2K33
 
 | | Solution structure of an N-glycosylated protein using in vitro glycosylation | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-4)-[beta-D-glucopyranose-(1-3)]2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)-2,4-bisacetamido-2,4,6-trideoxy-beta-D-glucopyranose, AcrA | | Authors: | Slynko, V, Schubert, M, Numao, S, Kowarik, M, Aebi, M, Allain, F.H.-T. | | Deposit date: | 2008-04-18 | | Release date: | 2009-02-03 | | Last modified: | 2021-10-20 | | Method: | SOLUTION NMR | | Cite: | NMR structure determination of a segmentally labeled glycoprotein using in vitro glycosylation.
J.Am.Chem.Soc., 131, 2009
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2XCJ
 | | Crystal structure of P2 C, the immunity repressor of temperate E. coli phage P2 | | Descriptor: | C PROTEIN, FORMIC ACID, GLYCEROL, ... | | Authors: | Massad, T, Skaar, K, Hogbom, M, Stenmark, P. | | Deposit date: | 2010-04-23 | | Release date: | 2010-07-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of the P2 C-Repressor: A Binder of Non-Palindromic Direct DNA Repeats.
Nucleic Acids Res., 38, 2010
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2YHI
 | | Trypanosoma brucei PTR1 in complex with inhibitor WH16 | | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ... | | Authors: | Nerini, E, Dawson, A, Hunter, W.N, Costi, M.P. | | Deposit date: | 2011-05-03 | | Release date: | 2012-05-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery.
ACS Omega, 2, 2017
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3GOX
 | | Crystal structure of the beta-beta-alpha-Me type II restriction endonuclease Hpy99I in the absence of EDTA | | Descriptor: | 5'-(*DCP*DTP*DCP*DGP*DAP*DCP*DGP*DTP*DAP*DGP*DA)-3', 5'-(*DTP*DAP*DCP*DGP*DTP*DCP*DGP*DAP*DGP*DTP*DC)-3', PENTAETHYLENE GLYCOL, ... | | Authors: | Sokolowska, M, Czapinska, H, Bochtler, M. | | Deposit date: | 2009-03-20 | | Release date: | 2009-04-28 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of the beta beta alpha-Me type II restriction endonuclease Hpy99I with target DNA.
Nucleic Acids Res., 37, 2009
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2GWC
 | | Crystal structure of plant glutamate cysteine ligase in complex with a transition state analogue | | Descriptor: | (2S)-2-amino-4-(S-butylsulfonimidoyl)butanoic acid, Glutamate cysteine ligase, MAGNESIUM ION | | Authors: | Hothorn, M, Wachter, A, Gromes, R, Stuwe, T, Rausch, T, Scheffzek, K. | | Deposit date: | 2006-05-04 | | Release date: | 2006-06-20 | | Last modified: | 2018-10-03 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Structural basis for the redox control of plant glutamate cysteine ligase.
J.Biol.Chem., 281, 2006
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2YHU
 | | Trypanosoma brucei PTR1 in complex with inhibitor WHF30 | | Descriptor: | 3-(5-AMINO-1,3,4-THIADIAZOL-2-YL)-1-THIOPHEN-2-YLPROPAN-1-ONE, ACETATE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Nerini, E, Dawson, A, Hunter, W.N, Costi, M.P. | | Deposit date: | 2011-05-06 | | Release date: | 2012-05-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery.
ACS Omega, 2, 2017
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2Z5H
 | | Crystal structure of the head-to-tail junction of tropomyosin complexed with a fragment of TnT | | Descriptor: | General control protein GCN4 and Tropomyosin alpha-1 chain, Tropomyosin alpha-1 chain and General control protein GCN4, Troponin T, ... | | Authors: | Murakami, K, Nozawa, K, Tomii, K, Kudou, N, Igarashi, N, Shirakihara, Y, Wakatsuki, S, Stewart, M, Yasunaga, T, Wakabayashi, T. | | Deposit date: | 2007-07-12 | | Release date: | 2008-04-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Structural basis for tropomyosin overlap in thin (actin) filaments and the generation of a molecular swivel by troponin-T
Proc.Natl.Acad.Sci.USA, 105, 2008
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2Z5I
 | | Crystal structure of the head-to-tail junction of tropomyosin | | Descriptor: | General control protein GCN4 and Tropomyosin alpha-1 chain, MAGNESIUM ION, Tropomyosin alpha-1 chain and General control protein GCN4 | | Authors: | Murakami, K, Nozawa, K, Tomii, K, Kudou, N, Igarashi, N, Shirakihara, Y, Wakatsuki, S, Stewart, M, Yasunaga, T, Wakabayashi, T. | | Deposit date: | 2007-07-12 | | Release date: | 2008-04-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for tropomyosin overlap in thin (actin) filaments and the generation of a molecular swivel by troponin-T
Proc.Natl.Acad.Sci.USA, 105, 2008
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8UUH
 | | SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12199 | | Descriptor: | 5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-{(3M,5P)-3-(1-methyl-1H-pyrazol-4-yl)-5-[1-(propan-2-yl)-1H-pyrazol-4-yl]phenyl}ethyl]benzamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | | Deposit date: | 2023-11-01 | | Release date: | 2024-04-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
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8UUU
 | | SARS-Cov-2 papain-like protease (PLpro) with inhibitor Jun12162 | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | | Deposit date: | 2023-11-02 | | Release date: | 2024-04-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
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8UUV
 | | SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12197 | | Descriptor: | CHLORIDE ION, N-{(1R)-1-[(3P,5P)-3-(1-cyclopropyl-1H-pyrazol-4-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide, Papain-like protease nsp3, ... | | Authors: | Ansari, A, Tan, B, Arnold, E, Ruiz, F.X, Wang, J. | | Deposit date: | 2023-11-02 | | Release date: | 2024-04-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
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8QA3
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8QA0
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7P3S
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 12 | | Descriptor: | GLYCEROL, Histone deacetylase, POTASSIUM ION, ... | | Authors: | Shaik, T.B, Romier, C. | | Deposit date: | 2021-07-08 | | Release date: | 2021-09-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.546 Å) | | Cite: | Synthesis, structure-activity relationships, cocrystallization and cellular characterization of novel smHDAC8 inhibitors for the treatment of schistosomiasis.
Eur.J.Med.Chem., 225, 2021
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7OZH
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7OZG
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7QGM
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7QGL
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7QGO
 | | Human CD73 (ecto 5'-nucleotidase) in complex with MRS4602 (a 3-methyl-CMPCP derivative, compound 21 in paper) in the closed state (crystal form III) | | Descriptor: | 5'-nucleotidase, ZINC ION, [[(2~{R},3~{S},4~{R},5~{R})-5-[(4~{E})-4-[(4-methoxycarbonylphenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid | | Authors: | Strater, N. | | Deposit date: | 2021-12-09 | | Release date: | 2022-02-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.206 Å) | | Cite: | Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
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7QGA
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8QA2
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8QA1
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2D4X
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8SL5
 | | [2T13] Self-assembling left-handed two-turn tensegrity triangle with 13 interjunction base pairs and R3 symmetry | | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*CP*TP*GP*AP*CP*TP*AP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*TP*GP*GP*C)-3'), DNA (5'-D(P*CP*GP*TP*GP*GP*AP*CP*A)-3'), ... | | Authors: | Vecchioni, S, Janowski, J, Sha, R, Ohayon, Y.P. | | Deposit date: | 2023-04-21 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (6.55 Å) | | Cite: | Engineering tertiary chirality in helical biopolymers.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8SXD
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