1F0K
 
 | | THE 1.9 ANGSTROM CRYSTAL STRUCTURE OF E. COLI MURG | | Descriptor: | SULFATE ION, UDP-N-ACETYLGLUCOSAMINE-N-ACETYLMURAMYL-(PENTAPEPTIDE) PYROPHOSPHORYL-UNDECAPRENOL N-ACETYLGLUCOSAMINE TRANSFERASE | | Authors: | Ha, S, Walker, D, Shi, Y, Walker, S. | | Deposit date: | 2000-05-16 | | Release date: | 2000-07-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The 1.9 A crystal structure of Escherichia coli MurG, a membrane-associated glycosyltransferase involved in peptidoglycan biosynthesis.
Protein Sci., 9, 2000
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1NLM
 | | CRYSTAL STRUCTURE OF MURG:GLCNAC COMPLEX | | Descriptor: | GLYCEROL, UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE | | Authors: | Hu, Y, Chen, L, Ha, S, Gross, B, Falcone, B, Walker, D, Mokhtarzadeh, M, Walker, S. | | Deposit date: | 2003-01-07 | | Release date: | 2003-02-11 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of MurG:UDP-GlcNAc complex reveals common structural principles of a superfamily of glycosyltransferases
Proc.Natl.Acad.Sci.USA, 100, 2003
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6UIP
 | | DYRK1A Kinase Domain in Complex with a 6-azaindole Derivative, GNF2133. | | Descriptor: | 4-ethyl-N-{4-[1-(oxan-4-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]pyridin-2-yl}piperazine-1-carboxamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | | Authors: | DiDonato, M, Spraggon, G. | | Deposit date: | 2019-10-01 | | Release date: | 2020-03-04 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Selective DYRK1A Inhibitor for the Treatment of Type 1 Diabetes: Discovery of 6-Azaindole Derivative GNF2133.
J.Med.Chem., 63, 2020
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6U38
 | | PCSK9 in complex with a Fab and compound 8 | | Descriptor: | 2-fluoro-4-{[(1R)-1-methyl-6-{[(2S)-oxan-2-yl]methoxy}-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Fab Heavy Chain, Fab Light Chain, ... | | Authors: | Lu, J, Soisson, S. | | Deposit date: | 2019-08-21 | | Release date: | 2019-11-06 | | Last modified: | 2020-01-29 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
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6U2N
 | | PCSK9 in complex with compound 4 | | Descriptor: | 4-{[(1R)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Lu, J, Soisson, S. | | Deposit date: | 2019-08-20 | | Release date: | 2019-11-06 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
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7TB1
 | | Crystal structure of STUB1 with a macrocyclic peptide | | Descriptor: | 1,3-bis(sulfanyl)propan-2-one, ALA-CYS-SER-SER-ILE-TRP-CYS-PRO-ASP-GLY, E3 ubiquitin-protein ligase CHIP | | Authors: | Bahmanjah, S, Klein, D.J. | | Deposit date: | 2021-12-21 | | Release date: | 2022-07-27 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.785 Å) | | Cite: | Discovery and Structure-Based Design of Macrocyclic Peptides Targeting STUB1.
J.Med.Chem., 2022
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6U36
 | | PCSK9 in complex with a Fab and compound 14 | | Descriptor: | 2-fluoro-4-{[(1R)-6-(2-{4-[1-(4-methoxyphenyl)-5-methyl-6-oxo-1,6-dihydropyridazin-3-yl]-1H-1,2,3-triazol-1-yl}ethoxy)-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Fab Heavy Chain, Fab Light Chain, ... | | Authors: | Lu, J, Soisson, S. | | Deposit date: | 2019-08-21 | | Release date: | 2019-11-06 | | Last modified: | 2020-01-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
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6U3X
 | | PCSK9 in complex with compound 2 | | Descriptor: | 2-[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-(1,3-thiazol-2-yl)acetamide, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Lu, J, Soisson, S. | | Deposit date: | 2019-08-22 | | Release date: | 2019-11-06 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
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6U2P
 | | PCSK9 in complex with compound 5 | | Descriptor: | 1,2-ETHANEDIOL, 2-fluoro-4-{[(1R)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Lu, J, Soisson, S. | | Deposit date: | 2019-08-20 | | Release date: | 2019-11-06 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
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2GFW
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2GFX
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2GFY
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2GFV
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6U26
 | | PCSK9 in complex with compound 16 | | Descriptor: | 4'-{[(1R)-6-{2-[2-({N~5~-[N,N'-bis(tert-butoxycarbonyl)carbamimidoyl]-N~2~-(tert-butoxycarbonyl)-L-ornithyl}amino)ethoxy]ethoxy}-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-2'-fluoro[1,1'-biphenyl]-4-carboxylic acid, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Orth, P. | | Deposit date: | 2019-08-19 | | Release date: | 2019-11-06 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
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4NK3
 | | Amp-c beta-lactamase (pseudomonas aeruginosa) in complex with mk-7655 | | Descriptor: | (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | | Authors: | Scapin, G, Lu, J, Fitzgerald, P.M.D, Sharma, N. | | Deposit date: | 2013-11-12 | | Release date: | 2014-02-19 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of MK-7655, a beta-lactamase inhibitor for combination with Primaxin().
Bioorg.Med.Chem.Lett., 24, 2014
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2WZZ
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2WZX
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4OGF
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4N9N
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4OFW
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4OGG
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3ZGA
 | | Crystal Structure of Penicillin-Binding Protein 4 from Listeria monocytogenes in the Carbenicillin bound form | | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2S)-2-carboxy-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, GLYCEROL, PENICILLIN-BINDING PROTEIN 4 | | Authors: | Jeong, J.H, Kim, Y.G. | | Deposit date: | 2012-12-17 | | Release date: | 2013-05-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.005 Å) | | Cite: | Crystal Structures of Bifunctional Penicillin-Binding Protein 4 from Listeria Monocytogenes.
Antimicrob.Agents Chemother., 57, 2013
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3ZG8
 | | Crystal Structure of Penicillin Binding Protein 4 from Listeria monocytogenes in the Ampicillin bound form | | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, GLYCEROL, PENICILLIN-BINDING PROTEIN, ... | | Authors: | Jeong, J.H, Kim, Y.G. | | Deposit date: | 2012-12-17 | | Release date: | 2013-05-29 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.094 Å) | | Cite: | Crystal Structures of Bifunctional Penicillin-Binding Protein 4 from Listeria Monocytogenes.
Antimicrob.Agents Chemother., 57, 2013
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3ZG7
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