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2XXP
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BU of 2xxp by Molmil
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
2XXQ
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BU of 2xxq by Molmil
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
3WR7
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BU of 3wr7 by Molmil
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
3TFL
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BU of 3tfl by Molmil
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
3TEL
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BU of 3tel by Molmil
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
3TEP
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BU of 3tep by Molmil
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
3ZII
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BU of 3zii by Molmil
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
3ZIH
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BU of 3zih by Molmil
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
3ZIG
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BU of 3zig by Molmil
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
3ZIE
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BU of 3zie by Molmil
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
7ZZU
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BU of 7zzu by Molmil
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
7ZZP
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BU of 7zzp by Molmil
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
7ZZT
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BU of 7zzt by Molmil
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
8A0B
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BU of 8a0b by Molmil
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
7ZZS
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BU of 7zzs by Molmil
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
7ZZO
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BU of 7zzo by Molmil
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
7ZZW
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BU of 7zzw by Molmil
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
7ZZR
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BU of 7zzr by Molmil
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
7YV1
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BU of 7yv1 by Molmil
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
7YUZ
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BU of 7yuz by Molmil
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
5WPH
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BU of 5wph by Molmil
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
5JTF
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BU of 5jtf by Molmil
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
8JJS
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BU of 8jjs by Molmil
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
6M7G
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BU of 6m7g by Molmil
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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PDB entries from 2024-03-27

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