8DPQ
 
 | | Beta-lactamase CTX-M-14 N170A | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase | | Authors: | Lu, S, Neetu, N, Palzkill, T. | | Deposit date: | 2022-07-15 | | Release date: | 2023-04-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance.
J.Biol.Chem., 299, 2023
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8DOD
 | | Beta-lactamase CTX-M-14 S130A | | Descriptor: | Beta-lactamase, POTASSIUM ION | | Authors: | Lu, S, Palzkill, T. | | Deposit date: | 2022-07-12 | | Release date: | 2023-04-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance.
J.Biol.Chem., 299, 2023
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8DON
 | | Beta-lactamase CTX-M-14 T215A | | Descriptor: | Beta-lactamase, PHOSPHATE ION | | Authors: | Lu, S, Palzkill, T. | | Deposit date: | 2022-07-13 | | Release date: | 2023-04-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance.
J.Biol.Chem., 299, 2023
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4ZJ9
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8ELB
 | | CTX-M-14 beta-lactamase mutant- N132A | | Descriptor: | Beta-lactamase, DI(HYDROXYETHYL)ETHER | | Authors: | Lu, S, Neetu, N, Palzkill, T. | | Deposit date: | 2022-09-23 | | Release date: | 2023-04-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance.
J.Biol.Chem., 299, 2023
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8SQF
 | | OXA-48 bound to inhibitor CDD-2725 | | Descriptor: | (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid, BICARBONATE ION, Beta-lactamase | | Authors: | Park, S, Judge, A, Fan, J, Sankaran, B, Prasad, B.V.V, Palzkill, T. | | Deposit date: | 2023-05-04 | | Release date: | 2024-01-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Exploiting the Carboxylate-Binding Pocket of beta-Lactamase Enzymes Using a Focused DNA-Encoded Chemical Library.
J.Med.Chem., 67, 2024
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8SQG
 | | OXA-48 bound to inhibitor CDD-2801 | | Descriptor: | (1M)-3'-(benzyloxy)-5-[2-(methylamino)-2-oxoethoxy][1,1'-biphenyl]-3,4'-dicarboxylic acid, BICARBONATE ION, Beta-lactamase | | Authors: | Park, S, Judge, A, Fan, J, Sankaran, B, Palzkill, T. | | Deposit date: | 2023-05-04 | | Release date: | 2024-01-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Exploiting the Carboxylate-Binding Pocket of beta-Lactamase Enzymes Using a Focused DNA-Encoded Chemical Library.
J.Med.Chem., 67, 2024
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6JUF
 | | SspB crystal structure | | Descriptor: | SspB protein | | Authors: | Liqiong, L, Yubing, Z. | | Deposit date: | 2019-04-13 | | Release date: | 2020-03-25 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.587 Å) | | Cite: | SspABCD-SspE is a phosphorothioation-sensing bacterial defence system with broad anti-phage activities.
Nat Microbiol, 5, 2020
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6LB9
 | | Magnesium ion-bound SspB crystal structure | | Descriptor: | DUF4007 domain-containing protein, MAGNESIUM ION | | Authors: | Liqiong, L, Yubing, Z. | | Deposit date: | 2019-11-13 | | Release date: | 2020-03-25 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.227 Å) | | Cite: | SspABCD-SspE is a phosphorothioation-sensing bacterial defence system with broad anti-phage activities.
Nat Microbiol, 5, 2020
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3GNW
 | | HCV NS5B polymerase in complex with 1,5 benzodiazepine inhibitor 4c | | Descriptor: | (11S)-11-[4-(benzyloxy)-2-fluorophenyl]-3,3-dimethyl-10-[(6-methylpyridin-2-yl)carbonyl]-2,3,4,5,10,11-hexahydrothiopyrano[3,2-b][1,5]benzodiazepin-6-ol 1,1-dioxide, CHLORIDE ION, RNA-directed RNA polymerase | | Authors: | Nyanguile, O, De Bondt, H. | | Deposit date: | 2009-03-18 | | Release date: | 2009-10-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Structure-based design of a benzodiazepine scaffold yields a potent allosteric inhibitor of hepatitis C NS5B RNA polymerase.
J.Med.Chem., 52, 2009
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3GNV
 | | HCV NS5B polymerase in complex with 1,5 benzodiazepine inhibitor 1b | | Descriptor: | (11R)-10-acetyl-11-[4-(benzyloxy)-2-chlorophenyl]-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, GLYCEROL, RNA-directed RNA polymerase | | Authors: | De Bondt, H, Nyanguile, O. | | Deposit date: | 2009-03-18 | | Release date: | 2009-10-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structure-based design of a benzodiazepine scaffold yields a potent allosteric inhibitor of hepatitis C NS5B RNA polymerase.
J.Med.Chem., 52, 2009
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6JIV
 | | SspE crystal structure | | Descriptor: | SspE protein | | Authors: | Bing, Y.Z, Yang, H.G. | | Deposit date: | 2019-02-23 | | Release date: | 2020-03-25 | | Last modified: | 2020-07-08 | | Method: | X-RAY DIFFRACTION (3.31 Å) | | Cite: | SspABCD-SspE is a phosphorothioation-sensing bacterial defence system with broad anti-phage activities.
Nat Microbiol, 5, 2020
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3SOU
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3SOW
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3SOX
 | | Structure of UHRF1 PHD finger in the free form | | Descriptor: | E3 ubiquitin-protein ligase UHRF1, ZINC ION | | Authors: | Rajakumara, E, Patel, D.J. | | Deposit date: | 2011-06-30 | | Release date: | 2011-08-03 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6501 Å) | | Cite: | PHD Finger Recognition of Unmodified Histone H3R2 Links UHRF1 to Regulation of Euchromatic Gene Expression.
Mol.Cell, 43, 2011
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2LWI
 | | Solution structure of H-RasT35S mutant protein in complex with Kobe2601 | | Descriptor: | 2-(2,4-dinitrophenyl)-N-(4-fluorophenyl)hydrazinecarbothioamide, GTPase HRas, MAGNESIUM ION, ... | | Authors: | Araki, M, Tamura, A, Shima, F, Kataoka, T. | | Deposit date: | 2012-08-01 | | Release date: | 2013-05-22 | | Last modified: | 2022-08-24 | | Method: | SOLUTION NMR | | Cite: | In silico discovery of small-molecule Ras inhibitors that display antitumor activity by blocking the Ras-effector interaction.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4FMD
 | | EspG-Rab1 complex structure at 3.05 A | | Descriptor: | ALUMINUM FLUORIDE, DI(HYDROXYETHYL)ETHER, EspG protein, ... | | Authors: | Shao, F, Zhu, Y. | | Deposit date: | 2012-06-16 | | Release date: | 2012-09-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Structurally Distinct Bacterial TBC-like GAPs Link Arf GTPase to Rab1 Inactivation to Counteract Host Defenses.
Cell(Cambridge,Mass.), 150, 2012
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4FMC
 | | EspG-Rab1 complex | | Descriptor: | ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Shao, F, Zhu, Y. | | Deposit date: | 2012-06-16 | | Release date: | 2012-09-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structurally Distinct Bacterial TBC-like GAPs Link Arf GTPase to Rab1 Inactivation to Counteract Host Defenses.
Cell(Cambridge,Mass.), 150, 2012
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4FME
 | | EspG-Rab1-Arf6 complex | | Descriptor: | ADP-ribosylation factor 6, ALUMINUM FLUORIDE, EspG protein, ... | | Authors: | Shao, F, Zhu, Y. | | Deposit date: | 2012-06-16 | | Release date: | 2012-09-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (4.1 Å) | | Cite: | Structurally Distinct Bacterial TBC-like GAPs Link Arf GTPase to Rab1 Inactivation to Counteract Host Defenses.
Cell(Cambridge,Mass.), 150, 2012
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4FMB
 | | VirA-Rab1 complex structure | | Descriptor: | ALUMINUM FLUORIDE, Cysteine protease-like virA, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Shao, F, Zhu, Y. | | Deposit date: | 2012-06-16 | | Release date: | 2012-09-05 | | Last modified: | 2012-10-03 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structurally Distinct Bacterial TBC-like GAPs Link Arf GTPase to Rab1 Inactivation to Counteract Host Defenses.
Cell(Cambridge,Mass.), 150, 2012
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8FE8
 | | Crystal Structure of HIV-1 RT in Complex with the non-nucleoside inhibitor 18b1 | | Descriptor: | 1,2-ETHANEDIOL, 5-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}pyrimidin-2-yl)amino]-2-[4-(methanesulfonyl)piperazin-1-yl]benzonitrile, Reverse transcriptase p51, ... | | Authors: | Rumrill, S, Ruiz, F.X, Arnold, E. | | Deposit date: | 2022-12-05 | | Release date: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of diarylpyrimidine derivatives bearing piperazine sulfonyl as potent HIV-1 nonnucleoside reverse transcriptase inhibitors.
Commun Chem, 6, 2023
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4JVS
 | | Crystal structure of LepB GAP domain from Legionella drancourtii in complex with Rab1-GDP and AlF3 | | Descriptor: | ACETIC ACID, ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Yu, Q, Yao, Q, Wang, D.-C, Shao, F. | | Deposit date: | 2013-03-26 | | Release date: | 2013-05-08 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.783 Å) | | Cite: | Structural analyses of Legionella LepB reveal a new GAP fold that catalytically mimics eukaryotic RasGAP
Cell Res., 23, 2013
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3M74
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3M7L
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3M75
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