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
1F1J
DownloadVisualize
BU of 1f1j by Molmil
CRYSTAL STRUCTURE OF CASPASE-7 IN COMPLEX WITH ACETYL-ASP-GLU-VAL-ASP-CHO
分子名称: ACE-ASP-GLU-VAL-ASP-CHO, CASPASE-7 PROTEASE, SULFATE ION
著者Wei, Y, Charifson, P.S.
登録日2000-05-19
公開日2001-05-23
最終更新日2013-07-03
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The structures of caspases-1, -3, -7 and -8 reveal the basis for substrate and inhibitor selectivity.
Chem.Biol., 7, 2000
1A1A
DownloadVisualize
BU of 1a1a by Molmil
C-SRC (SH2 DOMAIN WITH C188A MUTATION) COMPLEXED WITH ACE-FORMYL PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE)
分子名称: ACE-FORMYL PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE), C-SRC TYROSINE KINASE
著者Shewchuk, L, Jordan, S.
登録日1997-12-10
公開日1998-04-08
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Peptide ligands of pp60(c-src) SH2 domains: a thermodynamic and structural study.
Biochemistry, 36, 1997
1A08
DownloadVisualize
BU of 1a08 by Molmil
C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-DIFLUORO PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE)
分子名称: ACE-DIFLUORO PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE), C-SRC TYROSINE KINASE
著者Shewchuk, L, Jordan, S.
登録日1997-12-09
公開日1998-04-08
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Peptide ligands of pp60(c-src) SH2 domains: a thermodynamic and structural study.
Biochemistry, 36, 1997
1A07
DownloadVisualize
BU of 1a07 by Molmil
C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-MALONYL TYR-GLU-(N,N-DIPENTYL AMINE)
分子名称: ACE-MALONYL TYR-GLU-(N,N-DIPENTYL AMINE), C-SRC TYROSINE KINASE
著者Shewchuk, L, Jordan, S.
登録日1997-12-09
公開日1998-04-08
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Peptide ligands of pp60(c-src) SH2 domains: a thermodynamic and structural study.
Biochemistry, 36, 1997
1A1C
DownloadVisualize
BU of 1a1c by Molmil
C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-PHOSPHOTYR-GLU-(N-ME(-(CH2)3-CYCLOPENTYL))
分子名称: ACE-PHOSPHOTYR-GLU-(N-ME(-(CH2)3-CYCLOPENTYL)), C-SRC TYROSINE KINASE
著者Shewchuk, L, Jordan, S.
登録日1997-12-10
公開日1998-04-08
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Peptide ligands of pp60(c-src) SH2 domains: a thermodynamic and structural study.
Biochemistry, 36, 1997
1A1B
DownloadVisualize
BU of 1a1b by Molmil
C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE)
分子名称: ACE-PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE), C-SRC TYROSINE KINASE
著者Shewchuk, L, Jordan, S.
登録日1997-12-10
公開日1998-04-08
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Peptide ligands of pp60(c-src) SH2 domains: a thermodynamic and structural study.
Biochemistry, 36, 1997
1A09
DownloadVisualize
BU of 1a09 by Molmil
C-src (SH2 domain) complexed with ace-formyl phosphotyr-glu-(n,n-dipentyl amine)
分子名称: ACE-FORMYL PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE), C-SRC TYROSINE KINASE
著者Shewchuk, L, Jordan, S.
登録日1997-12-10
公開日1998-04-08
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Peptide ligands of pp60(c-src) SH2 domains: a thermodynamic and structural study.
Biochemistry, 36, 1997
1A1E
DownloadVisualize
BU of 1a1e by Molmil
C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-PHOSPHOTYR-GLU-(3-BUTYLPIPERIDINE)
分子名称: ACE-PHOSPHOTYR-GLU-(3-BUTYLPIPERIDINE), C-SRC TYROSINE KINASE
著者Shewchuk, L, Jordan, S.
登録日1997-12-10
公開日1998-04-08
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Peptide ligands of pp60(c-src) SH2 domains: a thermodynamic and structural study.
Biochemistry, 36, 1997
4NCM
DownloadVisualize
BU of 4ncm by Molmil
Influenza polymerase basic protein 2 (PB2) bound to a small-molecule inhibitor
分子名称: N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N,N-dimethyl-L-alaninamide, Polymerase basic protein 2
著者Jacobs, M.D.
登録日2013-10-24
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2.
J.Med.Chem., 57, 2014
3G7E
DownloadVisualize
BU of 3g7e by Molmil
Crystal structure of E. coli Gyrase B co-complexed with PROP-2-YN-1-YL {[5-(4-PIPERIDIN-1-YL-2-PYRIDIN-3-YL-1,3-THIAZOL-5-YL)-1H-PYRAZOL-3-YL]METHYL}CARBAMATE inhibitor
分子名称: DNA gyrase subunit B, prop-2-yn-1-yl {[5-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazol-3-yl]methyl}carbamate
著者Wei, Y, Charifson, P.
登録日2009-02-09
公開日2010-02-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of pyrazolthiazoles as novel and potent inhibitors of bacterial gyrase.
Bioorg.Med.Chem.Lett., 20, 2010
3G75
DownloadVisualize
BU of 3g75 by Molmil
Crystal structure of Staphylococcus aureus Gyrase B co-complexed with 4-METHYL-5-[3-(METHYLSULFANYL)-1H-PYRAZOL-5-YL]-2-THIOPHEN-2-YL-1,3-THIAZOLE inhibitor
分子名称: 4-methyl-5-[3-(methylsulfanyl)-1H-pyrazol-5-yl]-2-thiophen-2-yl-1,3-thiazole, DNA gyrase subunit B
著者Wei, Y, Charifson, P.
登録日2009-02-09
公開日2010-02-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of pyrazolthiazoles as novel and potent inhibitors of bacterial gyrase.
Bioorg.Med.Chem.Lett., 20, 2010
4YD0
DownloadVisualize
BU of 4yd0 by Molmil
Influenza polymerase basic protein 2 (PB2) bound to an azaindole-tetrazole inhibitor
分子名称: 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-N-[(1R,2S,3S,4R)-3-(1H-tetrazol-5-yl)bicyclo[2.2.2]oct-2-yl]pyrimidin-4-amine, Polymerase basic protein 2
著者Jacobs, M.D.
登録日2015-02-20
公開日2015-04-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Isosteric replacements of the carboxylic acid of drug candidate VX-787: Effect of charge on antiviral potency and kinase activity of azaindole-based influenza PB2 inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
5BUH
DownloadVisualize
BU of 5buh by Molmil
Influenza PB2 bound to a hydroxymethyl azaindole inhibitor
分子名称: N-[(1R,3S)-3-({5-fluoro-2-[5-fluoro-2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl}amino)cyclohexyl]pyrrolidine-1-carboxamide, Polymerase basic protein 2
著者Jacobs, M.D.
登録日2015-06-03
公開日2016-06-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Novel 2-Substituted 7-Azaindole and 7-Azaindazole Analogues as Potential Antiviral Agents for the Treatment of Influenza.
ACS Med Chem Lett, 8, 2017
5F79
DownloadVisualize
BU of 5f79 by Molmil
Influenza PB2 bound to an azaindole inhibitor
分子名称: N-[(1R,3S)-3-({5-fluoro-2-[5-fluoro-2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl}amino)cyclohexyl]pyrrolidine-1-carboxamide, Polymerase basic protein 2
著者Jacobs, M.D.
登録日2015-12-07
公開日2016-12-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Novel 2-Substituted 7-Azaindole and 7-Azaindazole Analogues as Potential Antiviral Agents for the Treatment of Influenza.
ACS Med Chem Lett, 8, 2017
5JUR
DownloadVisualize
BU of 5jur by Molmil
PB2 bound to an azaindole inhibitor
分子名称: (3~{R})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-4,4-dimethyl-pentanoic acid, Polymerase basic protein 2
著者Jacobs, M.D.
登録日2016-05-10
公開日2017-03-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Discovery of Novel, Orally Bioavailable beta-Amino Acid Azaindole Inhibitors of Influenza PB2.
ACS Med Chem Lett, 8, 2017
5JUN
DownloadVisualize
BU of 5jun by Molmil
PB2 bound to an azaindole inhibitor
分子名称: (3~{R})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclobutyl)propanoic acid, Polymerase basic protein 2
著者Jacobs, M.D.
登録日2016-05-10
公開日2017-05-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Discovery of Novel, Orally Bioavailable beta-Amino Acid Azaindole Inhibitors of Influenza PB2.
ACS Med Chem Lett, 8, 2017
3G7B
DownloadVisualize
BU of 3g7b by Molmil
Staphylococcus aureus Gyrase B co-complex with METHYL ({5-[4-(4-HYDROXYPIPERIDIN-1-YL)-2-PHENYL-1,3-THIAZOL-5-YL]-1H-PYRAZOL-3-YL}METHYL)CARBAMATE inhibitor
分子名称: DNA gyrase subunit B, methyl ({5-[4-(4-hydroxypiperidin-1-yl)-2-phenyl-1,3-thiazol-5-yl]-1H-pyrazol-3-yl}methyl)carbamate
著者Wei, Y, Charisfon, P.
登録日2009-02-09
公開日2010-02-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of pyrazolthiazoles as novel and potent inhibitors of bacterial gyrase.
Bioorg.Med.Chem.Lett., 20, 2010
1S16
DownloadVisualize
BU of 1s16 by Molmil
Crystal Structure of E. coli Topoisomerase IV ParE 43kDa subunit complexed with ADPNP
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ...
著者Wei, Y, Gross, C.H.
登録日2004-01-05
公開日2004-05-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of Escherichia coli topoisomerase IV ParE subunit (24 and 43 kilodaltons): a single residue dictates differences in novobiocin potency against topoisomerase IV and DNA gyrase.
Antimicrob.Agents Chemother., 48, 2004
1S14
DownloadVisualize
BU of 1s14 by Molmil
Crystal structure of Escherichia coli Topoisomerase IV ParE 24kDa subunit
分子名称: NOVOBIOCIN, Topoisomerase IV subunit B
著者Wei, Y, Gross, C.H.
登録日2004-01-05
公開日2004-05-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of Escherichia coli topoisomerase IV ParE subunit (24 and 43 kilodaltons): a single residue dictates differences in novobiocin potency against topoisomerase IV and DNA gyrase.
Antimicrob.Agents Chemother., 48, 2004
4P1U
DownloadVisualize
BU of 4p1u by Molmil
Influenza A (flu) virus polymerase basic protein 2 (PB2) bound to VX787, an azaindole inhibitor
分子名称: (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, Polymerase basic protein 2
著者Jacobs, M.D.
登録日2014-02-27
公開日2014-07-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2.
J.Med.Chem., 57, 2014
4NCE
DownloadVisualize
BU of 4nce by Molmil
Influenza polymerase basic protein 2 (PB2) bound to 7-methyl-GTP
分子名称: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, 9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid, Polymerase basic protein 2
著者Jacobs, M.D.
登録日2013-10-24
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2.
J.Med.Chem., 57, 2014
4P8O
DownloadVisualize
BU of 4p8o by Molmil
S. aureus gyrase bound to an aminobenzimidazole urea inhibitor
分子名称: 1-ethyl-3-[5-(5-fluoropyridin-3-yl)-7-(pyrimidin-2-yl)-1H-benzimidazol-2-yl]urea, DNA gyrase subunit B
著者Jacobs, M.D.
登録日2014-03-31
公開日2014-10-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Second-generation antibacterial benzimidazole ureas: discovery of a preclinical candidate with reduced metabolic liability.
J.Med.Chem., 57, 2014
3FC1
DownloadVisualize
BU of 3fc1 by Molmil
Crystal structure of p38 kinase bound to pyrimido-pyridazinone inhibitor
分子名称: 5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6H-pyrimido[1,6-b]pyridazin-6-one, CHLORIDE ION, Mitogen-activated protein kinase 14
著者Jacobs, M.D, Bellon, S.
登録日2008-11-20
公開日2008-12-09
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Evaluating the molecular mechanics poisson-boltzmann surface area free energy method using a congeneric series of ligands to p38 MAP kinase.
J.Med.Chem., 48, 2005

221051

件を2024-06-12に公開中

PDB statisticsPDBj update infoContact PDBjnumon