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7DQS
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BU of 7dqs by Molmil
E. coli GyrB ATPase domain in complex with 2-chlorophenol
分子名称: 1H-benzimidazol-2-amine, 2-CHLOROPHENOL, DNA gyrase subunit B, ...
著者Yu, Y, Zhou, H.
登録日2020-12-24
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DPR
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BU of 7dpr by Molmil
E. coli GyrB ATPase domain in complex with methyl 3,4-dihydroxybenzoate
分子名称: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ...
著者Yu, Y, Zhou, H.
登録日2020-12-21
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DQI
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BU of 7dqi by Molmil
E. coli GyrB ATPase domain in complex with Esculetin
分子名称: 1H-benzimidazol-2-amine, 6,7-bis(oxidanyl)chromen-2-one, DNA gyrase subunit B, ...
著者Yu, Y, Zhou, H.
登録日2020-12-23
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DQM
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BU of 7dqm by Molmil
E. coli GyrB ATPase domain in complex with Naringenin
分子名称: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ...
著者Yu, Y, Zhou, H.
登録日2020-12-24
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DQJ
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BU of 7dqj by Molmil
E. coli GyrB ATPase domain in complex with 3,4-Dihydroxyacetophenone
分子名称: 1-[3,4-bis(oxidanyl)phenyl]ethanone, 1H-benzimidazol-2-amine, DNA gyrase subunit B, ...
著者Yu, Y, Zhou, H.
登録日2020-12-24
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DQL
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BU of 7dql by Molmil
E. coli GyrB ATPase domain in complex with 4-chlorobenzene-1,2-diol
分子名称: 1H-benzimidazol-2-amine, 4-CHLOROBENZENE-1,2-DIOL, DNA gyrase subunit B, ...
著者Yu, Y, Zhou, H.
登録日2020-12-24
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DOR
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BU of 7dor by Molmil
E. coli GyrB ATPase domain in complex with 4-nitropheno
分子名称: 1H-benzimidazol-2-amine, DNA gyrase subunit B, P-NITROPHENOL, ...
著者Yu, Y, Zhou, H.
登録日2020-12-16
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DQF
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BU of 7dqf by Molmil
E. coli GyrB ATPase domain in complex with methyl 2,4-dihydroxybenzoate
分子名称: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ...
著者Yu, Y, Zhou, H.
登録日2020-12-23
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DQU
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BU of 7dqu by Molmil
E. coli GyrB ATPase domain in complex with methyl 4-hydroxybenzoate
分子名称: 1H-benzimidazol-2-amine, 4-HYDROXY-BENZOIC ACID METHYL ESTER, DNA gyrase subunit B, ...
著者Yu, Y, Zhou, H.
登録日2020-12-24
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DKH
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BU of 7dkh by Molmil
Crystal structure of the Ctr9/Paf1/Cdc73/Rtf1 quaternary complex
分子名称: Cell division control protein 73, RNA polymerase II-associated protein 1, RNA polymerase-associated protein CTR9, ...
著者Chen, F.L, Liu, B.B, Guo, L, Li, D.F, Zhou, H, Long, J.F.
登録日2020-11-24
公開日2021-11-24
最終更新日2022-01-05
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structure of the Core Module of the Yeast Paf1 Complex.
J.Mol.Biol., 434, 2021
7EDR
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BU of 7edr by Molmil
The crystal structure of the FERM and C-terminal domain complex of Drosophila Merlin
分子名称: Moesin/ezrin/radixin homolog 2
著者Zhang, F, Long, J, Zhou, H.
登録日2021-03-16
公開日2021-04-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.527 Å)
主引用文献The crystal structure of the FERM and C-terminal domain complex of Drosophila Merlin.
Biochem.Biophys.Res.Commun., 553, 2021
7D5C
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BU of 7d5c by Molmil
IleRS in complex with a tRNA site inhibitor
分子名称: (2E,4S,5S,6E,8E)-10-[(2S,3R,6S,8R,9S)-3-butyl-9-methyl-2-[(1E,3E)-3-methyl-5-oxidanyl-5-oxidanylidene-penta-1,3-dienyl]-3-(4-oxidanyl-4-oxidanylidene-butanoyl)oxy-1,7-dioxaspiro[5.5]undecan-8-yl]-4,8-dimethyl-5-oxidanyl-deca-2,6,8-trienoic acid, 1,2-ETHANEDIOL, Isoleucine--tRNA ligase, ...
著者Chen, B, Luo, S, Zhou, H.
登録日2020-09-25
公開日2021-02-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.895 Å)
主引用文献Inhibitory mechanism of reveromycin A at the tRNA binding site of a class I synthetase.
Nat Commun, 12, 2021
7CBI
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BU of 7cbi by Molmil
Crystal structure of threonyl-tRNA synthetase (ThrRS) from Salmonella enterica in complex with an inhibitor
分子名称: 1,2-ETHANEDIOL, 5-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)pentyl (2~{S},3~{R})-2-azanyl-3-oxidanyl-butanoate, GLYCEROL, ...
著者Guo, J, Chen, B, Zhou, H.
登録日2020-06-12
公開日2020-10-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Structure-guided optimization and mechanistic study of a class of quinazolinone-threonine hybrids as antibacterial ThrRS inhibitors.
Eur.J.Med.Chem., 207, 2020
7EIV
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BU of 7eiv by Molmil
heterotetrameric glycyl-tRNA synthetase from Escherichia coli
分子名称: GLYCINE, Glycine--tRNA ligase alpha subunit, Glycine--tRNA ligase beta subunit, ...
著者Ju, Y, Zhou, H.
登録日2021-03-31
公開日2021-08-11
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献X-shaped structure of bacterial heterotetrameric tRNA synthetase suggests cryptic prokaryote functions and a rationale for synthetase classifications.
Nucleic Acids Res., 49, 2021
6XOQ
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BU of 6xoq by Molmil
DCN1 covalently bound to inhibitor 4
分子名称: (2E)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(morpholin-4-yl)but-2-enamide, Lysozyme, DCN1-like protein 1 chimera
著者Stuckey, J.A.
登録日2020-07-07
公開日2021-06-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity.
Nat Commun, 12, 2021
6XOM
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BU of 6xom by Molmil
DCN1 bound to 8
分子名称: (2R)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-2-methyl-4-(morpholin-4-yl)butanamide, 1,2-ETHANEDIOL, Lysozyme, ...
著者Stuckey, J.A.
登録日2020-07-07
公開日2021-06-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity.
Nat Commun, 12, 2021
6XOO
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BU of 6xoo by Molmil
DCN1 bound to DI-1859
分子名称: Lysozyme, DCN1-like protein 1 chimera, N-{(1S)-1-cyclohexyl-2-[(2-methylpropanoyl)amino]ethyl}-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide
著者Stuckey, J.A.
登録日2020-07-07
公開日2021-06-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity.
Nat Commun, 12, 2021
6XOL
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BU of 6xol by Molmil
DCN1 bound to DI-1548
分子名称: Lysozyme, DCN1-like protein 1 chimera, N-{(1S)-1-cyclohexyl-2-[(2-methylpropanoyl)amino]ethyl}-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide
著者Stuckey, J.A.
登録日2020-07-07
公開日2021-06-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity.
Nat Commun, 12, 2021
6XOP
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BU of 6xop by Molmil
DCN1 bound to inhibitor 10
分子名称: Lysozyme, DCN1-like protein 1 chimera, N-[(1S)-1-cyclohexyl-2-{[(2S)-3-(1H-imidazol-1-yl)-2-methylpropanoyl]amino}ethyl]-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide
著者Stuckey, J.A.
登録日2020-07-07
公開日2021-06-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity.
Nat Commun, 12, 2021
6XON
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BU of 6xon by Molmil
DCN1 bound to inhibitor 9
分子名称: (2S)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(dimethylamino)-2-methylbutanamide, Lysozyme DCN1-like protein 1 chimera
著者Stuckey, J.A.
登録日2020-07-07
公開日2021-06-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity.
Nat Commun, 12, 2021
6OCO
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BU of 6oco by Molmil
HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 6
分子名称: 4-[(1S,4S)-5-(3-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(pyridin-3-yl)pyrimidine-5-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Lesburg, C.A, Augustin, M.A.
登録日2019-03-25
公開日2019-12-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Discovery and optimization of heteroaryl piperazines as potent and selective PI3K delta inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
6B5Q
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BU of 6b5q by Molmil
DCN1 bound to 38
分子名称: DCN1-like protein 1, Peptidomimetic Inhibitors DI-591, TRIETHYLENE GLYCOL
著者Stuckey, J.
登録日2017-09-29
公開日2018-02-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献High-Affinity Peptidomimetic Inhibitors of the DCN1-UBC12 Protein-Protein Interaction.
J. Med. Chem., 61, 2018
4XEO
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BU of 4xeo by Molmil
Crystal Structure of human AlaRS catalytic domain with R329H mutation
分子名称: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE, Alanine--tRNA ligase, cytoplasmic, ...
著者Zhou, H, He, W, Yang, X.L.
登録日2014-12-24
公開日2015-12-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Crystal structure of human AlaRS catalytic domain with R329H mutation
To Be Published
3DXX
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BU of 3dxx by Molmil
Crystal structure of EcTrmB
分子名称: GLYCEROL, tRNA (guanine-N(7)-)-methyltransferase
著者Zhou, H.H, Liu, Q, Gao, Y.X, Teng, M.K, Niu, L.W.
登録日2008-07-25
公開日2009-05-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Monomeric tRNA (m(7)G46) methyltransferase from Escherichia coli presents a novel structure at the function-essential insertion
Proteins, 76, 2009
4I80
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BU of 4i80 by Molmil
Crystal structure of human menin in complex with a high-affinity macrocyclic peptidomimetics
分子名称: Menin, macrocyclic peptidomimetic
著者Huang, J, Lei, M.
登録日2012-12-01
公開日2013-03-06
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure-Based Design of High-Affinity Macrocyclic Peptidomimetics to Block the Menin-Mixed Lineage Leukemia 1 (MLL1) Protein-Protein Interaction.
J.Med.Chem., 56, 2013

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