2XXP
| A widespread family of bacterial cell wall assembly proteins | Descriptor: | CPS2A, DI(HYDROXYETHYL)ETHER, MONO-TRANS, ... | Authors: | Marles-Wright, J, Kawai, Y, Emmins, R, Ishikawa, S, Kuwano, M, Heinz, N, Cleverley, R.M, Bui, N.K, Ogasawara, N, Lewis, R.J, Vollmer, W, Daniel, R.A, Errington, J. | Deposit date: | 2010-11-11 | Release date: | 2011-10-19 | Last modified: | 2014-01-15 | Method: | X-RAY DIFFRACTION (1.692 Å) | Cite: | A Widespread Family of Bacterial Cell Wall Assembly Proteins. Embo J., 30, 2011
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2XXQ
| A widespread family of bacterial cell wall assembly proteins | Descriptor: | (2Z,6Z,10Z,14Z,18Z,22Z,26Z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Marles-Wright, J, Kawai, Y, Emmins, R, Ishikawa, S, Kuwano, M, Heinz, N, Cleverley, R.M, Bui, N.K, Ogasawara, N, Lewis, R.J, Vollmer, W, Daniel, R.A, Errington, J. | Deposit date: | 2010-11-11 | Release date: | 2011-10-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | A Widespread Family of Bacterial Cell Wall Assembly Proteins. Embo J., 30, 2011
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3WR7
| Crystal Structure of Spermidine Acetyltransferase from Escherichia coli | Descriptor: | COENZYME A, SPERMIDINE, Spermidine N1-acetyltransferase | Authors: | Sugiyama, S, Ishikawa, S, Tomitori, S, Niiyama, M, Hirose, M, Miyazaki, Y, Higashi, K, Adachi, H, Takano, K, Murakami, S, Inoue, T, Mori, Y, Kashiwagi, K, Igarashi, K, Matsumura, H. | Deposit date: | 2014-02-20 | Release date: | 2015-09-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular mechanism underlying promiscuous polyamine recognition by spermidine acetyltransferase Int.J.Biochem.Cell Biol., 76, 2016
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3TFL
| LytR-Cps2a-Psr family protein with bound octaprenyl pyrophosphate lipid | Descriptor: | (2Z,6Z,10Z,14Z,18Z,22Z,26Z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate, 1,2-ETHANEDIOL, CPS2A, ... | Authors: | Kawai, Y, Marles-Wright, J, Cleverley, R.M, Emmins, R, Ishikawa, S, Kuwano, M, Heinz, N, Khai Bui, N, Hoyland, C.N, Ogasawara, N, Lewis, R.J, Vollmer, W, Daniel, R.A, Errington, J. | Deposit date: | 2011-08-16 | Release date: | 2011-10-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | A widespread family of bacterial cell wall assembly proteins. Embo J., 30, 2011
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3TEL
| LytR-CPS2A-Psr family protein with bound octaprenyl pyrophosphate lipid and manganese ion | Descriptor: | (2Z,6Z,10Z,14Z,18Z,22Z,26Z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Kawai, Y, Marles-Wright, J, Cleverley, R.M, Emmins, R, Ishikawa, S, Kuwano, M, Heinz, N, Khai Bui, N, Hoyland, C.N, Ogasawara, N, Lewis, R.J, Vollmer, W, Daniel, R.A, Errington, J. | Deposit date: | 2011-08-15 | Release date: | 2011-10-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A widespread family of bacterial cell wall assembly proteins. Embo J., 30, 2011
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3TEP
| LytR-CPS2a-Psr family protein with bound octaprenyl pyrophosphate lipid and magnesium ion | Descriptor: | (2Z,6Z,10Z,14Z,18Z,22Z,26Z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate, 1,2-ETHANEDIOL, CPS2A, ... | Authors: | Kawai, Y, Marles-Wright, J, Cleverley, R.M, Emmins, R, Ishikawa, S, Kuwano, M, Heinz, N, Khai Bui, N, Hoyland, C.N, Ogasawara, N, Lewis, R.J, Vollmer, W, Daniel, R.A, Errington, J. | Deposit date: | 2011-08-15 | Release date: | 2011-10-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | A widespread family of bacterial cell wall assembly proteins. Embo J., 30, 2011
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3ZII
| Bacillus subtilis SepF G109K, C-terminal domain | Descriptor: | CELL DIVISION PROTEIN SEPF | Authors: | Duman, R, Ishikawa, S, Celik, I, Ogasawara, N, Lowe, J, Hamoen, L.W. | Deposit date: | 2013-01-09 | Release date: | 2013-11-27 | Last modified: | 2013-12-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and Genetic Analyses Reveal the Protein Sepf as a New Membrane Anchor for the Z Ring. Proc.Natl.Acad.Sci.USA, 110, 2013
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3ZIH
| Bacillus subtilis SepF, C-terminal domain | Descriptor: | CELL DIVISION PROTEIN SEPF | Authors: | Duman, R.E, Ishikawa, S, Celik, I, Ogasawara, N, Lowe, J, Hamoen, L.W. | Deposit date: | 2013-01-09 | Release date: | 2013-11-27 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and Genetic Analyses Reveal the Protein Sepf as a New Membrane Anchor for the Z Ring. Proc.Natl.Acad.Sci.USA, 110, 2013
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3ZIG
| SepF-like protein from Pyrococcus furiosus | Descriptor: | SEPF-LIKE PROTEIN | Authors: | Duman, R, Ishikawa, S, Celik, I, Ogasawara, N, Lowe, J, Hamoen, L.W. | Deposit date: | 2013-01-09 | Release date: | 2013-11-27 | Last modified: | 2013-12-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and Genetic Analyses Reveal the Protein Sepf as a New Membrane Anchor for the Z Ring. Proc.Natl.Acad.Sci.USA, 110, 2013
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3ZIE
| SepF-like protein from Archaeoglobus fulgidus | Descriptor: | SEPF-LIKE PROTEIN | Authors: | Duman, R, Ishikawa, S, Celik, I, Ogasawara, N, Lowe, J, Hamoen, L.W. | Deposit date: | 2013-01-08 | Release date: | 2013-11-20 | Last modified: | 2013-12-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and Genetic Analyses Reveal the Protein Sepf as a New Membrane Anchor for the Z Ring Proc.Natl.Acad.Sci.USA, 110, 2013
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7ZZU
| Inhibitory Ligand binding to HDAC2 | Descriptor: | 1,2-ETHANEDIOL, 2-[4-[(2~{R},4~{S})-4-phenylpyrrolidin-2-yl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-26 | Release date: | 2022-09-21 | Last modified: | 2022-11-02 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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7ZZP
| Structure of HDAC2 complexed with an inhibitory ligand | Descriptor: | (2S)-2-HYDROXYPROPANOIC ACID, 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-25 | Release date: | 2022-09-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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7ZZT
| Ligand binding to HDAC2 | Descriptor: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-26 | Release date: | 2022-09-21 | Last modified: | 2022-11-02 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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8A0B
| Inhibitor binding to HDAC2 | Descriptor: | 1,2-ETHANEDIOL, 1,3-dihydroisoindol-2-yl-[(2R,4S)-4-phenylpyrrolidin-1-ium-2-yl]methanone, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-27 | Release date: | 2022-09-21 | Last modified: | 2022-11-02 | Method: | X-RAY DIFFRACTION (1.746 Å) | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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7ZZS
| HDAC2 complexed with an inhibitory ligand | Descriptor: | (5~{S})-5-(4-chlorophenyl)pyrrolidin-2-one, 1,2-ETHANEDIOL, 2-(cyclohexylazaniumyl)ethanesulfonate, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-26 | Release date: | 2022-09-21 | Last modified: | 2022-11-02 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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7ZZO
| HDAC2 in complex with an inhibitor | Descriptor: | 2-(cyclohexylazaniumyl)ethanesulfonate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-25 | Release date: | 2022-09-21 | Last modified: | 2022-11-02 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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7ZZW
| Ligand binding to HDAC2 | Descriptor: | 1,2-ETHANEDIOL, 2-(cyclohexylazaniumyl)ethanesulfonate, CALCIUM ION, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-26 | Release date: | 2022-09-21 | Last modified: | 2022-11-02 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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7ZZR
| HDAC2 in complex with inhibitory ligand | Descriptor: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-26 | Release date: | 2022-09-21 | Last modified: | 2022-11-02 | Method: | X-RAY DIFFRACTION (2.168 Å) | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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7YV1
| Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor LUNA18 and KA30L Fab | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, KA30L Fab H-chain, ... | Authors: | Irie, M, Fukami, T.A, Matsuo, A, Saka, K, Nishimura, M, Saito, H, Torizawa, T, Tanada, M, Ohta, A. | Deposit date: | 2022-08-18 | Release date: | 2023-07-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.454 Å) | Cite: | Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets. J.Am.Chem.Soc., 145, 2023
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7YUZ
| Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor AP8784 | Descriptor: | AP8784, GUANOSINE-5'-DIPHOSPHATE, IODIDE ION, ... | Authors: | Irie, M, Fukami, T.A, Tanada, M, Ohta, A, Torizawa, T. | Deposit date: | 2022-08-18 | Release date: | 2023-07-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.878 Å) | Cite: | Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets. J.Am.Chem.Soc., 145, 2023
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5WPH
| Crystal structure of ArsN, N-acetyltransferase with substrate AST from Pseudomonas putida KT2440 | Descriptor: | (2S)-2-amino-4-[hydroxy(methyl)arsoryl]butanoic acid, Phosphinothricin N-acetyltransferase, SODIUM ION | Authors: | Venkadesh, S, Dheeman, D.S, Yoshinaga, M, Kandavelu, P, Rosen, B.P. | Deposit date: | 2017-08-04 | Release date: | 2018-10-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Arsinothricin, an arsenic-containing non-proteinogenic amino acid analog of glutamate, is a broad-spectrum antibiotic. Commun Biol, 2, 2019
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5JTF
| Crystal structure of ArsN N-acetyltransferase from Pseudomonas putida KT2440 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Putative Phosphinothricin N-acetyltransferase | Authors: | Venkadesh, S, Dheeman, D.S, Kandavelu, P, Rosen, B.P. | Deposit date: | 2016-05-09 | Release date: | 2017-05-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.156 Å) | Cite: | Arsinothricin, an arsenic-containing non-proteinogenic amino acid analog of glutamate, is a broad-spectrum antibiotic. Commun Biol, 2, 2019
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8JJS
| Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor AP10343 | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAA-ILE-SAR-SAR-7T2-SAR-IAE-LEU-MEA-MLE-7TK, ... | Authors: | Irie, M, Fukami, T.A, Tanada, M, Ohta, A, Torizawa, T. | Deposit date: | 2023-05-31 | Release date: | 2023-07-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.534 Å) | Cite: | Development of Orally Bioavailable Peptides Targeting an Intracellular Protein: From a Hit to a Clinical KRAS Inhibitor. J.Am.Chem.Soc., 145, 2023
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6M7G
| Crystal structure of ArsN, N-acetyltransferase with substrate phosphinothricin from Pseudomonas putida KT2440 | Descriptor: | PHOSPHINOTHRICIN, Phosphinothricin N-acetyltransferase | Authors: | Venkadesh, S, Dheeman, D.S, Yoshinaga, M, Kandavelu, P, Rosen, B.P. | Deposit date: | 2018-08-20 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.657 Å) | Cite: | Arsinothricin, an arsenic-containing non-proteinogenic amino acid analog of glutamate, is a broad-spectrum antibiotic. Commun Biol, 2, 2019
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