1K3N
 
 | | NMR Structure of the FHA1 Domain of Rad53 in Complex with a Rad9-derived Phosphothreonine (at T155) Peptide | | Descriptor: | DNA repair protein Rad9, Protein Kinase SPK1 | | Authors: | Yuan, C, Yongkiettrakul, S, Byeon, I.-J.L, Zhou, S, Tsai, M.-D. | | Deposit date: | 2001-10-03 | | Release date: | 2001-12-05 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Solution structures of two FHA1-phosphothreonine peptide complexes provide insight into the structural basis of the ligand specificity of FHA1 from yeast Rad53.
J.Mol.Biol., 314, 2001
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8IGN
 | | Crystal structure of SARS-CoV-2 main protease in complex with RAY1216 | | Descriptor: | (3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 3C-like proteinase nsp5 | | Authors: | Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X. | | Deposit date: | 2023-02-21 | | Release date: | 2023-04-05 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024
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8IGO
 | | Crystal structure of apo SARS-CoV-2 main protease | | Descriptor: | 3C-like proteinase nsp5 | | Authors: | Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X. | | Deposit date: | 2023-02-21 | | Release date: | 2023-04-05 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024
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2N8U
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1PHB
 | | INHIBITOR-INDUCED CONFORMATIONAL CHANGE IN CYTOCHROME P450-CAM | | Descriptor: | 1-(N-IMIDAZOLYL)-2-HYDROXY-2-(2,3-DICHLOROPHENYL)OCTANE, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Poulos, T.L. | | Deposit date: | 1992-07-27 | | Release date: | 1993-10-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Inhibitor-induced conformational change in cytochrome P-450CAM.
Biochemistry, 32, 1993
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1J4P
 | | NMR STRUCTURE OF THE FHA1 DOMAIN OF RAD53 IN COMPLEX WITH A RAD9-DERIVED PHOSPHOTHREONINE (AT T155) PEPTIDE | | Descriptor: | DNA REPAIR PROTEIN RAD9, PROTEIN KINASE SPK1 | | Authors: | Yuan, C, Yongkiettrakul, S, Byeon, I.-J.L, Zhou, S, Tsai, M.-D. | | Deposit date: | 2001-10-22 | | Release date: | 2001-12-05 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structures of two FHA1-phosphothreonine peptide complexes provide insight into the structural basis of the ligand specificity of FHA1 from yeast Rad53.
J.Mol.Biol., 314, 2001
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1PHA
 | | INHIBITOR-INDUCED CONFORMATIONAL CHANGE IN CYTOCHROME P450-CAM | | Descriptor: | 1-(N-IMIDAZOLYL)-2-HYDROXY-2-(2,3-DICHLOROPHENYL)OCTANE, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Poulos, T.L. | | Deposit date: | 1992-07-27 | | Release date: | 1993-10-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Inhibitor-induced conformational change in cytochrome P-450CAM.
Biochemistry, 32, 1993
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2N8S
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2N8T
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2L16
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2MN6
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2YU2
 | | Crystal structure of hJHDM1A without a-ketoglutarate | | Descriptor: | FE (II) ION, JmjC domain-containing histone demethylation protein 1A | | Authors: | Han, Z. | | Deposit date: | 2007-04-05 | | Release date: | 2007-04-24 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for histone demethylation by JHDM1
To be Published
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2YU1
 | | Crystal structure of hJHDM1A complexed with a-ketoglutarate | | Descriptor: | 2-OXOGLUTARIC ACID, FE (II) ION, JmjC domain-containing histone demethylation protein 1A | | Authors: | Han, Z. | | Deposit date: | 2007-04-05 | | Release date: | 2007-04-24 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for histone demethylation by JHDM1
To be Published
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5XZR
 | | The atomic structure of SHP2 E76A mutant in complex with allosteric inhibitor 9b | | Descriptor: | 4-(3-phenylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazol-2-amine, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Li, D, Xie, J, Zhu, J, Liu, C. | | Deposit date: | 2017-07-13 | | Release date: | 2017-12-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Allosteric Inhibitors of SHP2 with Therapeutic Potential for Cancer Treatment.
J. Med. Chem., 60, 2017
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4F66
 | | The crystal structure of 6-phospho-beta-glucosidase from Streptococcus mutans UA159 in complex with beta-D-glucose-6-phosphate. | | Descriptor: | 1,2-ETHANEDIOL, 6-O-phosphono-beta-D-glucopyranose, FORMIC ACID, ... | | Authors: | Tan, K, Michalska, K, Hatzos-Skintges, C, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2012-05-14 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.479 Å) | | Cite: | GH1-family 6-P-beta-glucosidases from human microbiome lactic acid bacteria.
Acta Crystallogr. D Biol. Crystallogr., 69, 2013
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8WYD
 | | Cryo-EM structure of DSR2-DSAD1 complex | | Descriptor: | Bacillus phage SPbeta DSAD1 protein, SIR2 family protein | | Authors: | Zhang, J.T, Jia, N, Liu, X.Y. | | Deposit date: | 2023-10-30 | | Release date: | 2024-04-10 | | Last modified: | 2024-04-17 | | Method: | ELECTRON MICROSCOPY (2.56 Å) | | Cite: | Structural basis for phage-mediated activation and repression of bacterial DSR2 anti-phage defense system.
Nat Commun, 15, 2024
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8WYE
 | | Cryo-EM structure of DSR2-DSAD1 (partial) complex | | Descriptor: | Bacillus phage SPbeta DSAD1 protein, SIR2 family protein | | Authors: | Zhang, J.T, Jia, N, Liu, X.Y. | | Deposit date: | 2023-10-30 | | Release date: | 2024-04-10 | | Last modified: | 2024-04-17 | | Method: | ELECTRON MICROSCOPY (2.49 Å) | | Cite: | Structural basis for phage-mediated activation and repression of bacterial DSR2 anti-phage defense system.
Nat Commun, 15, 2024
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8WY9
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3QOM
 | | Crystal structure of 6-phospho-beta-glucosidase from Lactobacillus plantarum | | Descriptor: | 6-phospho-beta-glucosidase, ACETATE ION, PHOSPHATE ION, ... | | Authors: | Michalska, K, Hatzos-Skintges, C, Bearden, J, Kohler, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2011-02-10 | | Release date: | 2011-03-09 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.498 Å) | | Cite: | GH1-family 6-P-beta-glucosidases from human microbiome lactic acid bacteria.
Acta Crystallogr.,Sect.D, 69, 2013
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8WYF
 | | Cryo-EM structure of DSR2-DSAD1-NAD+ (partial) complex | | Descriptor: | Bacillus phage SPbeta DSAD1 protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SIR2 family protein | | Authors: | Zhang, J.T, Jia, N, Liu, X.Y. | | Deposit date: | 2023-10-30 | | Release date: | 2024-04-10 | | Last modified: | 2024-04-17 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | Structural basis for phage-mediated activation and repression of bacterial DSR2 anti-phage defense system.
Nat Commun, 15, 2024
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8XLQ
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8XLO
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4FMX
 | | Crystal Structure of Substrate-Bound P450cin | | Descriptor: | 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE, GLYCEROL, P450cin, ... | | Authors: | Madrona, Y, Tripathi, S.M, Huiying, L, Poulos, T.L. | | Deposit date: | 2012-06-18 | | Release date: | 2012-07-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.554 Å) | | Cite: | Crystal structures of substrate-free and nitrosyl cytochrome p450cin: implications for o(2) activation.
Biochemistry, 51, 2012
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4GZE
 | | Crystal structure of 6-phospho-beta-glucosidase from Lactobacillus plantarum (apo form) | | Descriptor: | 6-phospho-beta-glucosidase, CHLORIDE ION, GLYCEROL | | Authors: | Michalska, K, Hatzos-Skintges, C, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2012-09-06 | | Release date: | 2012-09-26 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | GH1-family 6-P-beta-glucosidases from human microbiome lactic acid bacteria.
Acta Crystallogr.,Sect.D, 69, 2013
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1MOC
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