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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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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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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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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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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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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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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6N6O
 | | Crystal structure of the human TTK in complex with an inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 4-({5-chloro-4-[(cis-4-hydroxy-4-methylcyclohexyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}amino)-N,N-dimethyl-3-{[(2R)-1,1,1-trifluoropropan-2-yl]oxy}benzamide, Dual specificity protein kinase TTK, ... | | Authors: | Fenalti, G. | | Deposit date: | 2018-11-26 | | Release date: | 2019-05-15 | | Last modified: | 2019-05-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Design and Optimization Leading to an Orally Active TTK Protein Kinase Inhibitor with Robust Single Agent Efficacy.
J.Med.Chem., 62, 2019
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6ZQH
 | | Yeast Uba1 in complex with ubiquitin | | Descriptor: | BETA-MERCAPTOETHANOL, GLYCEROL, TETRAETHYLENE GLYCOL, ... | | Authors: | Misra, M, Schindelin, H. | | Deposit date: | 2020-07-09 | | Release date: | 2020-11-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.032 Å) | | Cite: | Development of ADPribosyl Ubiquitin Analogues to Study Enzymes Involved in Legionella Infection.
Chemistry, 27, 2021
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6P4V
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5JHF
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6PGR
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7YDO
 | | Crystal structure of Atg44 | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, Uncharacterized protein C26A3.14c | | Authors: | Maruyama, T, Noda, N.N. | | Deposit date: | 2022-07-04 | | Release date: | 2023-05-17 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | The mitochondrial intermembrane space protein mitofissin drives mitochondrial fission required for mitophagy.
Mol.Cell, 83, 2023
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4XS2
 | | Irak4-inhibitor co-structure | | Descriptor: | (1R,2S,3R,5R)-3-({5-(1,3-benzothiazol-2-yl)-6-chloro-2-[(3-methoxypropyl)amino]pyrimidin-4-yl}amino)-5-(hydroxymethyl)cyclopentane-1,2-diol, Interleukin-1 receptor-associated kinase 4 | | Authors: | Fischmann, T.O. | | Deposit date: | 2015-01-21 | | Release date: | 2015-05-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Discovery and hit-to-lead optimization of 2,6-diaminopyrimidine inhibitors of interleukin-1 receptor-associated kinase 4.
Bioorg.Med.Chem.Lett., 25, 2015
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4QL8
 | | Crystal structure of Androgen Receptor in complex with the ligand | | Descriptor: | 2-chloro-4-[(3S,3aS,4S)-4-hydroxy-3-methoxy-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-2-yl]-3-methylbenzonitrile, Androgen receptor | | Authors: | Krishnamurthy, N, Sangeetha, R, Ghadiyaram, C, Sasmal, S, Subramanya, H.S. | | Deposit date: | 2014-06-11 | | Release date: | 2015-06-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 3-alkoxy-pyrrolo[1,2-b]pyrazolines as selective androgen receptor modulators with ideal physicochemical properties for transdermal administration
J.Med.Chem., 57, 2014
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6B4W
 | | TTK in Complex with Inhibitor | | Descriptor: | 4-{[4-(cyclopentyloxy)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}-3-methoxy-N-methylbenzamide, CACODYLATE ION, Dual specificity protein kinase TTK | | Authors: | Delker, S, Chamberlain, P.P. | | Deposit date: | 2017-09-27 | | Release date: | 2017-10-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The Discovery of a Dual TTK Protein Kinase/CDC2-Like Kinase (CLK2) Inhibitor for the Treatment of Triple Negative Breast Cancer Initiated from a Phenotypic Screen.
J. Med. Chem., 60, 2017
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4YHD
 | | Staphylococcal alpha-hemolysin H35A mutant monomer | | Descriptor: | Alpha-hemolysin, CHLORIDE ION | | Authors: | Sugawara, T, Kato, K, Tanaka, Y, Yao, M. | | Deposit date: | 2015-02-27 | | Release date: | 2015-10-21 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.801 Å) | | Cite: | Structural basis for pore-forming mechanism of staphylococcal alpha-hemolysin
Toxicon, 108, 2015
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