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: 58 件
1OEV
DownloadVisualize
BU of 1oev by Molmil
Oxidation state of protein tyrosine phosphatase 1B
分子名称: MAGNESIUM ION, PROTEIN-TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 1
著者van Montfort, R.L.M, Congreve, M, Tisi, D, Carr, R, Jhoti, H.
登録日2003-03-31
公開日2003-06-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Oxidation state of the active-site cysteine in protein tyrosine phosphatase 1B.
Nature, 423, 2003
1OEU
DownloadVisualize
BU of 1oeu by Molmil
Oxidation state of protein tyrosine phosphatase 1B
分子名称: MAGNESIUM ION, PROTEIN-TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 1
著者van Montfort, R.L.M, Congreve, M, Tisi, D, Carr, R, Jhoti, H.
登録日2003-03-31
公開日2003-06-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Oxidation state of the active-site cysteine in protein tyrosine phosphatase 1B.
Nature, 423, 2003
1OES
DownloadVisualize
BU of 1oes by Molmil
Oxidation state of protein tyrosine phosphatase 1B
分子名称: MAGNESIUM ION, PROTEIN-TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 1
著者van Montfort, R.L.M, Congreve, M, Tisi, D, Carr, R, Jhoti, H.
登録日2003-03-31
公開日2003-06-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Oxidation state of the active-site cysteine in protein tyrosine phosphatase 1B.
Nature, 423, 2003
1OET
DownloadVisualize
BU of 1oet by Molmil
Oxidation state of protein tyrosine phosphatase 1B
分子名称: -TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 1, MAGNESIUM ION
著者van Montfort, R.L.M, Congreve, M, Tisi, D, Carr, R, Jhoti, H.
登録日2003-03-31
公開日2003-06-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Oxidation state of the active-site cysteine in protein tyrosine phosphatase 1B.
Nature, 423, 2003
7ZZO
DownloadVisualize
BU of 7zzo by Molmil
HDAC2 in complex with an inhibitor
分子名称: 2-(cyclohexylazaniumyl)ethanesulfonate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Cleasby, A, Tisi, D.
登録日2022-05-25
公開日2022-09-21
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
Acs Med.Chem.Lett., 13, 2022
7ZZT
DownloadVisualize
BU of 7zzt by Molmil
Ligand binding to HDAC2
分子名称: 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, ...
著者Cleasby, A, Tisi, D.
登録日2022-05-26
公開日2022-09-21
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
Acs Med.Chem.Lett., 13, 2022
7ZZP
DownloadVisualize
BU of 7zzp by Molmil
Structure of HDAC2 complexed with an inhibitory ligand
分子名称: (2S)-2-HYDROXYPROPANOIC ACID, 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ...
著者Cleasby, A, Tisi, D.
登録日2022-05-25
公開日2022-09-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
Acs Med.Chem.Lett., 13, 2022
7ZZR
DownloadVisualize
BU of 7zzr by Molmil
HDAC2 in complex with inhibitory ligand
分子名称: 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, ...
著者Cleasby, A, Tisi, D.
登録日2022-05-26
公開日2022-09-21
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.168 Å)
主引用文献Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
Acs Med.Chem.Lett., 13, 2022
7ZZW
DownloadVisualize
BU of 7zzw by Molmil
Ligand binding to HDAC2
分子名称: 1,2-ETHANEDIOL, 2-(cyclohexylazaniumyl)ethanesulfonate, CALCIUM ION, ...
著者Cleasby, A, Tisi, D.
登録日2022-05-26
公開日2022-09-21
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
Acs Med.Chem.Lett., 13, 2022
7ZZS
DownloadVisualize
BU of 7zzs by Molmil
HDAC2 complexed with an inhibitory ligand
分子名称: (5~{S})-5-(4-chlorophenyl)pyrrolidin-2-one, 1,2-ETHANEDIOL, 2-(cyclohexylazaniumyl)ethanesulfonate, ...
著者Cleasby, A, Tisi, D.
登録日2022-05-26
公開日2022-09-21
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
Acs Med.Chem.Lett., 13, 2022
8A0B
DownloadVisualize
BU of 8a0b by Molmil
Inhibitor binding to HDAC2
分子名称: 1,2-ETHANEDIOL, 1,3-dihydroisoindol-2-yl-[(2R,4S)-4-phenylpyrrolidin-1-ium-2-yl]methanone, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ...
著者Cleasby, A, Tisi, D.
登録日2022-05-27
公開日2022-09-21
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.746 Å)
主引用文献Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
Acs Med.Chem.Lett., 13, 2022
7ZZU
DownloadVisualize
BU of 7zzu by Molmil
Inhibitory Ligand binding to HDAC2
分子名称: 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, ...
著者Cleasby, A, Tisi, D.
登録日2022-05-26
公開日2022-09-21
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
Acs Med.Chem.Lett., 13, 2022
5FPO
DownloadVisualize
BU of 5fpo by Molmil
Structure of Bacterial DNA Ligase with small-molecule ligand 1H- indazol-7-amine (AT4213) in an alternate binding site.
分子名称: 1H-indazol-7-amine, DNA LIGASE
著者Jhoti, H, Ludlow, R.F, Pathuri, P, Saini, H.K, Tickle, I.J, Tisi, D, Verdonk, M, Williams, P.A.
登録日2015-12-02
公開日2015-12-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
5FPR
DownloadVisualize
BU of 5fpr by Molmil
Structure of Bacterial DNA Ligase with small-molecule ligand pyrimidin-2-amine (AT371) in an alternate binding site.
分子名称: DNA LIGASE, PYRIMIDIN-2-AMINE, SULFATE ION
著者Jhoti, H, Ludlow, R.F, Pathuri, P, Saini, H.K, Tickle, I.J, Tisi, D, Verdonk, M, Williams, P.A.
登録日2015-12-02
公開日2015-12-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
1O70
DownloadVisualize
BU of 1o70 by Molmil
Novel Fold Revealed by the Structure of a FAS1 Domain Pair from the Insect Cell Adhesion Molecule Fasciclin I
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FASCICLIN I, SULFATE ION
著者Clout, N.J, Tisi, D, Hohenester, E.
登録日2002-10-23
公開日2003-02-13
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Novel Fold Revealed by the Structure of a Fas1 Domain Pair from the Insect Cell Adhesion Molecule Fasciclin I
Structure, 11, 2003
2W1F
DownloadVisualize
BU of 2w1f by Molmil
Structure determination of Aurora Kinase in complex with inhibitor
分子名称: N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]BENZAMIDE, SERINE/THREONINE-PROTEIN KINASE 6
著者Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G.
登録日2008-10-17
公開日2009-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
2W1G
DownloadVisualize
BU of 2w1g by Molmil
Structure determination of Aurora Kinase in complex with inhibitor
分子名称: 2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-6-(MORPHOLIN-4-IUM-4-YLMETHYL)-1H-3,1-BENZIMIDAZOL-3-IUM, SERINE/THREONINE-PROTEIN KINASE 6
著者Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G.
登録日2008-10-17
公開日2009-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
2W1C
DownloadVisualize
BU of 2w1c by Molmil
Structure determination of Aurora Kinase in complex with inhibitor
分子名称: 4-{[2-(4-{[(4-FLUOROPHENYL)CARBONYL]AMINO}-1H-PYRAZOL-3-YL)-1H-BENZIMIDAZOL-6-YL]METHYL}MORPHOLIN-4-IUM, SERINE/THREONINE-PROTEIN KINASE 6
著者Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G.
登録日2008-10-17
公開日2009-01-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
2W1E
DownloadVisualize
BU of 2w1e by Molmil
Structure determination of Aurora Kinase in complex with inhibitor
分子名称: 4-[(2-{4-[(PHENYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-5-YL)METHYL]MORPHOLIN-4-IUM, SERINE/THREONINE-PROTEIN KINASE 6
著者Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G.
登録日2008-10-17
公開日2009-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
2W1I
DownloadVisualize
BU of 2w1i by Molmil
Structure determination of Aurora Kinase in complex with inhibitor
分子名称: 4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM, JAK2
著者Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G.
登録日2008-10-17
公開日2009-01-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
2W1D
DownloadVisualize
BU of 2w1d by Molmil
Structure determination of Aurora Kinase in complex with inhibitor
分子名称: 2-(1H-pyrazol-3-yl)-1H-benzimidazole, SERINE/THREONINE-PROTEIN KINASE 6
著者Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G.
登録日2008-10-17
公開日2009-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
2W1H
DownloadVisualize
BU of 2w1h by Molmil
Fragment-Based Discovery of the Pyrazol-4-yl urea (AT9283), a Multi- targeted Kinase Inhibitor with Potent Aurora Kinase Activity
分子名称: CELL DIVISION PROTEIN KINASE 2, N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]BENZAMIDE
著者Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G.
登録日2008-10-17
公開日2009-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
6Q7K
DownloadVisualize
BU of 6q7k by Molmil
ERK2 mini-fragment binding
分子名称: 1H-imidazol-2-amine, Mitogen-activated protein kinase 1, SULFATE ION
著者O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H.
登録日2018-12-13
公開日2019-03-27
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
6QA3
DownloadVisualize
BU of 6qa3 by Molmil
ERK2 mini-fragment binding
分子名称: Mitogen-activated protein kinase 1, PYRAZOLE, SULFATE ION
著者O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H.
登録日2018-12-18
公開日2019-06-26
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
6QA1
DownloadVisualize
BU of 6qa1 by Molmil
ERK2 mini-fragment binding
分子名称: Mitogen-activated protein kinase 1, SULFATE ION, pyridin-2-amine
著者O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H.
登録日2018-12-18
公開日2019-06-26
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019

223532

件を2024-08-07に公開中

PDB statisticsPDBj update infoContact PDBjnumon