, S.D. | Deposit date: | 2019-08-13 | Release date: | 2020-01-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases. Acs Chem.Biol., 15, 2020
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6RLU
| Trypanosoma brucei Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-sulfamoyl)cytidine | Descriptor: | 5'-O-(N-(L-seryl)-sulfamoyl)cytidine, GLYCEROL, MALONATE ION, ... | Authors: | Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D. | Deposit date: | 2019-05-02 | Release date: | 2020-01-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases. Acs Chem.Biol., 15, 2020
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6UX9
| Crystal Structure Analysis of PIP4K2A | Descriptor: | N-[4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}pyridin-3-yl)phenyl]methanesulfonamide, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | Authors: | Seo, H.-S, Dhe-Paganon, S. | Deposit date: | 2019-11-07 | Release date: | 2020-12-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Discovery and Structure-Activity Relationship Study of ( Z )-5-Methylenethiazolidin-4-one Derivatives as Potent and Selective Pan-phosphatidylinositol 5-Phosphate 4-Kinase Inhibitors. J.Med.Chem., 63, 2020
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6S30
| Crystal Structure of Seryl-tRNA Synthetase from Klebsiella pneumoniae | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Serine--tRNA ligase | Authors: | Pang, L, De Graef, S, Weeks, S.D, Strelkov, S.V. | Deposit date: | 2019-06-23 | Release date: | 2020-01-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases. Acs Chem.Biol., 15, 2020
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6Q13
| CRYSTAL STRUCTURE OF LDHA IN COMPLEX WITH COMPOUND NCGC00420737-09 AT 2.00 A RESOLUTION | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-[5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-3-{3-[(5-methylthiophen-2-yl)ethynyl]phenyl}-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, ... | Authors: | Davies, D.R, Dranow, D.M. | Deposit date: | 2019-08-02 | Release date: | 2020-09-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties. J.Med.Chem., 63, 2020
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