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
Search by PDB author
8AEC
DownloadVisualize
BU of 8aec by Molmil
Structure of Compound 17 bound to CK2alpha
分子名称: 2-(5-bromanyl-6-chloranyl-1H-indazol-3-yl)ethanenitrile, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Brear, P, De Fusco, C, Atkinson, E, Iegre, I, Francis, N, Venkitaraman, A, Spring, D, Hyvonen, M.
登録日2022-07-12
公開日2022-10-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action.
Rsc Med Chem, 13, 2022
8AEM
DownloadVisualize
BU of 8aem by Molmil
Structure of Compound 13 bound to CK2alpha
分子名称: 2-(5-chloranyl-1H-indol-3-yl)ethanenitrile, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Brear, P, Fusco, C, Atkinson, E, Iegre, J, Francis-Newton, N, Venkotaraman, A, Spring, D, Hyvonen, M.
登録日2022-07-13
公開日2023-03-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action.
Rsc Med Chem, 13, 2022
8AE7
DownloadVisualize
BU of 8ae7 by Molmil
The strucuture of Compound 15 bound to CK2alpha
分子名称: 2-[5,6-bis(bromanyl)-1H-indazol-3-yl]ethanenitrile, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
著者Brear, P, De Fusco, C, Atkinson, E, Frances, N, Iegre, J, Venkitaraman, A, Hyvonen, M, Spring, D.
登録日2022-07-12
公開日2023-03-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action.
Rsc Med Chem, 13, 2022
6TT2
DownloadVisualize
BU of 6tt2 by Molmil
The PH domain of Bruton's tyrosine kinase mutant R28C
分子名称: MAGNESIUM ION, Tyrosine-protein kinase BTK, ZINC ION
著者Brear, P, Wagstaff, J, Hyvonen, M.
登録日2019-12-23
公開日2020-11-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Crystal Structure of 1-methylindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C
To Be Published
6TSE
DownloadVisualize
BU of 6tse by Molmil
Crystal Structure of 1-methylindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C
分子名称: 1-methylindole-2,3-dione, MAGNESIUM ION, Tyrosine-protein kinase BTK, ...
著者Brear, P, Wagstaff, J, Hyvonen, M.
登録日2019-12-20
公開日2020-11-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Crystal Structure of 1-methylindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C
To Be Published
6TUH
DownloadVisualize
BU of 6tuh by Molmil
The PH domain of Bruton's tyrosine kinase mutant R28C
分子名称: 4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid, MAGNESIUM ION, Tyrosine-protein kinase BTK, ...
著者Brear, P, Wagstaff, J, Hyvonen, M.
登録日2020-01-07
公開日2020-11-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal Structure of 1-methylindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C
To Be Published
6TVN
DownloadVisualize
BU of 6tvn by Molmil
Crystal Structure of 5-bromoindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase
分子名称: 5-bromanyl-1,3-dihydroindol-2-one, MAGNESIUM ION, Tyrosine-protein kinase BTK, ...
著者Brear, P, Wagstaff, J, Hyvonen, M.
登録日2020-01-10
公開日2020-11-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Crystal Structure of 1-methylindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C
To Be Published
7Z8O
DownloadVisualize
BU of 7z8o by Molmil
Crystal structure of SARS-CoV-2 S RBD in complex with a stapled peptide
分子名称: 2,4,6-tris(chloromethyl)-1,3,5-triazine, GLYCEROL, Spike protein S1, ...
著者Brear, P, Chen, L, Gaynor, K, Harman, M, Dods, R, Hyvonen, M.
登録日2022-03-18
公開日2023-06-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献Multivalent bicyclic peptides are an effective antiviral modality that can potently inhibit SARS-CoV-2.
Nat Commun, 14, 2023
4XJ8
DownloadVisualize
BU of 4xj8 by Molmil
Crystal structure of apo NanB sialidase from streptococcus pneumoniae at pH 5.0 in 50mM sodium Acetate with DMSO
分子名称: Sialidase B
著者Brear, P.
登録日2015-01-08
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.749 Å)
主引用文献`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
8BN1
DownloadVisualize
BU of 8bn1 by Molmil
The structures of Ace2 in complex with bicyclic peptide inhibitor
分子名称: 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, ALA-CYS-VAL-ARG-SER-4PH-CYS-SER-SER-LEU-LEU-PRO-ARG-ILE-HIS-CYS-ALA-NH2, Processed angiotensin-converting enzyme 2, ...
著者Brear, P, Lulla, A, Harman, M, Dods, R, Chen, L, Bezerra, G, Demydchuk, Y, Stanway, S, Hyvonen, M.
登録日2022-11-11
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Structure-Guided Chemical Optimization of Bicyclic Peptide ( Bicycle ) Inhibitors of Angiotensin-Converting Enzyme 2.
J.Med.Chem., 66, 2023
8BYJ
DownloadVisualize
BU of 8byj by Molmil
The structures of Ace2 in complex with bicyclic peptide inhibitor
分子名称: 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, ALA-CYS-VAL-ARG-SER-HIS-CYS-SER-SER-LEU-LEU-PRO-ARG-ILE-HIS-CYS-ALA, Processed angiotensin-converting enzyme 2, ...
著者Brear, P, Lulla, A, Harman, M, Dods, R, Chen, L, Bezerra, G, Demydchuk, Y, Stanway, S, Hyvonen, M.
登録日2022-12-13
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structure-Guided Chemical Optimization of Bicyclic Peptide ( Bicycle ) Inhibitors of Angiotensin-Converting Enzyme 2.
J.Med.Chem., 66, 2023
8BFW
DownloadVisualize
BU of 8bfw by Molmil
The structures of Ace2 in complex with bicyclic peptide inhibitor
分子名称: 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, ALA-CYS-VAL-ARG-SER-HIS-CYS-SER-SER-LEU-LEU-PRO-ARG-ILE-HIS-CYS-ALA-NH2, Processed angiotensin-converting enzyme 2
著者Brear, P, Lulla, A, Harman, M, Dods, R, Chen, L, Bezerra, G, Demydchuk, Y, Stanway, S, Hyvonen, M.
登録日2022-10-27
公開日2023-10-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Structure-Guided Chemical Optimization of Bicyclic Peptide ( Bicycle ) Inhibitors of Angiotensin-Converting Enzyme 2.
J.Med.Chem., 66, 2023
4XE9
DownloadVisualize
BU of 4xe9 by Molmil
Crystal structure of the NanB sialidase from Streptococcus pneumoniae in complex with Optactin
分子名称: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, DIMETHYL SULFOXIDE, Sialidase B
著者Brear, P.
登録日2014-12-23
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XHB
DownloadVisualize
BU of 4xhb by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with pentanediol and CHES
分子名称: (1R,2S)-cyclopentane-1,2-diol, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Sialidase B
著者Brear, P.
登録日2015-01-05
公開日2016-01-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XJW
DownloadVisualize
BU of 4xjw by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with Optactin at pH 7.4 in PBS with DMSO as the cryoprotectant
分子名称: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
著者Brear, P.
登録日2015-01-09
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XOG
DownloadVisualize
BU of 4xog by Molmil
CRYSTAL STRUCTURE OF THE NANB SIALIDASE FROM STREPTOCOCCUS PNEUMONIAE IN COMPLEX WITH Optactin and DANA
分子名称: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, DIMETHYL SULFOXIDE, ...
著者Brear, P.
登録日2015-01-16
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XJ9
DownloadVisualize
BU of 4xj9 by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with Optactin at pH 5.0 in 50mM Sodium Acetate with DMSO as the cryoprotectant
分子名称: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, DIMETHYL SULFOXIDE, Sialidase B
著者Brear, P.
登録日2015-01-08
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XJZ
DownloadVisualize
BU of 4xjz by Molmil
Crystal structure of apo NanB sialidase from streptococcus pneumoniae at pH 7.4 in PBS with DMSO
分子名称: DIMETHYL SULFOXIDE, PHOSPHATE ION, Sialidase B
著者Brear, P.
登録日2015-01-09
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XIO
DownloadVisualize
BU of 4xio by Molmil
Crystal structure of apo NanB sialidase from streptococcus pneumoniae at pH 8.0 with MPD as the cryoprotectant
分子名称: Sialidase B
著者Brear, P.
登録日2015-01-07
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XJU
DownloadVisualize
BU of 4xju by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 4-acetamido-2-fluoro-3-hydroxy-6-[1,2-dihydroxyethyl]-7,8-dioxabicyclo[3.2.1]octane-1-carboxylic acid
分子名称: (1R,2R,3R,4R,5R,7R)-2-(acetylamino)-7-[(1R)-1,2-dihydroxyethyl]-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
著者Brear, P.
登録日2015-01-09
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XHX
DownloadVisualize
BU of 4xhx by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with Optactin and 2-[(3-Chlorobenzyl)ammonio]ethanesulfonate
分子名称: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, 2-[(3-chlorobenzyl)amino]ethanesulfonic acid, DIMETHYL SULFOXIDE, ...
著者Brear, P.
登録日2015-01-06
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XIK
DownloadVisualize
BU of 4xik by Molmil
Crystal structure of NanB sialidase from streptococcus pneumoniae in complex with DMSO
分子名称: DIMETHYL SULFOXIDE, Sialidase B
著者Brear, P.
登録日2015-01-07
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XIL
DownloadVisualize
BU of 4xil by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with Optactin at pH 7.4 in PBS with MPD as the cryoprotectant
分子名称: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, Sialidase B
著者Brear, P.
登録日2015-01-07
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XMA
DownloadVisualize
BU of 4xma by Molmil
Crystal structure of the K499G mutant of NanB sialidase from streptococcus pneumoniae in complex with Optactin
分子名称: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, DIMETHYL SULFOXIDE, Sialidase B
著者Brear, P.
登録日2015-01-14
公開日2016-02-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XJA
DownloadVisualize
BU of 4xja by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 5-acetamido-2,3-difluoro-3-hydroxy-6-[1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
分子名称: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, (2R,3R,4R,5R,6R)-5-acetamido-2,3-difluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxylic acid, DIMETHYL SULFOXIDE, ...
著者Brear, P.
登録日2015-01-08
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published

221051

件を2024-06-12に公開中

PDB statisticsPDBj update infoContact PDBjnumon