5B0W
 
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2GFS
 | | P38 Kinase Crystal Structure in complex with RO3201195 | | Descriptor: | Mitogen-Activated Protein Kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE | | Authors: | Harris, S.F, Bertrand, J, Villasenor, A. | | Deposit date: | 2006-03-23 | | Release date: | 2006-04-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.752 Å) | | Cite: | Discovery of S-[5-Amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2,3-dihydroxypropoxy)phenyl]-methanone (RO3201195), and Orally Bioavailable and Highly Selective Inhibitor of p38 Map Kinase
J.Med.Chem., 49, 2006
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4PZ1
 | | Crystal structure of a sHIP (UniProt Id: Q99XU0) mutant from Streptococcus pyogenes | | Descriptor: | CALCIUM ION, CHLORIDE ION, sHIP | | Authors: | Wisniewska, M, Happonen, L, Frick, I.-M, Bjorck, L, Streicher, W, Malmstrom, J, Wikstrom, M. | | Deposit date: | 2014-03-28 | | Release date: | 2015-03-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Functional and structural properties of a novel protein and virulence factor (Protein sHIP) in Streptococcus pyogenes.
J.Biol.Chem., 289, 2014
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2GZ3
 | | Structure of Aspartate Semialdehyde Dehydrogenase (ASADH) from Streptococcus pneumoniae complexed with NADP and aspartate-semialdehyde | | Descriptor: | (2R)-2-AMINO-4-OXOBUTANOIC ACID, Aspartate beta-semialdehyde dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Faehnle, C.R, Le Coq, J, Liu, X, Viola, R.E. | | Deposit date: | 2006-05-10 | | Release date: | 2006-08-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Examination of key intermediates in the catalytic cycle of aspartate-beta-semialdehyde dehydrogenase from a gram-positive infectious bacteria.
J.Biol.Chem., 281, 2006
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8A8M
 | | Structure of the MAPK p38alpha in complex with its activating MAP2K MKK6 | | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 6, MAGNESIUM ION, Mitogen-activated protein kinase 14, ... | | Authors: | Bowler, M.W, Juyoux, P, Pellegrini, E. | | Deposit date: | 2022-06-23 | | Release date: | 2022-07-13 | | Last modified: | 2023-09-27 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Architecture of the MKK6-p38 alpha complex defines the basis of MAPK specificity and activation.
Science, 381, 2023
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7ZXS
 | | Crystal structure of DPP9 in complex with a 4-oxo-b-lactam based inhibitor, A295 | | Descriptor: | 1,2-ETHANEDIOL, 2-ethyl-2-methanoyl-~{N}-[3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Ross, B, Huber, R. | | Deposit date: | 2022-05-22 | | Release date: | 2022-09-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9.
Angew.Chem.Int.Ed.Engl., 61, 2022
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4RYV
 | | Crystal structure of yellow lupin LLPR-10.1A protein in complex with trans-zeatin | | Descriptor: | (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol, Protein LLPR-10.1A, SULFATE ION | | Authors: | Dolot, R, Michalska, K, Sliwiak, J, Bujacz, G, Sikorski, M.M, Jaskolski, M. | | Deposit date: | 2014-12-17 | | Release date: | 2015-12-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Crystallographic and CD probing of ligand-induced conformational changes in a plant PR-10 protein.
J.Struct.Biol., 193, 2016
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4TW1
 | | Crystal structure of the octameric pore complex of the Staphylococcus aureus Bi-component Toxin LukGH | | Descriptor: | Possible leukocidin subunit | | Authors: | Logan, D.T, Hakansson, M, Saline, M, Kimbung, R, Badarau, A, Rouha, H, Nagy, E. | | Deposit date: | 2014-06-29 | | Release date: | 2014-11-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-Function Analysis of Heterodimer Formation, Oligomerization, and Receptor Binding of the Staphylococcus aureus Bi-component Toxin LukGH.
J.Biol.Chem., 290, 2015
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1QPH
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2LF7
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2LF8
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6ZT8
 | | X-ray structure of mutated arabinofuranosidase | | Descriptor: | Alpha-L-arabinofuranosidase, CHLORIDE ION, PENTAETHYLENE GLYCOL, ... | | Authors: | Tandrup, T, Lo Leggio, L, Zhao, J, Bissaro, B, Barbe, S, Andre, I, Dumon, C, O'Donohue, M.J, Faure, R. | | Deposit date: | 2020-07-17 | | Release date: | 2021-02-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Probing the determinants of the transglycosylation/hydrolysis partition in a retaining alpha-l-arabinofuranosidase.
N Biotechnol, 62, 2021
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6ZT6
 | | X-ray structure of mutated arabinofuranosidase | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-L-arabinofuranosidase | | Authors: | Tandrup, T, Lo Leggio, L, Zhao, J, Bissaro, B, Barbe, S, Andre, I, Dumon, C, O'Donohue, M.J, Faure, R. | | Deposit date: | 2020-07-17 | | Release date: | 2021-02-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Probing the determinants of the transglycosylation/hydrolysis partition in a retaining alpha-l-arabinofuranosidase.
N Biotechnol, 62, 2021
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8A3A
 | | MTH1 in complex with TH013074 | | Descriptor: | 4-(4-methylphenyl)-1~{H}-quinazolin-2-one, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | | Authors: | Liu, H, Scaletti, E, Stenmark, P. | | Deposit date: | 2022-06-07 | | Release date: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | MTH1 in complex with TH013074
To Be Published
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8A34
 | | MTH1 in complex with TH013071 | | Descriptor: | 5-(2-phenylphenyl)-1H-pyrimidine-2,4-dione, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ... | | Authors: | Liu, H, Scaletti, E, Stenmark, P. | | Deposit date: | 2022-06-07 | | Release date: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | MTH1 in complex with TH013071
To Be Published
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8AVA
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8AWH
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8AAV
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8B5S
 | | Crystal Structure of P. aeruginosa WaaG in complex with UDP-glucose | | Descriptor: | UDP-glucose:(Heptosyl) LPS alpha 1,3-glucosyltransferase WaaG, URIDINE-5'-DIPHOSPHATE, URIDINE-5'-DIPHOSPHATE-GLUCOSE | | Authors: | Scaletti, E, Gustafsson Westergren, R, Stenmark, P. | | Deposit date: | 2022-09-24 | | Release date: | 2023-10-04 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural and functional insights into the Pseudomonas aeruginosa glycosyltransferase WaaG and the implications for lipopolysaccharide biosynthesis.
J.Biol.Chem., 299, 2023
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8B5Q
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8BSE
 | | CRYSTAL STRUCTURE OF SARS-COV-2 RECEPTOR BINDING DOMAIN (RBD) in complex with 1D1 Fab | | Descriptor: | 1D1 FAB HEAVY CHAIN, 1D1 FAB LIGHT CHAIN, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Welin, M, Kimbung, Y.R, Focht, D, Pisitkun, T. | | Deposit date: | 2022-11-25 | | Release date: | 2023-05-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Efficacy of the combination of monoclonal antibodies against the SARS-CoV-2 Beta and Delta variants.
Plos One, 18, 2023
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8BSF
 | | CRYSTAL STRUCTURE OF SARS-COV-2 RECEPTOR BINDING DOMAIN (RBD-beta variant) in complex with 3D2 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3D2 FAB HEAVY CHAIN, 3D2 FAB LIGHT CHAIN, ... | | Authors: | Welin, M, Kimbung, Y.R, Focht, D, Pisitkun, T. | | Deposit date: | 2022-11-25 | | Release date: | 2023-05-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Efficacy of the combination of monoclonal antibodies against the SARS-CoV-2 Beta and Delta variants.
Plos One, 18, 2023
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8BAN
 | | Secretagogin (mouse) in complex with its target peptide from SNAP-25 | | Descriptor: | CALCIUM ION, Green fluorescent protein,Synaptosomal-associated protein 25, Secretagogin | | Authors: | Schnell, R, Szodorai, E. | | Deposit date: | 2022-10-11 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | A hydrophobic groove in secretagogin allows for alternate interactions with SNAP-25 and syntaxin-4 in endocrine tissues.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8BAV
 | | Secretagogin (human) in complex with its target peptide from SNAP-25 | | Descriptor: | ACETATE ION, CALCIUM ION, Green fluorescent protein,Synaptosomal-associated protein 25, ... | | Authors: | Schnell, R, Szodorai, E. | | Deposit date: | 2022-10-12 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A hydrophobic groove in secretagogin allows for alternate interactions with SNAP-25 and syntaxin-4 in endocrine tissues.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8BLR
 | | G13D mutant of KRAS4b (2-169) bound to GDP with the switch-I in fully open conformation | | Descriptor: | GTPase KRas, N-terminally processed, GUANOSINE-5'-DIPHOSPHATE | | Authors: | Moche, M, Jungholm, O, Strandback, E, Ampah-Korsah, H, Nyman, T, Orwar, O. | | Deposit date: | 2022-11-10 | | Release date: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The 1.4 A crystal structure of K-Ras4A mutant G13D in open conformation
To Be Published
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