Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
PDB: 184 件
4PCI
DownloadVisualize
BU of 4pci by Molmil
Crystal Structure of the first bromodomain of BRD4 in complex with B16
分子名称: (4S)-1-methyl-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
著者Dong, J, Caflisch, A.
登録日2014-04-15
公開日2014-05-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Discovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking.
Bioorg.Med.Chem.Lett., 24, 2014
8IM3
DownloadVisualize
BU of 8im3 by Molmil
Crystal structure of human HPPD complexed with compound a10
分子名称: 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION, [1,3-diethyl-2,2-bis(oxidanylidene)-2$l^{6},1,3-benzothiadiazol-5-yl]-(1-methyl-5-oxidanyl-pyrazol-4-yl)methanone
著者Dong, J, Lin, H.-Y.
登録日2023-03-05
公開日2023-10-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Structure-based discovery of pyrazole-benzothiadiazole hybrid as human HPPD inhibitors.
Structure, 31, 2023
8IM2
DownloadVisualize
BU of 8im2 by Molmil
Crystal structure of human HPPD complexed with NTBC
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-1,3-DIONE, 4-hydroxyphenylpyruvate dioxygenase, ...
著者Dong, J, Lin, H.-Y, Yang, G.-F.
登録日2023-03-05
公開日2023-10-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Structure-based discovery of pyrazole-benzothiadiazole hybrid as human HPPD inhibitors.
Structure, 31, 2023
5EIC
DownloadVisualize
BU of 5eic by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with AYC
分子名称: 1,2-ETHANEDIOL, 2-[(chloroacetyl)amino]-5-[(E)-(4-sulfophenyl)diazenyl]benzenesulfonic acid, CREB-binding protein
著者Dong, J, Caflisch, A.
登録日2015-10-29
公開日2016-11-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
5ENG
DownloadVisualize
BU of 5eng by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with UP39
分子名称: CREB-binding protein, methyl 2-[2-(3,5-dihydro-2~{H}-pyrazin-4-yl)ethoxy]-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]benzoate
著者Dong, J, Caflisch, A.
登録日2015-11-09
公開日2016-11-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
5EP7
DownloadVisualize
BU of 5ep7 by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with UN32
分子名称: 3-[(1-methyl-6-oxidanylidene-pyridin-3-yl)carbonylamino]benzoic acid, CREB-binding protein
著者Dong, J, Caflisch, A.
登録日2015-11-11
公開日2016-11-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.198 Å)
主引用文献Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
5E0R
DownloadVisualize
BU of 5e0r by Molmil
Crystal Structure of the first bromodomain of BRD4 in complex with AYC
分子名称: 2-[(chloroacetyl)amino]-5-[(E)-(4-sulfophenyl)diazenyl]benzenesulfonic acid, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE
著者Dong, J, Caflisch, A.
登録日2015-09-29
公開日2016-10-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.352 Å)
主引用文献Crystal Structure of the first bromodomain of BRD4 in complex with AYC
To Be Published
5EPB
DownloadVisualize
BU of 5epb by Molmil
Crystal structure of the bromodomain of human ATAD2 in complex with Compound 49
分子名称: ATPase family AAA domain-containing protein 2, SULFATE ION, ~{N}-[(2~{S})-2-morpholin-4-ylpropyl]-4-oxidanylidene-3,5-dihydro-2~{H}-1,5-benzothiazepine-7-carboxamide
著者Dong, J, Caflisch, A.
登録日2015-11-11
公開日2016-11-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of the bromodomain of human ATAD2 in complex with Compound 49
To Be Published
5F3A
DownloadVisualize
BU of 5f3a by Molmil
Crystal structure of the bromodomain of human ATAD2 in complex with Compound A14
分子名称: ATPase family AAA domain-containing protein 2, SULFATE ION, ~{N}-(4-ethanoyl-1,3-thiazol-2-yl)azetidin-1-ium-3-carboxamide
著者Dong, J, Caflisch, A.
登録日2015-12-02
公開日2016-12-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Crystal structure of the bromodomain of human ATAD2 in complex with Compound A14
To Be Published
5F36
DownloadVisualize
BU of 5f36 by Molmil
Crystal structure of the bromodomain of human ATAD2 in complex with Compound A12
分子名称: ATPase family AAA domain-containing protein 2, CHLORIDE ION, SULFATE ION, ...
著者Dong, J, Caflisch, A.
登録日2015-12-02
公開日2016-12-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
8GQT
DownloadVisualize
BU of 8gqt by Molmil
Structure of Mpro complexed with Quercetin
分子名称: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, 3C-like proteinase nsp5
著者Dong, J, Yang, G.-F.
登録日2022-08-30
公開日2023-08-30
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structure of Mpro complexed with Quercetin
To Be Published
8HZA
DownloadVisualize
BU of 8hza by Molmil
Crystal structure of AtHPPD-YH20326 complex
分子名称: 1,4-dimethyl-3-(oxan-4-ylmethyl)-5-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-benzimidazol-2-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
著者Dong, J, Lin, H.-Y, Yang, G.-F.
登録日2023-01-08
公開日2023-12-20
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Crystal structure of AtHPPD-YH20326 complex
To Be Published
8HXH
DownloadVisualize
BU of 8hxh by Molmil
Crystal structure of AtHPPD-Y18024 complex
分子名称: 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-propyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
著者Dong, J, Lin, H.-Y, Yang, G.-F.
登録日2023-01-04
公開日2023-12-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.992 Å)
主引用文献Crystal structure of AtHPPD-Y18024 complex
To Be Published
8HYS
DownloadVisualize
BU of 8hys by Molmil
Crystal structure of AtHPPD-Y19802 complex
分子名称: 1-methyl-3-[2-methyl-6-methylsulfonyl-3-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-phenyl]-6-(trifluoromethyl)pyrimidine-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
著者Dong, J, Lin, H.-Y, Yang, G.-F.
登録日2023-01-07
公開日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of AtHPPD-Y19802 complex
To Be Published
8HZ7
DownloadVisualize
BU of 8hz7 by Molmil
Crystal structure of AtHPPD-Y181135 complex
分子名称: 3-butyl-5-methyl-6-[(2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-1,2,3-benzotriazin-4-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
著者Dong, J, Lin, H.-Y, Yang, G.-F.
登録日2023-01-08
公開日2023-12-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献Crystal structure of AtHPPD-Y181135 complex
To Be Published
8I0G
DownloadVisualize
BU of 8i0g by Molmil
Crystal structure of AtHPPD-Y19543 complex
分子名称: 3-[(4-fluorophenyl)methyl]-5-methyl-6-[(2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-1,2,3-benzotriazin-4-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
著者Dong, J, Lin, H.-Y, Yang, G.-F.
登録日2023-01-10
公開日2023-12-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.992 Å)
主引用文献Crystal structure of AtHPPD-Y19543 complex
To Be Published
8HWR
DownloadVisualize
BU of 8hwr by Molmil
Crystal structure of AtHPPD-Y191193 complex
分子名称: 4-hydroxyphenylpyruvate dioxygenase, 6-chloranyl-3-cyclopentyl-1-methyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexa-1,3-dien-1-yl)carbonyl-quinazoline-2,4-dione, COBALT (II) ION
著者Dong, J, Lin, H.-Y, Yang, G.-F.
登録日2023-01-02
公開日2023-12-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Crystal structure of AtHPPD-Y191193 complex
To Be Published
8I2P
DownloadVisualize
BU of 8i2p by Molmil
Crystal structure of AtHPPD-Y19060 complex
分子名称: 3-(cyclopropylmethyl)-6-[(5-cyclopropyl-2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-1,5-dimethyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
著者Dong, J, Lin, H.-Y, Yang, G.-F.
登録日2023-01-14
公開日2023-12-20
実験手法X-RAY DIFFRACTION (1.797 Å)
主引用文献Crystal structure of AtHPPD-Y19060 complex
To Be Published
8HYP
DownloadVisualize
BU of 8hyp by Molmil
Crystal structure of AtHPPD-Y18400 complex
分子名称: 3-[(4-fluorophenyl)methyl]-1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
著者Dong, J, Lin, H.-Y, Yang, G.-F.
登録日2023-01-07
公開日2023-12-20
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.749 Å)
主引用文献Crystal structure of AtHPPD-Y18400 complex
To Be Published
8I36
DownloadVisualize
BU of 8i36 by Molmil
Crystal structure of AtHPPD-Y18980 complex
分子名称: 1,5-dimethyl-3-(naphthalen-1-ylmethyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
著者Dong, J, Lin, H.-Y, Yang, G.-F.
登録日2023-01-16
公開日2023-12-20
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.887 Å)
主引用文献Crystal structure of AtHPPD-Y18980 complex
To Be Published
8HXF
DownloadVisualize
BU of 8hxf by Molmil
Crystal structure of AtHPPD-Y181188 complex
分子名称: 4-hydroxyphenylpyruvate dioxygenase, 6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-benzothiazin-3-one, COBALT (II) ION
著者Dong, J, Lin, H.-Y, Yang, G.-F.
登録日2023-01-04
公開日2023-12-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.697 Å)
主引用文献Crystal structure of AtHPPD-Y181188 complex
To Be Published
8HX4
DownloadVisualize
BU of 8hx4 by Molmil
Crystal structure of AtHPPD-Y18549 complex
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-hydroxyphenylpyruvate dioxygenase, 6-[(R)-[(2R,6R)-2,6-bis(oxidanyl)cyclohexyl]-oxidanyl-methyl]-3-(4,6-dimethylpyrimidin-2-yl)-1,5-dimethyl-quinazoline-2,4-dione, ...
著者Dong, J, Lin, H.-Y, Yang, G.-F.
登録日2023-01-03
公開日2023-12-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.896 Å)
主引用文献Crystal structure of AtHPPD-Y18549 complex
To Be Published
8HX2
DownloadVisualize
BU of 8hx2 by Molmil
Crystal structure of AtHPPD-Y18405 complex
分子名称: 3-[2-(3-chlorophenyl)ethyl]-1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexa-1,3-dien-1-yl)carbonyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
著者Dong, J, Lin, H.-Y, Yang, G.-F.
登録日2023-01-03
公開日2023-12-20
実験手法X-RAY DIFFRACTION (1.996 Å)
主引用文献Crystal structure of AtHPPD-Y18405 complex
To Be Published
8HZ9
DownloadVisualize
BU of 8hz9 by Molmil
Crystal structure of AtHPPD-Y181136 complex
分子名称: 4-hydroxyphenylpyruvate dioxygenase, 5-methyl-6-[(2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-3-propan-2-yl-1,2,3-benzotriazin-4-one, COBALT (II) ION
著者Dong, J, Lin, H.-Y, Yang, G.-F.
登録日2023-01-08
公開日2023-12-20
実験手法X-RAY DIFFRACTION (2.011 Å)
主引用文献Crystal structure of AtHPPD-Y181136 complex
To Be Published
8HZ6
DownloadVisualize
BU of 8hz6 by Molmil
Crystal structure of AtHPPD-QRY2089 complex
分子名称: 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-prop-2-ynyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
著者Dong, J, Lin, H.-Y, Yang, G.-F.
登録日2023-01-08
公開日2023-12-20
実験手法X-RAY DIFFRACTION (1.605 Å)
主引用文献Crystal structure of AtHPPD-QRY2089 complex
To Be Published

226707

件を2024-10-30に公開中

PDB statisticsPDBj update infoContact PDBjnumon