6MA2
 
 | | Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26) and inhibitor ent-1a | | Descriptor: | Host Cell Factor 1 peptide, N-[(2S)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}acetyl]-N-[(thiophen-2-yl)methyl]glycine, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | | Authors: | Martin, S.E.S, Lazarus, M.B, Walker, S. | | Deposit date: | 2018-08-25 | | Release date: | 2018-10-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Based Evolution of Low Nanomolar O-GlcNAc Transferase Inhibitors.
J. Am. Chem. Soc., 140, 2018
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6MA4
 | | Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26) and inhibitor 3a | | Descriptor: | 5-{2-[(1R)-2-{(carboxymethyl)[(thiophen-2-yl)methyl]amino}-2-oxo-1-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}ethyl]phenoxy}pentanoic acid, Host Cell Factor 1 peptide, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | | Authors: | Martin, S.E.S, Lazarus, M.B, Walker, S. | | Deposit date: | 2018-08-25 | | Release date: | 2018-10-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-Based Evolution of Low Nanomolar O-GlcNAc Transferase Inhibitors.
J. Am. Chem. Soc., 140, 2018
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6MA5
 | | Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26) and inhibitor 1a | | Descriptor: | Host Cell Factor 1 peptide, N-[(2R)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}acetyl]-N-[(thiophen-2-yl)methyl]glycine, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | | Authors: | Martin, S.E.S, Lazarus, M.B, Walker, S. | | Deposit date: | 2018-08-25 | | Release date: | 2018-10-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-Based Evolution of Low Nanomolar O-GlcNAc Transferase Inhibitors.
J. Am. Chem. Soc., 140, 2018
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6MA1
 | | Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26) and inhibitor 4a | | Descriptor: | Host Cell Factor 1 peptide, N-[(2R)-2-{[(7-chloro-2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}-2-(2-methoxyphenyl)acetyl]-N-[(thiophen-2-yl)methyl]glycine, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | | Authors: | Martin, S.E.S, Lazarus, M.B, Walker, S. | | Deposit date: | 2018-08-25 | | Release date: | 2018-10-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structure-Based Evolution of Low Nanomolar O-GlcNAc Transferase Inhibitors.
J. Am. Chem. Soc., 140, 2018
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4P32
 | | Crystal structure of E. coli LptB in complex with ADP-magnesium | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lipopolysaccharide export system ATP-binding protein LptB, MAGNESIUM ION | | Authors: | Sherman, D.J, Lazarus, M.B, Murphy, L, Liu, C, Walker, S, Ruiz, N, Kahne, D. | | Deposit date: | 2014-03-05 | | Release date: | 2014-03-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Decoupling catalytic activity from biological function of the ATPase that powers lipopolysaccharide transport.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4P33
 | | Crystal structure of E. coli LptB-E163Q in complex with ATP-sodium | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, Lipopolysaccharide export system ATP-binding protein LptB, ... | | Authors: | Sherman, D.J, Lazarus, M.B, Murphy, L, Liu, C, Walker, S, Ruiz, N, Kahne, D. | | Deposit date: | 2014-03-05 | | Release date: | 2014-03-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Decoupling catalytic activity from biological function of the ATPase that powers lipopolysaccharide transport.
Proc.Natl.Acad.Sci.USA, 111, 2014
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6UWY
 | | DYRK1A bound to a harmine derivative | | Descriptor: | 4-(7-methoxy-1-methyl-9H-beta-carbolin-9-yl)butanamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, TETRAETHYLENE GLYCOL | | Authors: | Khamrui, S, Lazarus, M.B. | | Deposit date: | 2019-11-05 | | Release date: | 2020-02-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Synthesis and Biological Validation of a Harmine-Based, Central Nervous System (CNS)-Avoidant, Selective, Human beta-Cell Regenerative Dual-Specificity Tyrosine Phosphorylation-Regulated Kinase A (DYRK1A) Inhibitor.
J.Med.Chem., 63, 2020
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6P26
 | | Escherichia coli tRNA synthetase in complex with compound 1 | | Descriptor: | N-benzyl-2-(cyclohex-1-en-1-yl)ethan-1-amine, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit | | Authors: | Kahne, D, Baidin, V, Owens, T.W. | | Deposit date: | 2019-05-21 | | Release date: | 2020-11-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.16 Å) | | Cite: | Simple Secondary Amines Inhibit Growth of Gram-Negative Bacteria through Highly Selective Binding to Phenylalanyl-tRNA Synthetase.
J.Am.Chem.Soc., 143, 2021
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6P24
 | | Escherichia coli tRNA synthetase | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Kahne, D, Baidin, V, Owens, T.W. | | Deposit date: | 2019-05-20 | | Release date: | 2020-11-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Simple Secondary Amines Inhibit Growth of Gram-Negative Bacteria through Highly Selective Binding to Phenylalanyl-tRNA Synthetase.
J.Am.Chem.Soc., 143, 2021
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6OZ5
 | | Escherichia coli tRNA synthetase in complex with compound 3 | | Descriptor: | 1,2-ETHANEDIOL, 2-({[(2S)-1-cyclohexylpropan-2-yl]amino}methyl)phenol, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Kahne, D, Baidin, V, Owens, T.W. | | Deposit date: | 2019-05-15 | | Release date: | 2020-11-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Simple Secondary Amines Inhibit Growth of Gram-Negative Bacteria through Highly Selective Binding to Phenylalanyl-tRNA Synthetase.
J.Am.Chem.Soc., 143, 2021
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6P8T
 | | Acinetobacter baumannii tRNA synthetase in complex with compound 1 | | Descriptor: | MAGNESIUM ION, N-benzyl-2-(cyclohex-1-en-1-yl)ethan-1-amine, Phenylalanine--tRNA ligase alpha subunit, ... | | Authors: | Kahne, D, Baidin, V, Owens, T.W. | | Deposit date: | 2019-06-07 | | Release date: | 2020-11-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Simple Secondary Amines Inhibit Growth of Gram-Negative Bacteria through Highly Selective Binding to Phenylalanyl-tRNA Synthetase.
J.Am.Chem.Soc., 143, 2021
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