7MCT
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![BU of 7mct by Molmil](/molmil-images/mine/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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7MD6
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![BU of 7md6 by Molmil](/molmil-images/mine/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
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![BU of 7mdb by Molmil](/molmil-images/mine/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
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![BU of 7md0 by Molmil](/molmil-images/mine/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
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![BU of 7mcl by Molmil](/molmil-images/mine/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
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![BU of 7mcy by Molmil](/molmil-images/mine/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
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![BU of 7mcu by Molmil](/molmil-images/mine/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
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![BU of 7md8 by Molmil](/molmil-images/mine/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
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![BU of 7mda by Molmil](/molmil-images/mine/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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5JN9
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![BU of 5jn9 by Molmil](/molmil-images/mine/5jn9) | Crystal structure for the complex of human carbonic anhydrase IV and ethoxyzolamide | Descriptor: | 6-ethoxy-1,3-benzothiazole-2-sulfonamide, ACETATE ION, Carbonic anhydrase 4, ... | Authors: | Chen, Z, Waheed, A, Di Cera, E, Sly, W.S. | Deposit date: | 2016-04-29 | Release date: | 2017-05-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV. Eur. Biophys. J., 47, 2018
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5JN8
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![BU of 5jn8 by Molmil](/molmil-images/mine/5jn8) | Crystal Structure for the complex of human carbonic anhydrase IV and acetazolamide | Descriptor: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, ACETATE ION, Carbonic anhydrase 4, ... | Authors: | Chen, Z, Waheed, A, Di Cera, E, Sly, W.S. | Deposit date: | 2016-04-29 | Release date: | 2017-05-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV. Eur. Biophys. J., 47, 2018
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5JNC
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![BU of 5jnc by Molmil](/molmil-images/mine/5jnc) | Crystal structure for the complex of human carbonic anhydrase IV and 4-aminomethylbenzene sulfonamide | Descriptor: | 4-(aminomethyl)benzene-1-sulfonamide, ACETATE ION, Carbonic anhydrase 4, ... | Authors: | Chen, Z, Waheed, A, Di Cera, E, Sly, W.S. | Deposit date: | 2016-04-29 | Release date: | 2017-05-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV. Eur. Biophys. J., 47, 2018
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5JNA
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![BU of 5jna by Molmil](/molmil-images/mine/5jna) | Crystal structure for the complex of human carbonic anhydrase IV and topiramate | Descriptor: | ACETATE ION, Carbonic anhydrase 4, GLYCEROL, ... | Authors: | Chen, Z, Waheed, A, Di Cera, E, Sly, W.S. | Deposit date: | 2016-04-29 | Release date: | 2017-05-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV. Eur. Biophys. J., 47, 2018
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8FVR
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![BU of 8fvr by Molmil](/molmil-images/mine/8fvr) | CryoEM structure of E.coli transcription elongation complex | Descriptor: | DNA (53-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Duan, W, Serganov, A. | Deposit date: | 2023-01-19 | Release date: | 2023-04-05 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.42 Å) | Cite: | Control of transcription elongation and DNA repair by alarmone ppGpp. Nat.Struct.Mol.Biol., 30, 2023
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8FVW
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![BU of 8fvw by Molmil](/molmil-images/mine/8fvw) | |
7POM
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![BU of 7pom by Molmil](/molmil-images/mine/7pom) | |
7PP9
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![BU of 7pp9 by Molmil](/molmil-images/mine/7pp9) | |
5KU6
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![BU of 5ku6 by Molmil](/molmil-images/mine/5ku6) | Crystal structure for the complex of human carbonic anhydrase IV and methazolamide | Descriptor: | ACETATE ION, Carbonic anhydrase 4, GLYCEROL, ... | Authors: | Chen, Z, Waheed, A, Di Cera, E, Sly, W.S. | Deposit date: | 2016-07-12 | Release date: | 2017-07-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV. Eur. Biophys. J., 47, 2018
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6XDB
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![BU of 6xdb by Molmil](/molmil-images/mine/6xdb) | Crystal structure of IRE1a in complex with G-6904 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-amino-N-(6-chloro-2-fluoro-3-{[(2-fluorophenyl)sulfonyl]amino}phenyl)-6-(1,3-dimethyl-1H-pyrazol-4-yl)quinazoline-8-carboxamide, Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Wallweber, H.A, Weiru, W. | Deposit date: | 2020-06-10 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Identification of BRaf-Sparing Amino-Thienopyrimidines with Potent IRE1 alpha Inhibitory Activity. Acs Med.Chem.Lett., 11, 2020
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6XDF
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![BU of 6xdf by Molmil](/molmil-images/mine/6xdf) | Crystal structure of IRE1a in complex with G-4100 | Descriptor: | 4-amino-N-(6-chloro-2-fluoro-3-{[(pyrrolidin-1-yl)sulfonyl]amino}phenyl)quinazoline-8-carboxamide, SODIUM ION, Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Steinbacher, S, Wang, W. | Deposit date: | 2020-06-10 | Release date: | 2021-04-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Identification of BRaf-Sparing Amino-Thienopyrimidines with Potent IRE1 alpha Inhibitory Activity. Acs Med.Chem.Lett., 11, 2020
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6XDD
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![BU of 6xdd by Molmil](/molmil-images/mine/6xdd) | Crystal structure of IRE1 in complex with G-3053 | Descriptor: | 4-[(trans-4-aminocyclohexyl)amino]-N-(6-chloro-3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)thieno[3,2-d]pyrimidine-7-carboxamide, Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Ackerly-Wallweber, H, Wang, W. | Deposit date: | 2020-06-10 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Identification of BRaf-Sparing Amino-Thienopyrimidines with Potent IRE1 alpha Inhibitory Activity. Acs Med.Chem.Lett., 11, 2020
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8UVL
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![BU of 8uvl by Molmil](/molmil-images/mine/8uvl) | Crystal structure of selective IRE1a inhibitor 29 at the enzyme active site | Descriptor: | 1,2-ETHANEDIOL, 1-phenyl-N-(2,3,6-trifluoro-4-{[(3M)-3-(2-{[(3R,5R)-5-fluoropiperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}phenyl)methanesulfonamide, Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Kiefer, J.R, Wallweber, H.A, Braun, M.-G, Wei, W, Jiang, F, Wang, W, Rudolph, J, Ashkenazi, A. | Deposit date: | 2023-11-03 | Release date: | 2024-05-29 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Discovery of Potent, Selective, and Orally Available IRE1 alpha Inhibitors Demonstrating Comparable PD Modulation to IRE1 Knockdown in a Multiple Myeloma Model. J.Med.Chem., 67, 2024
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5I3E
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![BU of 5i3e by Molmil](/molmil-images/mine/5i3e) | |
7QGY
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![BU of 7qgy by Molmil](/molmil-images/mine/7qgy) | Human carbonic anhydrase II in complex with 3-((5-(ethoxycarbonyl)-4-methylthiazol-2-yl)(4-sulfamoylphenyl)amino)propanoic acid | Descriptor: | 3-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)-(4-sulfamoylphenyl)amino]propanoic acid, Carbonic anhydrase 2, ZINC ION | Authors: | Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2021-12-10 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Beta and Gamma Amino Acid-Substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases. Pharmaceuticals, 15, 2022
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7QGX
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![BU of 7qgx by Molmil](/molmil-images/mine/7qgx) | Human carbonic anhydrase II in complex with 3-((5-chloro-4-(4-chlorophenyl)thiazol-2-yl)(4-sulfamoylphenyl)amino)propanoic acid | Descriptor: | 3-[[5-chloranyl-4-(4-chlorophenyl)-1,3-thiazol-2-yl]-(4-sulfamoylphenyl)amino]propanoic acid, Carbonic anhydrase 2, MALONATE ION, ... | Authors: | Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2021-12-10 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Beta and Gamma Amino Acid-Substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases. Pharmaceuticals, 15, 2022
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